#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:53:49 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293130 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/60/7716035.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7716035
loop_
_publ_author_name
'An, Seonghyeon'
'Han, Jihun'
'Kim, Dongwon'
'Lee, Haeri'
'Jung, Ok-Sang'
_publ_section_title
;
 Coordinating nature of M₆L₁₂ double-stranded
 macrocycles: co-ligand competition of perchlorate, water, and
 acetonitrile depending on metal(II) ions.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9692
_journal_page_last               9699
_journal_paper_doi               10.1039/d4dt00902a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C566 H728 Cl24 Cu12 N56 O96 Si24'
_chemical_formula_weight         12139.44
_space_group_crystal_system      orthorhombic
_space_group_IT_number           45
_space_group_name_Hall           'I 2 -2c'
_space_group_name_H-M_alt        'I b a 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-02-05 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.019(7)
_cell_length_b                   45.420(9)
_cell_length_c                   46.291(9)
_cell_measurement_reflns_used    796362
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      33.749
_cell_measurement_theta_min      0.401
_cell_volume                     73629(3)
_computing_cell_refinement       'Bruker APEX4 software'
_computing_data_collection       'Bruker APEX4 software'
_computing_data_reduction        'Bruker APEX4 software'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Photon II detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.700
_diffrn_reflns_av_R_equivalents  0.0753
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            249895
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.835
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.129
_diffrn_source                   'Ius Microfocus'
_exptl_absorpt_coefficient_mu    0.504
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_description       block
_exptl_crystal_F_000             25504
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details
;
 Flack x determined using 14763 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.024(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.912
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3433
_refine_ls_number_reflns         67735
_refine_ls_number_restraints     3658
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1048P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1528
_refine_ls_wR_factor_ref         0.1731
_reflns_Friedel_coverage         0.972
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                38478
_reflns_number_total             67735
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00902a2.cif
_cod_data_source_block           CuClO42_mDCPPS
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7716032--7716036.cif.
;
_cod_original_cell_volume        73628(25)
_cod_database_code               7716035
_shelx_shelxl_version_number     2019/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.951
_shelx_estimated_absorpt_t_max   0.975
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1, -y+1, z+1/2'
'-x+1, y+1, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C33T C 0.6286(8) 0.4068(7) 0.8392(7) 0.306(10) Uani 1 1 d . U . . .
H33A H 0.648640 0.408577 0.853538 0.459 Uiso 1 1 calc R U . . .
H33B H 0.605689 0.416552 0.846196 0.459 Uiso 1 1 calc R U . . .
H33C H 0.636768 0.416027 0.821339 0.459 Uiso 1 1 calc R U . . .
C1T C 0.8631(3) -0.1400(3) 0.6817(3) 0.208(5) Uani 1 1 d DG U . . .
C2T C 0.8714(3) -0.1111(4) 0.6742(2) 0.196(5) Uani 1 1 d G U . . .
H2T H 0.878603 -0.106503 0.655202 0.236 Uiso 1 1 calc R U . . .
C3T C 0.8692(3) -0.0890(3) 0.6949(4) 0.211(5) Uani 1 1 d G U . . .
H3T H 0.874808 -0.069420 0.689863 0.253 Uiso 1 1 calc R U . . .
C4T C 0.8586(3) -0.0958(3) 0.7231(3) 0.214(5) Uani 1 1 d G U . . .
H4T H 0.857044 -0.080838 0.737058 0.256 Uiso 1 1 calc R U . . .
C5T C 0.8502(3) -0.1247(4) 0.7306(2) 0.211(5) Uani 1 1 d G U . . .
H5T H 0.843075 -0.129339 0.749593 0.253 Uiso 1 1 calc R U . . .
C6T C 0.8525(3) -0.1469(3) 0.7099(4) 0.208(5) Uani 1 1 d G U . . .
H6T H 0.846869 -0.166422 0.714933 0.250 Uiso 1 1 calc R U . . .
C7T C 0.8644(6) -0.1618(5) 0.6578(5) 0.266(8) Uani 1 1 d D U . . .
H7T1 H 0.845801 -0.177236 0.661276 0.399 Uiso 1 1 calc R U . . .
H7T2 H 0.889750 -0.170427 0.656702 0.399 Uiso 1 1 calc R U . . .
H7T3 H 0.858588 -0.152073 0.639648 0.399 Uiso 1 1 calc R U . . .
C8T C 0.7557(4) 0.2087(3) 0.9538(2) 0.231(6) Uani 1 1 d DG U . . .
C9T C 0.7590(4) 0.1783(3) 0.9556(2) 0.223(6) Uani 1 1 d DG U . . .
H9T H 0.738048 0.166208 0.950972 0.267 Uiso 1 1 calc R U . . .
C10T C 0.7933(5) 0.1656(2) 0.9642(2) 0.236(6) Uani 1 1 d G U . . .
H10T H 0.795574 0.145055 0.965426 0.284 Uiso 1 1 calc R U . . .
C11T C 0.8243(4) 0.1835(4) 0.9710(2) 0.235(6) Uani 1 1 d G U . . .
H11T H 0.847503 0.174928 0.976877 0.281 Uiso 1 1 calc R U . . .
C12T C 0.8210(4) 0.2139(4) 0.9693(2) 0.230(6) Uani 1 1 d G U . . .
H12T H 0.841907 0.225953 0.973874 0.275 Uiso 1 1 calc R U . . .
C13T C 0.7866(5) 0.2265(2) 0.9606(2) 0.225(6) Uani 1 1 d DG U . . .
H13T H 0.784382 0.247106 0.959420 0.270 Uiso 1 1 calc R U . . .
C20T C 0.7675(5) 0.0033(4) 0.5157(4) 0.319(8) Uani 1 1 d DG U . . .
H20T H 0.754703 0.011354 0.499690 0.383 Uiso 1 1 calc R U . . .
C21T C 0.7478(4) -0.0017(4) 0.5413(5) 0.304(8) Uani 1 1 d G U . . .
H21T H 0.721674 0.003054 0.542619 0.364 Uiso 1 1 calc R U . . .
C22T C 0.7666(6) -0.0136(4) 0.5650(4) 0.288(7) Uani 1 1 d G U . . .
H22T H 0.753298 -0.016912 0.582336 0.346 Uiso 1 1 calc R U . . .
C23T C 0.8052(6) -0.0205(4) 0.5631(4) 0.290(7) Uani 1 1 d G U . . .
H23T H 0.817951 -0.028576 0.579125 0.347 Uiso 1 1 calc R U . . .
C24T C 0.8249(4) -0.0156(4) 0.5375(4) 0.299(7) Uani 1 1 d DG U . . .
H24T H 0.850980 -0.020276 0.536196 0.359 Uiso 1 1 calc R U . . .
C25T C 0.8060(5) -0.0037(4) 0.5138(4) 0.312(7) Uani 1 1 d DG U . . .
C26T C 0.8289(7) 0.0080(7) 0.4883(3) 0.389(13) Uani 1 1 d D U . . .
H26G H 0.841678 0.026078 0.493894 0.583 Uiso 1 1 calc R U . . .
H26H H 0.811773 0.011925 0.472301 0.583 Uiso 1 1 calc R U . . .
H26I H 0.847681 -0.006510 0.482587 0.583 Uiso 1 1 calc R U . . .
C31T C 0.6040(3) 0.3375(4) 0.7998(3) 0.221(6) Uani 1 1 d G U . . .
H31T H 0.597677 0.331758 0.780836 0.266 Uiso 1 1 calc R U . . .
C32T C 0.6109(3) 0.3669(4) 0.8060(4) 0.230(6) Uani 1 1 d G U . . .
H32T H 0.609256 0.381145 0.791257 0.276 Uiso 1 1 calc R U . . .
C27T C 0.6203(4) 0.3754(3) 0.8339(5) 0.235(6) Uani 1 1 d G U . . .
C28T C 0.6228(3) 0.3544(4) 0.8557(3) 0.234(6) Uani 1 1 d G U . . .
H28T H 0.629131 0.360107 0.874614 0.281 Uiso 1 1 calc R U . . .
C29T C 0.6159(3) 0.3249(4) 0.8495(3) 0.226(6) Uani 1 1 d G U . . .
H29T H 0.617552 0.310720 0.864193 0.272 Uiso 1 1 calc R U . . .
C30T C 0.6065(3) 0.3165(3) 0.8215(4) 0.217(6) Uani 1 1 d G U . . .
H30T H 0.601825 0.296545 0.817305 0.261 Uiso 1 1 calc R U . . .
Cu1 Cu 0.87257(3) 0.05898(2) 0.63885(2) 0.0678(2) Uani 1 1 d . U . . .
Cu2 Cu 0.85519(3) 0.18388(2) 0.51122(2) 0.0676(2) Uani 1 1 d . U . . .
Cl2 Cl 0.87722(6) 0.32475(4) 0.64554(4) 0.0766(5) Uani 1 1 d . U . . .
Si2A Si 0.97293(7) 0.10789(5) 0.55260(5) 0.0745(6) Uani 1 1 d . U . . .
Si2B Si 0.97395(6) 0.26559(5) 0.54491(5) 0.0704(5) Uani 1 1 d . U . . .
Si2C Si 1.00071(7) 0.38183(6) 0.66986(6) 0.0884(7) Uani 1 1 d . U . . .
Si2D Si 1.00005(7) 0.36849(6) 0.84128(6) 0.0870(7) Uani 1 1 d . U . . .
Si2E Si 0.98400(6) 0.21145(5) 0.85115(5) 0.0707(5) Uani 1 1 d . U . . .
Si2F Si 0.98835(7) 0.08747(5) 0.72327(5) 0.0748(6) Uani 1 1 d . U . . .
O2 O 0.83314(17) 0.17618(14) 0.60496(14) 0.0966(17) Uani 1 1 d . U . . .
N2 N 0.8952(3) 0.40526(17) 0.54073(16) 0.097(2) Uani 1 1 d D U . . .
N2A N 0.82866(19) 0.14438(14) 0.51717(14) 0.0744(16) Uani 1 1 d . U . . .
N2B N 0.85685(17) 0.34124(13) 0.55418(12) 0.0638(14) Uani 1 1 d . U . . .
N2C N 0.87665(17) 0.43292(13) 0.71965(14) 0.0686(15) Uani 1 1 d . U . . .
N2D N 0.8576(2) 0.34254(14) 0.88525(16) 0.0814(17) Uani 1 1 d . U . . .
N2E N 0.86200(18) 0.14248(13) 0.84750(13) 0.0692(15) Uani 1 1 d . U . . .
N2F N 0.85452(18) 0.05007(13) 0.67957(13) 0.0681(14) Uani 1 1 d . U . . .
C2 C 0.8701(4) 0.1628(2) 0.6703(2) 0.109(3) Uani 1 1 d . U . . .
H2A H 0.895175 0.171829 0.668939 0.164 Uiso 1 1 calc R U . . .
H2B H 0.862364 0.161804 0.690341 0.164 Uiso 1 1 calc R U . . .
H2C H 0.851846 0.174437 0.659455 0.164 Uiso 1 1 calc R U . . .
C2A C 0.7656(2) 0.07927(17) 0.59774(17) 0.0716(18) Uani 1 1 d . U . . .
C2B C 0.7727(2) 0.24465(18) 0.54426(17) 0.0732(18) Uani 1 1 d . U . . .
C2C C 0.7939(2) 0.40318(16) 0.62830(17) 0.0689(17) Uani 1 1 d . U . . .
C2D C 0.7941(2) 0.41144(18) 0.80751(19) 0.0807(19) Uani 1 1 d . U . . .
C2E C 0.7869(2) 0.24438(17) 0.86302(17) 0.0729(18) Uani 1 1 d . U . . .
C2F C 0.7859(2) 0.08569(16) 0.77485(17) 0.0714(17) Uani 1 1 d . U . . .
Cu3 Cu 0.88812(3) 0.36930(2) 0.57838(2) 0.0688(2) Uani 1 1 d . U . . .
Cl3 Cl 0.88322(6) 0.31371(5) 0.81015(4) 0.0754(5) Uani 1 1 d . U . . .
O3 O 0.86854(18) 0.13865(11) 0.58265(12) 0.0860(16) Uani 1 1 d . U . . .
N3 N 0.8886(2) 0.37212(15) 0.74951(15) 0.0790(18) Uani 1 1 d . U . . .
N3A N 0.88929(18) 0.06202(14) 0.59721(13) 0.0703(15) Uani 1 1 d . U . . .
N3B N 0.88220(17) 0.22339(14) 0.50664(13) 0.0656(14) Uani 1 1 d . U . . .
N3C N 0.91762(17) 0.39438(13) 0.60602(13) 0.0674(14) Uani 1 1 d . U . . .
N3D N 0.91799(19) 0.41880(14) 0.79954(14) 0.0726(15) Uani 1 1 d . U . . .
N3E N 0.90115(18) 0.26006(14) 0.89317(14) 0.0709(15) Uani 1 1 d . U . . .
N3F N 0.91133(17) 0.08542(13) 0.79142(13) 0.0656(14) Uani 1 1 d . U . . .
C3 C 0.9088(6) 0.4201(4) 0.5250(4) 0.204(5) Uani 1 1 d D U . . .
C3A C 0.7424(2) 0.05584(19) 0.6058(2) 0.085(2) Uani 1 1 d . U . . .
H3A H 0.716989 0.054951 0.599396 0.102 Uiso 1 1 calc R U . . .
C3B C 0.7381(2) 0.23510(19) 0.52999(19) 0.082(2) Uani 1 1 d . U . . .
H3B H 0.714911 0.244716 0.533944 0.098 Uiso 1 1 calc R U . . .
C3C C 0.7693(3) 0.4118(2) 0.6068(2) 0.090(2) Uani 1 1 d . U . . .
H3C H 0.745550 0.419950 0.611958 0.108 Uiso 1 1 calc R U . . .
C3D C 0.7735(3) 0.4364(2) 0.7983(2) 0.091(2) Uani 1 1 d . U . . .
H3D H 0.748550 0.439408 0.805268 0.110 Uiso 1 1 calc R U . . .
C3E C 0.7557(3) 0.25574(18) 0.87833(19) 0.084(2) Uani 1 1 d . U . . .
H3E H 0.731471 0.247112 0.876110 0.100 Uiso 1 1 calc R U . . .
C3F C 0.7616(3) 0.0790(2) 0.79795(19) 0.088(2) Uani 1 1 d . U . . .
H3F H 0.736344 0.073175 0.794166 0.105 Uiso 1 1 calc R U . . .
Cu4 Cu 0.89776(3) 0.42240(2) 0.75853(2) 0.0706(2) Uani 1 1 d . U . . .
Cl4 Cl 0.87765(6) 0.15866(4) 0.75501(5) 0.0785(5) Uani 1 1 d . U . . .
O4 O 0.89914(18) 0.17715(16) 0.60728(14) 0.1033(19) Uani 1 1 d . U . . .
N4 N 0.8947(3) 0.07579(17) 0.85831(17) 0.099(2) Uani 1 1 d D U . . .
N4A N 0.90639(19) 0.16375(14) 0.50404(14) 0.0743(16) Uani 1 1 d . U . . .
N4B N 0.93723(18) 0.34987(13) 0.56414(13) 0.0696(15) Uani 1 1 d . U . . .
N4C N 0.95206(18) 0.42097(13) 0.74232(13) 0.0661(14) Uani 1 1 d . U . . .
N4D N 0.9315(2) 0.31760(14) 0.89358(14) 0.0760(16) Uani 1 1 d . U . . .
N4E N 0.94029(19) 0.12926(14) 0.83265(13) 0.0713(15) Uani 1 1 d . U . . .
N4F N 0.92799(18) 0.05585(13) 0.65235(13) 0.0680(15) Uani 1 1 d . U . . .
C4 C 0.9374(8) 0.4362(7) 0.5071(6) 0.343(12) Uani 1 1 d D U . . .
H4A H 0.924241 0.449091 0.493746 0.515 Uiso 1 1 calc R U . . .
H4B H 0.952682 0.422110 0.496417 0.515 Uiso 1 1 calc R U . . .
H4C H 0.953797 0.447732 0.519615 0.515 Uiso 1 1 calc R U . . .
C4A C 0.7570(3) 0.0340(2) 0.62312(19) 0.087(2) Uani 1 1 d . U . . .
H4AA H 0.741655 0.017948 0.628733 0.104 Uiso 1 1 calc R U . . .
C4B C 0.7388(2) 0.21227(19) 0.51083(19) 0.084(2) Uani 1 1 d . U . . .
H4BA H 0.716297 0.206295 0.501435 0.101 Uiso 1 1 calc R U . . .
C4C C 0.7778(3) 0.4092(2) 0.5785(2) 0.095(2) Uani 1 1 d . U . . .
H4CA H 0.760406 0.415151 0.564197 0.114 Uiso 1 1 calc R U . . .
C4D C 0.7889(3) 0.45652(19) 0.7794(2) 0.087(2) Uani 1 1 d . U . . .
H4D H 0.775639 0.473789 0.774431 0.104 Uiso 1 1 calc R U . . .
C4E C 0.7601(3) 0.27907(19) 0.89631(19) 0.089(2) Uani 1 1 d . U . . .
H4E H 0.739153 0.286493 0.906698 0.107 Uiso 1 1 calc R U . . .
C4F C 0.7739(3) 0.0808(2) 0.82570(19) 0.094(2) Uani 1 1 d . U . . .
H4F H 0.757316 0.075716 0.840884 0.112 Uiso 1 1 calc R U . . .
Cu5 Cu 0.87858(3) 0.30094(2) 0.88936(2) 0.0739(3) Uani 1 1 d . U . . .
Cl5 Cl 0.89069(7) -0.02474(5) 0.63045(6) 0.0949(7) Uani 1 1 d . U . . .
O5 O 0.89167(18) 0.32926(13) 0.61672(12) 0.0876(16) Uani 1 1 d . U . . .
C5 C 0.8819(3) 0.3494(2) 0.74135(19) 0.087(2) Uani 1 1 d . U . . .
C5A C 0.7952(2) 0.03603(18) 0.63230(18) 0.079(2) Uani 1 1 d . U . . .
H5A H 0.805299 0.020847 0.643783 0.094 Uiso 1 1 calc R U . . .
C5B C 0.7730(2) 0.19798(17) 0.50535(18) 0.0755(19) Uani 1 1 d . U . . .
H5B H 0.773593 0.182458 0.491926 0.091 Uiso 1 1 calc R U . . .
C5C C 0.8127(3) 0.39739(19) 0.57109(19) 0.084(2) Uani 1 1 d . U . . .
H5C H 0.819306 0.395675 0.551476 0.101 Uiso 1 1 calc R U . . .
C5D C 0.8229(3) 0.45089(19) 0.76835(19) 0.084(2) Uani 1 1 d . U . . .
H5D H 0.832873 0.464244 0.754800 0.100 Uiso 1 1 calc R U . . .
C5E C 0.7961(3) 0.29194(18) 0.89925(18) 0.085(2) Uani 1 1 d . U . . .
H5E H 0.799101 0.308144 0.911681 0.102 Uiso 1 1 calc R U . . .
C5F C 0.8102(3) 0.09000(19) 0.83167(18) 0.081(2) Uani 1 1 d . U . . .
H5F H 0.818348 0.091237 0.850983 0.097 Uiso 1 1 calc R U . . .
Cu6 Cu 0.88765(3) 0.11325(2) 0.82064(2) 0.0683(2) Uani 1 1 d . U . . .
Cl6 Cl 0.83001(10) 0.17873(9) 0.43474(7) 0.1285(10) Uani 1 1 d . U . . .
O6 O 0.88369(17) 0.35101(11) 0.66265(12) 0.0829(15) Uani 1 1 d . U . . .
C6 C 0.8715(4) 0.3193(2) 0.7302(2) 0.112(3) Uani 1 1 d . U . . .
H6A H 0.844009 0.317731 0.728497 0.168 Uiso 1 1 calc R U . . .
H6B H 0.880782 0.304445 0.743566 0.168 Uiso 1 1 calc R U . . .
H6C H 0.883168 0.316282 0.711429 0.168 Uiso 1 1 calc R U . . .
C6A C 0.8032(2) 0.14074(17) 0.53865(17) 0.0717(18) Uani 1 1 d . U . . .
H6AA H 0.797734 0.157011 0.550515 0.086 Uiso 1 1 calc R U . . .
C6B C 0.8321(2) 0.32199(15) 0.56620(17) 0.0645(17) Uani 1 1 d . U . . .
H6BA H 0.830427 0.321362 0.586464 0.077 Uiso 1 1 calc R U . . .
C6C C 0.8473(2) 0.41824(16) 0.70785(17) 0.0671(17) Uani 1 1 d . U . . .
H6CA H 0.839113 0.401048 0.717327 0.081 Uiso 1 1 calc R U . . .
C6D C 0.8308(2) 0.34889(17) 0.86523(18) 0.0759(19) Uani 1 1 d . U . . .
H6D H 0.820733 0.333267 0.854309 0.091 Uiso 1 1 calc R U . . .
C6E C 0.8386(2) 0.16353(17) 0.83682(17) 0.0691(17) Uani 1 1 d . U . . .
H6E H 0.834981 0.164481 0.816716 0.083 Uiso 1 1 calc R U . . .
C6F C 0.8270(2) 0.06669(15) 0.69243(16) 0.0630(16) Uani 1 1 d . U . . .
H6F H 0.817635 0.083128 0.682359 0.076 Uiso 1 1 calc R U . . .
Cl7 Cl 0.90812(8) 0.50806(5) 0.77138(6) 0.1038(7) Uani 1 1 d . U . . .
O7 O 0.83632(18) 0.31985(14) 0.64270(16) 0.1059(19) Uani 1 1 d . U . . .
C7 C 0.9068(6) 0.0639(4) 0.8781(3) 0.206(5) Uani 1 1 d D U . . .
C7A C 0.7843(2) 0.11435(18) 0.54439(19) 0.0793(19) Uani 1 1 d . U . . .
C7B C 0.8090(2) 0.30318(17) 0.55050(17) 0.0709(17) Uani 1 1 d . U . . .
C7C C 0.8277(2) 0.42620(16) 0.68278(17) 0.0656(16) Uani 1 1 d . U . . .
C7D C 0.8170(2) 0.37734(18) 0.8597(2) 0.0815(19) Uani 1 1 d . U . . .
C7E C 0.8194(2) 0.18397(17) 0.85423(17) 0.0722(17) Uani 1 1 d . U . . .
C7F C 0.8124(2) 0.06086(15) 0.71907(15) 0.0606(15) Uani 1 1 d . U . . .
Cl8 Cl 0.86209(9) 0.31010(7) 0.96884(6) 0.1061(8) Uani 1 1 d . U . . .
O8 O 0.8951(2) 0.30022(13) 0.65867(14) 0.114(2) Uani 1 1 d . U . . .
C8 C 0.9304(8) 0.0513(5) 0.9026(4) 0.277(10) Uani 1 1 d D U . . .
H8A H 0.920902 0.031862 0.907582 0.415 Uiso 1 1 calc R U . . .
H8B H 0.928622 0.064091 0.919277 0.415 Uiso 1 1 calc R U . . .
H8C H 0.956911 0.049748 0.896586 0.415 Uiso 1 1 calc R U . . .
C8A C 0.7960(3) 0.0901(2) 0.5266(2) 0.091(2) Uani 1 1 d . U . . .
H8AA H 0.785794 0.071214 0.529904 0.109 Uiso 1 1 calc R U . . .
C8B C 0.8113(2) 0.30560(18) 0.52140(17) 0.0736(19) Uani 1 1 d . U . . .
H8BA H 0.795469 0.293686 0.509880 0.088 Uiso 1 1 calc R U . . .
C8C C 0.8417(2) 0.45153(17) 0.66864(18) 0.0734(19) Uani 1 1 d . U . . .
H8CA H 0.829937 0.458221 0.651588 0.088 Uiso 1 1 calc R U . . .
C8D C 0.8341(3) 0.3993(2) 0.8768(2) 0.096(2) Uani 1 1 d . U . . .
H8D H 0.826484 0.419050 0.874560 0.115 Uiso 1 1 calc R U . . .
C8E C 0.8253(3) 0.18059(19) 0.88444(18) 0.084(2) Uani 1 1 d . U . . .
H8E H 0.813008 0.193479 0.897314 0.100 Uiso 1 1 calc R U . . .
C8F C 0.8254(2) 0.03582(16) 0.73289(16) 0.0676(17) Uani 1 1 d . U . . .
H8F H 0.815920 0.030826 0.751234 0.081 Uiso 1 1 calc R U . . .
Cl9 Cl 0.85295(9) 0.50353(7) 0.59978(8) 0.1215(10) Uani 1 1 d . U . . .
O9 O 0.88590(17) 0.29695(12) 0.83684(11) 0.0821(15) Uani 1 1 d . U . . .
C9A C 0.8210(3) 0.09406(19) 0.5054(2) 0.095(2) Uani 1 1 d . U . . .
H9A H 0.827881 0.078030 0.493624 0.114 Uiso 1 1 calc R U . . .
C9B C 0.8357(2) 0.32477(19) 0.50821(18) 0.080(2) Uani 1 1 d . U . . .
H9B H 0.837315 0.325653 0.487960 0.096 Uiso 1 1 calc R U . . .
C9C C 0.8729(2) 0.46660(18) 0.68008(19) 0.077(2) Uani 1 1 d . U . . .
H9C H 0.882535 0.483442 0.670804 0.092 Uiso 1 1 calc R U . . .
C9D C 0.8614(3) 0.3923(2) 0.8964(2) 0.095(2) Uani 1 1 d . U . . .
H9D H 0.873662 0.407290 0.906896 0.114 Uiso 1 1 calc R U . . .
C9E C 0.8486(3) 0.15896(19) 0.89515(17) 0.082(2) Uani 1 1 d . U . . .
H9E H 0.851889 0.156636 0.915171 0.099 Uiso 1 1 calc R U . . .
C9F C 0.8521(2) 0.01834(15) 0.71992(17) 0.0666(17) Uani 1 1 d . U . . .
H9F H 0.860819 0.001184 0.729174 0.080 Uiso 1 1 calc R U . . .
Cl10 Cl 0.94544(13) 0.12403(8) 0.93263(8) 0.1431(12) Uani 1 1 d . U . . .
O10 O 0.84630(18) 0.31056(14) 0.79862(14) 0.0980(17) Uani 1 1 d . U . . .
C10A C 0.8371(3) 0.12109(19) 0.5003(2) 0.086(2) Uani 1 1 d . U . . .
H10A H 0.854283 0.123413 0.484842 0.103 Uiso 1 1 calc R U . . .
C10B C 0.8578(2) 0.34257(18) 0.52495(17) 0.0736(19) Uani 1 1 d . U . . .
H10B H 0.874162 0.356182 0.515973 0.088 Uiso 1 1 calc R U . . .
C10C C 0.8893(2) 0.45653(17) 0.70497(17) 0.0708(18) Uani 1 1 d . U . . .
H10C H 0.910611 0.466682 0.712244 0.085 Uiso 1 1 calc R U . . .
C10D C 0.8708(3) 0.36493(19) 0.9008(2) 0.086(2) Uani 1 1 d . U . . .
H10D H 0.887928 0.360759 0.915841 0.103 Uiso 1 1 calc R U . . .
C10E C 0.8672(2) 0.14044(17) 0.87565(17) 0.0703(18) Uani 1 1 d . U . . .
H10E H 0.884038 0.126055 0.882809 0.084 Uiso 1 1 calc R U . . .
C10F C 0.8660(2) 0.02592(16) 0.69355(17) 0.0663(17) Uani 1 1 d . U . . .
H10F H 0.884413 0.013741 0.684824 0.080 Uiso 1 1 calc R U . . .
Cl11 Cl 0.82445(13) -0.01430(11) 0.80330(9) 0.1768(19) Uani 1 1 d . U . . .
O11 O 0.91042(19) 0.30320(16) 0.79047(13) 0.105(2) Uani 1 1 d . U . . .
C11A C 0.7437(3) 0.1437(2) 0.5961(2) 0.094(2) Uani 1 1 d . U . . .
H11A H 0.768618 0.146910 0.605736 0.112 Uiso 1 1 calc R U . . .
C11B C 0.7914(2) 0.26789(18) 0.60605(18) 0.0780(19) Uani 1 1 d . U . . .
H11B H 0.791523 0.286533 0.617128 0.094 Uiso 1 1 calc R U . . .
C11C C 0.7828(3) 0.36754(17) 0.68239(17) 0.0774(19) Uani 1 1 d . U . . .
H11C H 0.808250 0.358554 0.679304 0.093 Uiso 1 1 calc R U . . .
C11D C 0.7626(3) 0.35002(19) 0.8141(2) 0.092(2) Uani 1 1 d . U . . .
H11D H 0.785280 0.343885 0.802817 0.110 Uiso 1 1 calc R U . . .
C11E C 0.7960(2) 0.21960(18) 0.80076(18) 0.0803(19) Uani 1 1 d . U . . .
H11E H 0.793635 0.201123 0.789554 0.096 Uiso 1 1 calc R U . . .
C11F C 0.7773(2) 0.12385(17) 0.72236(18) 0.0772(19) Uani 1 1 d . U . . .
H11F H 0.804421 0.129788 0.724052 0.093 Uiso 1 1 calc R U . . .
Cl12 Cl 0.9176(3) 0.35821(18) 0.4583(2) 0.361(6) Uani 1 1 d D U . . .
O12 O 0.88982(18) 0.34456(13) 0.81672(13) 0.0904(16) Uani 1 1 d . U . . .
C12A C 0.7327(3) 0.1724(2) 0.5801(3) 0.113(3) Uani 1 1 d . U . . .
H12A H 0.724969 0.167999 0.560185 0.135 Uiso 1 1 calc R U . . .
H12B H 0.754407 0.185962 0.579547 0.135 Uiso 1 1 calc R U . . .
C12B C 0.8312(3) 0.25452(18) 0.60931(18) 0.083(2) Uani 1 1 d . U . . .
H12C H 0.851046 0.269567 0.607012 0.100 Uiso 1 1 calc R U . . .
H12D H 0.835434 0.238884 0.595070 0.100 Uiso 1 1 calc R U . . .
C12C C 0.7710(3) 0.3606(2) 0.7133(2) 0.107(3) Uani 1 1 d . U . . .
H12E H 0.749801 0.373231 0.719382 0.128 Uiso 1 1 calc R U . . .
H12F H 0.792465 0.363395 0.726590 0.128 Uiso 1 1 calc R U . . .
C12D C 0.7502(3) 0.3233(2) 0.8321(2) 0.105(3) Uani 1 1 d . U . . .
H12G H 0.769794 0.307924 0.831285 0.126 Uiso 1 1 calc R U . . .
H12H H 0.746610 0.329049 0.852323 0.126 Uiso 1 1 calc R U . . .
C12E C 0.8344(3) 0.23228(19) 0.79399(19) 0.084(2) Uani 1 1 d . U . . .
H12I H 0.840471 0.248470 0.807226 0.101 Uiso 1 1 calc R U . . .
H12J H 0.854301 0.217178 0.795738 0.101 Uiso 1 1 calc R U . . .
C12F C 0.7640(3) 0.1329(2) 0.6932(2) 0.101(2) Uani 1 1 d . U . . .
H12K H 0.783748 0.128827 0.678783 0.121 Uiso 1 1 calc R U . . .
H12L H 0.740869 0.121990 0.687962 0.121 Uiso 1 1 calc R U . . .
O13 O 0.89253(19) 0.15252(13) 0.78315(11) 0.0930(17) Uani 1 1 d . U . . .
C13A C 0.6989(4) 0.1864(3) 0.5969(3) 0.139(3) Uani 1 1 d D U . . .
H13A H 0.703233 0.207517 0.599910 0.166 Uiso 1 1 calc R U . . .
H13B H 0.674866 0.183794 0.586387 0.166 Uiso 1 1 calc R U . . .
C13B C 0.8311(3) 0.2421(2) 0.6401(2) 0.100(2) Uani 1 1 d . U . . .
H13C H 0.847924 0.224871 0.641304 0.120 Uiso 1 1 calc R U . . .
H13D H 0.840337 0.256977 0.653763 0.120 Uiso 1 1 calc R U . . .
C13C C 0.7587(4) 0.3283(2) 0.7124(3) 0.125(3) Uani 1 1 d . U . . .
H13E H 0.779086 0.315751 0.720162 0.150 Uiso 1 1 calc R U . . .
H13F H 0.735794 0.325409 0.724200 0.150 Uiso 1 1 calc R U . . .
C13D C 0.7135(3) 0.3120(2) 0.8198(3) 0.117(3) Uani 1 1 d . U . . .
H13G H 0.712629 0.290489 0.820432 0.140 Uiso 1 1 calc R U . . .
H13H H 0.691575 0.319899 0.830502 0.140 Uiso 1 1 calc R U . . .
C13E C 0.8320(3) 0.2432(2) 0.7637(2) 0.099(2) Uani 1 1 d . U . . .
H13I H 0.836052 0.227191 0.749804 0.119 Uiso 1 1 calc R U . . .
H13J H 0.850706 0.258796 0.760068 0.119 Uiso 1 1 calc R U . . .
C13F C 0.7560(4) 0.1644(2) 0.6945(3) 0.122(3) Uani 1 1 d . U . . .
H13K H 0.731927 0.168699 0.684569 0.146 Uiso 1 1 calc R U . . .
H13L H 0.776463 0.175393 0.684873 0.146 Uiso 1 1 calc R U . . .
O14 O 0.87918(17) 0.13250(12) 0.73745(12) 0.0840(15) Uani 1 1 d . U . . .
C14A C 0.6977(4) 0.1711(3) 0.6242(3) 0.155(4) Uani 1 1 d D U . . .
H14A H 0.671450 0.170609 0.631424 0.187 Uiso 1 1 calc R U . . .
H14B H 0.713550 0.181510 0.638346 0.187 Uiso 1 1 calc R U . . .
C14B C 0.7920(3) 0.2338(3) 0.6471(2) 0.117(3) Uani 1 1 d . U . . .
H14Z H 0.784593 0.241843 0.665896 0.141 Uiso 1 1 calc R U . . .
H14C H 0.789515 0.212303 0.647795 0.141 Uiso 1 1 calc R U . . .
C14C C 0.7507(4) 0.3201(2) 0.6820(2) 0.119(3) Uani 1 1 d . U . . .
H14D H 0.725091 0.311671 0.680121 0.143 Uiso 1 1 calc R U . . .
H14E H 0.769463 0.305807 0.674941 0.143 Uiso 1 1 calc R U . . .
C14D C 0.7137(3) 0.3228(3) 0.7898(3) 0.118(3) Uani 1 1 d . U . . .
H14F H 0.687786 0.323302 0.781722 0.142 Uiso 1 1 calc R U . . .
H14G H 0.729876 0.310492 0.777442 0.142 Uiso 1 1 calc R U . . .
C14E C 0.7918(3) 0.2549(2) 0.7619(3) 0.121(3) Uani 1 1 d . U . . .
H14H H 0.780284 0.249168 0.743387 0.146 Uiso 1 1 calc R U . . .
H14I H 0.792083 0.276428 0.762934 0.146 Uiso 1 1 calc R U . . .
C14F C 0.7534(3) 0.1735(2) 0.7253(3) 0.113(3) Uani 1 1 d . U . . .
H14J H 0.729665 0.184341 0.728884 0.136 Uiso 1 1 calc R U . . .
H14K H 0.775080 0.185898 0.730683 0.136 Uiso 1 1 calc R U . . .
C14T C 0.7184(5) 0.2223(5) 0.9459(4) 0.277(9) Uani 1 1 d D U . . .
H14L H 0.721211 0.243537 0.944968 0.415 Uiso 1 1 calc R U . . .
H14M H 0.699383 0.217287 0.960292 0.415 Uiso 1 1 calc R U . . .
H14N H 0.710289 0.214972 0.927161 0.415 Uiso 1 1 calc R U . . .
O15 O 0.8957(3) 0.18225(16) 0.74188(15) 0.132(3) Uani 1 1 d . U . . .
C15A C 0.7124(3) 0.1401(3) 0.6202(2) 0.117(3) Uani 1 1 d . U . . .
H15A H 0.691926 0.126851 0.613914 0.141 Uiso 1 1 calc R U . . .
H15B H 0.723476 0.132508 0.638186 0.141 Uiso 1 1 calc R U . . .
C15B C 0.7654(3) 0.2469(2) 0.6223(2) 0.106(3) Uani 1 1 d . U . . .
H15C H 0.756000 0.231282 0.609544 0.127 Uiso 1 1 calc R U . . .
H15D H 0.743492 0.257401 0.630557 0.127 Uiso 1 1 calc R U . . .
C15C C 0.7537(3) 0.3489(2) 0.6655(2) 0.102(2) Uani 1 1 d . U . . .
H15E H 0.728912 0.358771 0.664703 0.122 Uiso 1 1 calc R U . . .
H15F H 0.762661 0.345348 0.645738 0.122 Uiso 1 1 calc R U . . .
C15D C 0.7305(3) 0.3547(2) 0.7928(2) 0.107(3) Uani 1 1 d . U . . .
H15G H 0.740109 0.362036 0.774307 0.128 Uiso 1 1 calc R U . . .
H15H H 0.711438 0.368431 0.800415 0.128 Uiso 1 1 calc R U . . .
C15E C 0.7685(3) 0.2425(2) 0.7865(2) 0.110(3) Uani 1 1 d . U . . .
H15I H 0.745236 0.232950 0.779408 0.132 Uiso 1 1 calc R U . . .
H15J H 0.761445 0.257986 0.800262 0.132 Uiso 1 1 calc R U . . .
C15F C 0.7538(3) 0.1443(2) 0.7425(2) 0.098(2) Uani 1 1 d . U . . .
H15K H 0.727958 0.136651 0.745538 0.117 Uiso 1 1 calc R U . . .
H15L H 0.766393 0.146714 0.761316 0.117 Uiso 1 1 calc R U . . .
C15T C 1.000000 0.500000 0.6411(4) 0.118(4) Uani 1 2 d DS TU P . .
O16 O 0.8369(2) 0.16676(17) 0.76002(18) 0.130(2) Uani 1 1 d . U . . .
C16A C 0.7008(3) 0.0990(2) 0.5566(2) 0.114(3) Uani 1 1 d D U . . .
H16A H 0.683700 0.094082 0.572920 0.136 Uiso 1 1 calc R U . . .
C16B C 0.7257(3) 0.29570(19) 0.57093(17) 0.087(2) Uani 1 1 d D U . . .
H16B H 0.706563 0.280473 0.575881 0.105 Uiso 1 1 calc R U . . .
C16C C 0.7417(2) 0.42752(18) 0.67737(18) 0.0782(19) Uani 1 1 d . U . . .
H16C H 0.719205 0.416362 0.670447 0.094 Uiso 1 1 calc R U . . .
C16D C 0.7354(3) 0.40058(19) 0.8550(2) 0.106(2) Uani 1 1 d D U . . .
H16D H 0.714326 0.403858 0.841148 0.127 Uiso 1 1 calc R U . . .
C16E C 0.7355(3) 0.1931(2) 0.8432(2) 0.100(2) Uani 1 1 d . U . . .
H16E H 0.715927 0.207906 0.837947 0.120 Uiso 1 1 calc R U . . .
C16F C 0.7258(2) 0.0677(2) 0.72806(17) 0.0796(19) Uani 1 1 d . U . . .
H16F H 0.705959 0.080693 0.736364 0.095 Uiso 1 1 calc R U . . .
C16T C 0.9684(3) 0.5091(2) 0.6570(3) 0.117(3) Uani 1 1 d D U . . .
H16T H 0.946361 0.515602 0.647314 0.140 Uiso 1 1 calc R U . . .
O17 O 0.87005(19) 0.00248(13) 0.63071(14) 0.0996(18) Uani 1 1 d . U . . .
C17A C 0.6988(4) 0.0736(3) 0.5367(3) 0.148(4) Uani 1 1 d D U . . .
H17A H 0.702795 0.055080 0.547015 0.177 Uiso 1 1 calc R U . . .
H17B H 0.717842 0.075366 0.521275 0.177 Uiso 1 1 calc R U . . .
C17B C 0.7134(3) 0.3100(2) 0.5432(2) 0.103(3) Uani 1 1 d D U . . .
H17C H 0.730254 0.304324 0.527265 0.124 Uiso 1 1 calc R U . . .
H17D H 0.687114 0.304657 0.538362 0.124 Uiso 1 1 calc R U . . .
C17C C 0.7394(3) 0.4578(2) 0.6653(2) 0.096(2) Uani 1 1 d . U . . .
H17E H 0.728621 0.457376 0.645772 0.115 Uiso 1 1 calc R U . . .
H17F H 0.764847 0.466738 0.664441 0.115 Uiso 1 1 calc R U . . .
C17D C 0.7428(3) 0.4298(2) 0.8707(3) 0.125(3) Uani 1 1 d D U . . .
H17G H 0.767427 0.429302 0.880779 0.149 Uiso 1 1 calc R U . . .
H17H H 0.742954 0.446251 0.856997 0.149 Uiso 1 1 calc R U . . .
C17E C 0.7265(4) 0.1816(2) 0.8720(3) 0.135(3) Uani 1 1 d D U . . .
H17I H 0.703620 0.191009 0.879927 0.162 Uiso 1 1 calc R U . . .
H17J H 0.747862 0.184710 0.885387 0.162 Uiso 1 1 calc R U . . .
C17F C 0.7205(3) 0.0363(2) 0.7415(2) 0.103(3) Uani 1 1 d . U . . .
H17L H 0.744996 0.026025 0.743077 0.124 Uiso 1 1 calc R U . . .
H17M H 0.708884 0.037563 0.760766 0.124 Uiso 1 1 calc R U . . .
C17T C 0.9692(3) 0.5085(2) 0.6875(3) 0.122(3) Uani 1 1 d . U . . .
H17T H 0.947441 0.514274 0.697945 0.146 Uiso 1 1 calc R U . . .
O18 O 0.9099(3) -0.02784(19) 0.65840(19) 0.146(3) Uani 1 1 d . U . . .
C18A C 0.6581(4) 0.0754(3) 0.5244(4) 0.177(4) Uani 1 1 d D U . . .
H18A H 0.657250 0.067537 0.504662 0.212 Uiso 1 1 calc R U . . .
H18B H 0.640235 0.064176 0.536424 0.212 Uiso 1 1 calc R U . . .
C18B C 0.7167(5) 0.3420(2) 0.5495(3) 0.144(3) Uani 1 1 d D U . . .
H18C H 0.698628 0.353233 0.537579 0.172 Uiso 1 1 calc R U . . .
H18D H 0.742576 0.349029 0.545428 0.172 Uiso 1 1 calc R U . . .
C18C C 0.7130(3) 0.4754(2) 0.6861(2) 0.106(3) Uani 1 1 d . U . . .
H18E H 0.720354 0.496200 0.686561 0.127 Uiso 1 1 calc R U . . .
H18F H 0.686293 0.473966 0.679936 0.127 Uiso 1 1 calc R U . . .
C18D C 0.7107(4) 0.4330(3) 0.8918(3) 0.163(4) Uani 1 1 d D U . . .
H18G H 0.689787 0.444351 0.883263 0.195 Uiso 1 1 calc R U . . .
H18H H 0.719438 0.442981 0.909319 0.195 Uiso 1 1 calc R U . . .
C18E C 0.7198(5) 0.1487(3) 0.8668(3) 0.176(4) Uani 1 1 d D U . . .
H18I H 0.743812 0.137779 0.868423 0.211 Uiso 1 1 calc R U . . .
H18J H 0.701679 0.140849 0.881000 0.211 Uiso 1 1 calc R U . . .
C18F C 0.6940(4) 0.0206(3) 0.7205(3) 0.131(3) Uani 1 1 d . U . . .
H18Z H 0.703816 0.000762 0.716636 0.157 Uiso 1 1 calc R U . . .
H18Y H 0.668577 0.018687 0.729103 0.157 Uiso 1 1 calc R U . . .
C18T C 1.000000 0.500000 0.7017(4) 0.124(4) Uani 1 2 d S TU P . .
H18T H 0.999999 0.500002 0.722019 0.149 Uiso 1 2 calc R U P . .
O19 O 0.8654(3) -0.04708(18) 0.6268(2) 0.165(3) Uani 1 1 d . U . . .
C19A C 0.6482(4) 0.1073(3) 0.5246(4) 0.174(4) Uani 1 1 d D U . . .
H19A H 0.624143 0.110487 0.534911 0.209 Uiso 1 1 calc R U . . .
H19B H 0.645418 0.114616 0.504810 0.209 Uiso 1 1 calc R U . . .
C19B C 0.7073(5) 0.3455(3) 0.5814(3) 0.162(4) Uani 1 1 d D U . . .
H19C H 0.718838 0.363416 0.589301 0.194 Uiso 1 1 calc R U . . .
H19D H 0.679604 0.346171 0.584515 0.194 Uiso 1 1 calc R U . . .
C19C C 0.7178(3) 0.4624(2) 0.7140(2) 0.109(3) Uani 1 1 d . U . . .
H19E H 0.692925 0.459950 0.723352 0.131 Uiso 1 1 calc R U . . .
H19F H 0.733595 0.475169 0.726156 0.131 Uiso 1 1 calc R U . . .
C19D C 0.6978(5) 0.4021(3) 0.8986(3) 0.161(4) Uani 1 1 d D U . . .
H19G H 0.670336 0.400001 0.895009 0.194 Uiso 1 1 calc R U . . .
H19H H 0.702743 0.397463 0.918978 0.194 Uiso 1 1 calc R U . . .
C19E C 0.7038(4) 0.1461(3) 0.8368(3) 0.162(4) Uani 1 1 d D U . . .
H19I H 0.677450 0.153293 0.835463 0.194 Uiso 1 1 calc R U . . .
H19J H 0.705272 0.125935 0.829285 0.194 Uiso 1 1 calc R U . . .
C19F C 0.6914(4) 0.0369(3) 0.6938(3) 0.135(3) Uani 1 1 d . U . . .
H19L H 0.664990 0.042950 0.690319 0.162 Uiso 1 1 calc R U . . .
H19M H 0.699745 0.024535 0.677591 0.162 Uiso 1 1 calc R U . . .
C19T C 1.000000 0.500000 0.6091(5) 0.182(7) Uani 1 2 d S TU P . .
H19N H 0.990084 0.518627 0.602143 0.273 Uiso 0.5 1 calc R U P . .
H19O H 0.984035 0.484066 0.602143 0.273 Uiso 0.5 1 calc R U P . .
H19P H 1.025881 0.497307 0.602143 0.273 Uiso 0.5 1 calc R U P . .
O20 O 0.9168(3) -0.0235(2) 0.6068(2) 0.164(3) Uani 1 1 d . U . . .
C20A C 0.6804(4) 0.1231(3) 0.5397(3) 0.163(4) Uani 1 1 d D U . . .
H20A H 0.670536 0.138354 0.552747 0.196 Uiso 1 1 calc R U . . .
H20B H 0.697689 0.132349 0.525715 0.196 Uiso 1 1 calc R U . . .
C20B C 0.7237(3) 0.3197(2) 0.5939(2) 0.119(3) Uani 1 1 d D U . . .
H20C H 0.708040 0.312988 0.610178 0.143 Uiso 1 1 calc R U . . .
H20D H 0.749388 0.324053 0.601123 0.143 Uiso 1 1 calc R U . . .
C20C C 0.7373(3) 0.4321(2) 0.71056(19) 0.092(2) Uani 1 1 d . U . . .
H20E H 0.721481 0.416530 0.719015 0.110 Uiso 1 1 calc R U . . .
H20F H 0.762293 0.432011 0.720058 0.110 Uiso 1 1 calc R U . . .
C20D C 0.7203(4) 0.3814(2) 0.8791(3) 0.135(3) Uani 1 1 d D U . . .
H20G H 0.741335 0.372232 0.889767 0.162 Uiso 1 1 calc R U . . .
H20H H 0.703738 0.365899 0.871401 0.162 Uiso 1 1 calc R U . . .
C20E C 0.7327(3) 0.1671(2) 0.8217(3) 0.124(3) Uani 1 1 d . U . . .
H20I H 0.757550 0.157555 0.819055 0.149 Uiso 1 1 calc R U . . .
H20J H 0.723127 0.173664 0.802864 0.149 Uiso 1 1 calc R U . . .
C20F C 0.7172(3) 0.0639(2) 0.6963(2) 0.103(3) Uani 1 1 d . U . . .
H20K H 0.740842 0.061000 0.685370 0.123 Uiso 1 1 calc R U . . .
H20L H 0.704155 0.081412 0.688754 0.123 Uiso 1 1 calc R U . . .
O21 O 0.8415(3) 0.1822(2) 0.46091(14) 0.141(3) Uani 1 1 d . U . . .
C21A C 0.9167(2) 0.08124(16) 0.58960(16) 0.0658(17) Uani 1 1 d . U . . .
H21A H 0.926648 0.093828 0.603859 0.079 Uiso 1 1 calc R U . . .
C21B C 0.9115(2) 0.23127(16) 0.52354(15) 0.0630(17) Uani 1 1 d . U . . .
H21B H 0.918890 0.218013 0.538078 0.076 Uiso 1 1 calc R U . . .
C21C C 0.9433(2) 0.38287(17) 0.62552(17) 0.0716(18) Uani 1 1 d . U . . .
H21C H 0.947165 0.362389 0.625311 0.086 Uiso 1 1 calc R U . . .
C21D C 0.9436(2) 0.39844(17) 0.80638(17) 0.0738(19) Uani 1 1 d . U . . .
H21D H 0.950681 0.384986 0.791916 0.089 Uiso 1 1 calc R U . . .
C21E C 0.9274(2) 0.25016(18) 0.87450(16) 0.0712(18) Uani 1 1 d . U . . .
H21E H 0.934904 0.262671 0.859358 0.085 Uiso 1 1 calc R U . . .
C21F C 0.9355(2) 0.09371(17) 0.77058(16) 0.0668(17) Uani 1 1 d . U . . .
H21F H 0.942603 0.113655 0.770117 0.080 Uiso 1 1 calc R U . . .
O22 O 0.8545(5) 0.1527(4) 0.4275(4) 0.284(7) Uani 1 1 d . U . . .
C22A C 0.9313(2) 0.08343(17) 0.56138(17) 0.0728(18) Uani 1 1 d . U . . .
C22B C 0.9311(2) 0.25667(16) 0.52142(16) 0.0676(17) Uani 1 1 d . U . . .
C22C C 0.9633(2) 0.39882(17) 0.64489(18) 0.0744(18) Uani 1 1 d . U . . .
C22D C 0.9608(2) 0.39546(18) 0.83369(18) 0.0788(19) Uani 1 1 d . U . . .
C22E C 0.9441(2) 0.22233(17) 0.87621(17) 0.0715(17) Uani 1 1 d . U . . .
C22F C 0.9511(2) 0.07529(17) 0.74936(16) 0.0673(17) Uani 1 1 d . U . . .
O23 O 0.7929(3) 0.1663(3) 0.4343(3) 0.229(5) Uani 1 1 d . U . . .
C23A C 0.9140(3) 0.0649(2) 0.5410(2) 0.092(2) Uani 1 1 d . U . . .
H23A H 0.922056 0.065797 0.521633 0.110 Uiso 1 1 calc R U . . .
C23B C 0.9200(2) 0.27616(18) 0.49898(17) 0.0763(19) Uani 1 1 d . U . . .
H23B H 0.933101 0.294004 0.496202 0.092 Uiso 1 1 calc R U . . .
C23C C 0.9575(2) 0.42918(18) 0.6445(2) 0.084(2) Uani 1 1 d . U . . .
H23C H 0.972071 0.441371 0.656704 0.101 Uiso 1 1 calc R U . . .
C23D C 0.9486(3) 0.4156(2) 0.8548(2) 0.091(2) Uani 1 1 d . U . . .
H23D H 0.959179 0.414765 0.873433 0.109 Uiso 1 1 calc R U . . .
C23E C 0.9320(2) 0.20388(18) 0.89860(16) 0.0732(19) Uani 1 1 d . U . . .
H23E H 0.941341 0.184574 0.900355 0.088 Uiso 1 1 calc R U . . .
C23F C 0.9377(2) 0.04706(17) 0.75034(18) 0.0751(19) Uani 1 1 d . U . . .
H23F H 0.946208 0.033660 0.736255 0.090 Uiso 1 1 calc R U . . .
O24 O 0.8314(5) 0.1997(5) 0.4171(4) 0.306(8) Uani 1 1 d . U . . .
C24A C 0.8853(3) 0.0453(2) 0.5487(2) 0.094(2) Uani 1 1 d D U . . .
H24A H 0.873598 0.033222 0.534728 0.113 Uiso 1 1 calc R U . . .
C24B C 0.8899(3) 0.26869(19) 0.48134(19) 0.080(2) Uani 1 1 d . U . . .
H24B H 0.881528 0.281640 0.466838 0.096 Uiso 1 1 calc R U . . .
C24C C 0.9312(2) 0.44117(18) 0.62687(18) 0.078(2) Uani 1 1 d . U . . .
H24C H 0.925817 0.461415 0.627945 0.094 Uiso 1 1 calc R U . . .
C24D C 0.9210(3) 0.4366(2) 0.8485(2) 0.097(2) Uani 1 1 d . U . . .
H24D H 0.911607 0.449310 0.862890 0.117 Uiso 1 1 calc R U . . .
C24E C 0.9056(2) 0.21499(17) 0.91809(17) 0.0733(19) Uani 1 1 d . U . . .
H24E H 0.898647 0.203534 0.934152 0.088 Uiso 1 1 calc R U . . .
C24F C 0.9122(2) 0.03724(17) 0.77117(17) 0.0722(18) Uani 1 1 d . U . . .
H24F H 0.903628 0.017619 0.771279 0.087 Uiso 1 1 calc R U . . .
O25 O 0.9125(3) 0.47811(14) 0.76693(16) 0.131(3) Uani 1 1 d . U . . .
C25A C 0.8744(3) 0.0439(2) 0.57738(19) 0.085(2) Uani 1 1 d . U . . .
H25A H 0.856038 0.029936 0.583087 0.102 Uiso 1 1 calc R U . . .
C25B C 0.8724(2) 0.24185(17) 0.48536(17) 0.0696(18) Uani 1 1 d . U . . .
H25B H 0.852732 0.236291 0.472652 0.084 Uiso 1 1 calc R U . . .
C25C C 0.9120(2) 0.42347(17) 0.60697(18) 0.0722(18) Uani 1 1 d . U . . .
H25C H 0.894799 0.432190 0.593965 0.087 Uiso 1 1 calc R U . . .
C25D C 0.9078(3) 0.43819(19) 0.81995(19) 0.083(2) Uani 1 1 d . U . . .
H25D H 0.891052 0.453525 0.814905 0.100 Uiso 1 1 calc R U . . .
C25E C 0.8895(2) 0.24223(19) 0.91458(17) 0.0762(19) Uani 1 1 d . U . . .
H25E H 0.870185 0.248490 0.927254 0.091 Uiso 1 1 calc R U . . .
C25F C 0.9000(2) 0.05659(17) 0.79119(18) 0.0723(18) Uani 1 1 d . U . . .
H25F H 0.883011 0.050035 0.805562 0.087 Uiso 1 1 calc R U . . .
O26 O 0.9039(3) 0.52318(19) 0.7439(2) 0.146(3) Uani 1 1 d . U . . .
C26A C 0.9206(2) 0.14475(17) 0.52383(17) 0.0746(19) Uani 1 1 d . U . . .
H26A H 0.904673 0.139103 0.539221 0.090 Uiso 1 1 calc R U . . .
C26B C 0.9400(2) 0.32050(16) 0.56021(15) 0.0653(17) Uani 1 1 d . U . . .
H26B H 0.918341 0.308863 0.563749 0.078 Uiso 1 1 calc R U . . .
C26C C 0.9592(2) 0.40591(18) 0.71744(17) 0.0733(19) Uani 1 1 d . U . . .
H26C H 0.938398 0.396865 0.708197 0.088 Uiso 1 1 calc R U . . .
C26D C 0.9461(2) 0.33513(17) 0.87360(18) 0.0771(19) Uani 1 1 d . U . . .
H26D H 0.930293 0.340479 0.858070 0.093 Uiso 1 1 calc R U . . .
C26E C 0.9462(2) 0.15804(16) 0.83713(16) 0.0664(17) Uani 1 1 d . U . . .
H26E H 0.925227 0.170747 0.834844 0.080 Uiso 1 1 calc R U . . .
C26F C 0.9394(2) 0.06960(16) 0.67691(15) 0.0666(17) Uani 1 1 d . U . . .
H26F H 0.921081 0.080459 0.687258 0.080 Uiso 1 1 calc R U . . .
O27 O 0.9350(4) 0.5214(2) 0.7875(2) 0.180(4) Uani 1 1 d . U . . .
C27A C 0.9568(2) 0.13319(17) 0.52281(17) 0.0721(18) Uani 1 1 d . U . . .
C27B C 0.9731(2) 0.30662(17) 0.55127(17) 0.0700(17) Uani 1 1 d . U . . .
C27C C 0.9952(2) 0.40285(18) 0.70459(17) 0.0746(18) Uani 1 1 d . U . . .
C27D C 0.9834(3) 0.34633(18) 0.87383(18) 0.082(2) Uani 1 1 d . U . . .
C27E C 0.9800(2) 0.17024(18) 0.84467(17) 0.0725(18) Uani 1 1 d . U . . .
C27F C 0.9763(2) 0.06868(17) 0.68772(17) 0.0721(18) Uani 1 1 d . U . . .
O28 O 0.8680(4) 0.5113(3) 0.7826(3) 0.225(5) Uani 1 1 d . U . . .
C28A C 0.9785(2) 0.14119(19) 0.49838(18) 0.079(2) Uani 1 1 d . U . . .
H28A H 1.002946 0.133069 0.495930 0.095 Uiso 1 1 calc R U . . .
C28B C 1.0040(3) 0.32432(19) 0.5463(2) 0.088(2) Uani 1 1 d . U . . .
H28B H 1.027319 0.315924 0.540411 0.105 Uiso 1 1 calc R U . . .
C28C C 1.0246(2) 0.4152(2) 0.71932(18) 0.082(2) Uani 1 1 d . U . . .
H28C H 1.049639 0.412968 0.712275 0.099 Uiso 1 1 calc R U . . .
C28D C 1.0047(3) 0.33894(19) 0.89751(19) 0.089(2) Uani 1 1 d . U . . .
H28D H 1.029625 0.346370 0.899368 0.107 Uiso 1 1 calc R U . . .
C28E C 1.0102(3) 0.1518(2) 0.8468(2) 0.089(2) Uani 1 1 d . U . . .
H28E H 1.034517 0.159450 0.851129 0.106 Uiso 1 1 calc R U . . .
C28F C 1.0032(2) 0.05347(18) 0.67101(18) 0.078(2) Uani 1 1 d . U . . .
H28F H 1.028785 0.052551 0.677171 0.094 Uiso 1 1 calc R U . . .
O29 O 0.8699(3) 0.3043(2) 0.94079(15) 0.139(3) Uani 1 1 d . U . . .
C29A C 0.9653(3) 0.1598(2) 0.47880(19) 0.086(2) Uani 1 1 d . U . . .
H29A H 0.980634 0.165356 0.463035 0.103 Uiso 1 1 calc R U . . .
C29B C 1.0013(3) 0.3545(2) 0.5498(2) 0.096(2) Uani 1 1 d . U . . .
H29B H 1.022463 0.366656 0.545979 0.115 Uiso 1 1 calc R U . . .
C29C C 1.0187(3) 0.43109(19) 0.74445(19) 0.085(2) Uani 1 1 d . U . . .
H29C H 1.039266 0.439784 0.754369 0.102 Uiso 1 1 calc R U . . .
C29D C 0.9905(3) 0.3211(2) 0.91833(19) 0.089(2) Uani 1 1 d . U . . .
H29D H 1.005907 0.315473 0.933991 0.107 Uiso 1 1 calc R U . . .
C29E C 1.0055(3) 0.1215(2) 0.8426(2) 0.091(2) Uani 1 1 d . U . . .
H29E H 1.026180 0.108480 0.845013 0.110 Uiso 1 1 calc R U . . .
C29F C 0.9929(2) 0.04025(17) 0.64632(18) 0.0758(19) Uani 1 1 d . U . . .
H29F H 1.011162 0.030535 0.634891 0.091 Uiso 1 1 calc R U . . .
O30 O 0.8305(4) 0.3278(3) 0.9705(4) 0.243(6) Uani 1 1 d . U . . .
C30A C 0.9288(3) 0.17098(18) 0.48174(17) 0.076(2) Uani 1 1 d . U . . .
H30A H 0.919505 0.184059 0.467673 0.091 Uiso 1 1 calc R U . . .
C30B C 0.9690(3) 0.36607(19) 0.55840(19) 0.085(2) Uani 1 1 d . U . . .
H30B H 0.967672 0.386602 0.560760 0.102 Uiso 1 1 calc R U . . .
C30C C 0.9815(2) 0.43380(16) 0.75461(19) 0.0756(19) Uani 1 1 d . U . . .
H30C H 0.977143 0.445390 0.771109 0.091 Uiso 1 1 calc R U . . .
C30D C 0.9538(3) 0.31140(19) 0.91656(19) 0.088(2) Uani 1 1 d . U . . .
H30D H 0.943763 0.300057 0.931741 0.106 Uiso 1 1 calc R U . . .
C30E C 0.9707(2) 0.11135(18) 0.83506(17) 0.078(2) Uani 1 1 d . U . . .
H30E H 0.967647 0.091138 0.831349 0.094 Uiso 1 1 calc R U . . .
C30F C 0.9545(2) 0.04108(16) 0.63779(17) 0.0712(18) Uani 1 1 d . U . . .
H30F H 0.947231 0.030769 0.621073 0.085 Uiso 1 1 calc R U . . .
O31 O 0.8906(5) 0.3240(4) 0.9815(4) 0.262(6) Uani 1 1 d . U . . .
C31A C 0.9834(3) 0.1320(2) 0.58453(19) 0.093(2) Uani 1 1 d . U . . .
H31A H 0.958883 0.141205 0.590155 0.112 Uiso 1 1 calc R U . . .
C31B C 0.9700(2) 0.2445(2) 0.58003(18) 0.0811(19) Uani 1 1 d . U . . .
H31B H 0.969045 0.223272 0.575232 0.097 Uiso 1 1 calc R U . . .
C31C C 0.9933(3) 0.3417(2) 0.6754(2) 0.110(3) Uani 1 1 d D U . . .
H31C H 0.983925 0.333628 0.656838 0.132 Uiso 1 1 calc R U . . .
C31D C 1.0033(3) 0.3425(2) 0.8103(2) 0.110(2) Uani 1 1 d . U . . .
H31D H 0.976922 0.335930 0.806295 0.132 Uiso 1 1 calc R U . . .
C31E C 0.9805(2) 0.23175(19) 0.81582(18) 0.0789(19) Uani 1 1 d . U . . .
H31E H 0.984245 0.252952 0.819911 0.095 Uiso 1 1 calc R U . . .
C31F C 0.9909(3) 0.1277(2) 0.7183(2) 0.090(2) Uani 1 1 d . U . . .
H31F H 0.987077 0.136633 0.737548 0.107 Uiso 1 1 calc R U . . .
O32 O 0.8523(4) 0.2832(3) 0.9816(3) 0.219(5) Uani 1 1 d . U . . .
C32A C 1.0103(4) 0.1564(3) 0.5783(2) 0.121(3) Uani 1 1 d . U . . .
H32A H 1.028385 0.150501 0.563183 0.145 Uiso 1 1 calc R U . . .
H32B H 0.996285 0.173755 0.571535 0.145 Uiso 1 1 calc R U . . .
C32B C 1.0061(3) 0.2496(3) 0.6002(2) 0.116(3) Uani 1 1 d . U . . .
H32C H 1.026004 0.234995 0.596206 0.139 Uiso 1 1 calc R U . . .
H32D H 1.016744 0.269353 0.597290 0.139 Uiso 1 1 calc R U . . .
C32C C 1.0289(4) 0.3231(3) 0.6844(3) 0.166(4) Uani 1 1 d D U . . .
H32E H 1.044704 0.318710 0.667416 0.199 Uiso 1 1 calc R U . . .
H32F H 1.044472 0.333926 0.698389 0.199 Uiso 1 1 calc R U . . .
C32D C 1.0260(4) 0.3152(3) 0.8169(3) 0.141(3) Uani 1 1 d . U . . .
H32G H 1.009409 0.299679 0.824691 0.170 Uiso 1 1 calc R U . . .
H32H H 1.046206 0.319353 0.830971 0.170 Uiso 1 1 calc R U . . .
C32E C 1.0116(3) 0.2223(3) 0.7940(2) 0.113(3) Uani 1 1 d . U . . .
H32I H 1.034025 0.235110 0.795760 0.135 Uiso 1 1 calc R U . . .
H32J H 1.019511 0.201966 0.797723 0.135 Uiso 1 1 calc R U . . .
C32F C 1.0288(3) 0.1390(3) 0.7073(3) 0.117(3) Uani 1 1 d . U . . .
H32K H 1.047854 0.138943 0.722795 0.141 Uiso 1 1 calc R U . . .
H32L H 1.038121 0.126655 0.691411 0.141 Uiso 1 1 calc R U . . .
O33 O 0.8475(5) 0.4756(3) 0.5909(4) 0.256(5) Uani 1 1 d . U . . .
C33A C 1.0308(4) 0.1633(3) 0.6049(3) 0.156(4) Uani 1 1 d . U . . .
H33Z H 1.015829 0.176198 0.617522 0.188 Uiso 1 1 calc R U . . .
H33D H 1.055624 0.172358 0.600976 0.188 Uiso 1 1 calc R U . . .
C33B C 0.9917(4) 0.2464(4) 0.6289(3) 0.147(4) Uani 1 1 d . U . . .
H33E H 0.996585 0.264499 0.639720 0.176 Uiso 1 1 calc R U . . .
H33F H 1.005325 0.230290 0.638503 0.176 Uiso 1 1 calc R U . . .
C33C C 1.0142(4) 0.2955(3) 0.6973(3) 0.160(4) Uani 1 1 d D U . . .
H33G H 1.029083 0.290632 0.714626 0.192 Uiso 1 1 calc R U . . .
H33H H 1.016847 0.279298 0.683522 0.192 Uiso 1 1 calc R U . . .
C33D C 1.0429(5) 0.3061(4) 0.7878(3) 0.169(4) Uani 1 1 d . U . . .
H33I H 1.068541 0.297970 0.790533 0.202 Uiso 1 1 calc R U . . .
H33J H 1.026864 0.290889 0.778838 0.202 Uiso 1 1 calc R U . . .
C33E C 0.9942(4) 0.2250(3) 0.7641(3) 0.143(3) Uani 1 1 d . U . . .
H33K H 0.992892 0.205751 0.754641 0.172 Uiso 1 1 calc R U . . .
H33L H 1.009197 0.238426 0.752041 0.172 Uiso 1 1 calc R U . . .
C33F C 1.0213(4) 0.1696(3) 0.6971(3) 0.134(3) Uani 1 1 d . U . . .
H33M H 1.036347 0.173681 0.679655 0.161 Uiso 1 1 calc R U . . .
H33N H 1.028676 0.183795 0.712020 0.161 Uiso 1 1 calc R U . . .
O34 O 0.8445(3) 0.5253(2) 0.5807(2) 0.164(4) Uani 1 1 d . U . . .
C34A C 1.0352(5) 0.1323(4) 0.6180(3) 0.163(4) Uani 1 1 d . U . . .
H34A H 1.056805 0.121918 0.609108 0.196 Uiso 1 1 calc R U . . .
H34B H 1.039456 0.133455 0.638858 0.196 Uiso 1 1 calc R U . . .
C34B C 0.9504(3) 0.2401(2) 0.6292(2) 0.106(3) Uani 1 1 d . U . . .
H34C H 0.937661 0.250719 0.644854 0.127 Uiso 1 1 calc R U . . .
H34D H 0.945608 0.218957 0.631368 0.127 Uiso 1 1 calc R U . . .
C34C C 0.9733(4) 0.2994(2) 0.7052(3) 0.150(4) Uani 1 1 d D U . . .
H34E H 0.968985 0.295132 0.725712 0.180 Uiso 1 1 calc R U . . .
H34F H 0.956833 0.286576 0.693547 0.180 Uiso 1 1 calc R U . . .
C34D C 1.0445(4) 0.3319(3) 0.7693(3) 0.145(4) Uani 1 1 d . U . . .
H34G H 1.070789 0.339272 0.768446 0.174 Uiso 1 1 calc R U . . .
H34H H 1.036460 0.326705 0.749727 0.174 Uiso 1 1 calc R U . . .
C34E C 0.9542(3) 0.2373(3) 0.7695(2) 0.116(3) Uani 1 1 d . U . . .
H34Z H 0.954147 0.258793 0.767543 0.139 Uiso 1 1 calc R U . . .
H34I H 0.935959 0.229006 0.755662 0.139 Uiso 1 1 calc R U . . .
C34F C 0.9774(4) 0.1724(2) 0.6903(3) 0.122(3) Uani 1 1 d . U . . .
H34J H 0.965419 0.187763 0.702092 0.146 Uiso 1 1 calc R U . . .
H34K H 0.972980 0.176812 0.669795 0.146 Uiso 1 1 calc R U . . .
O35 O 0.8855(4) 0.5044(3) 0.6117(4) 0.244(6) Uani 1 1 d . U . . .
C35A C 0.9992(3) 0.1172(3) 0.6116(2) 0.119(3) Uani 1 1 d . U . . .
H35A H 0.981250 0.119261 0.627703 0.142 Uiso 1 1 calc R U . . .
H35B H 1.003603 0.096174 0.608078 0.142 Uiso 1 1 calc R U . . .
C35B C 0.9371(3) 0.2511(2) 0.59979(19) 0.090(2) Uani 1 1 d . U . . .
H35C H 0.914041 0.240610 0.593559 0.108 Uiso 1 1 calc R U . . .
H35D H 0.931730 0.272232 0.600328 0.108 Uiso 1 1 calc R U . . .
C35C C 0.9660(4) 0.3316(2) 0.6985(3) 0.142(3) Uani 1 1 d D U . . .
H35E H 0.939580 0.334150 0.691932 0.170 Uiso 1 1 calc R U . . .
H35F H 0.969524 0.343380 0.716051 0.170 Uiso 1 1 calc R U . . .
C35D C 1.0198(4) 0.3544(3) 0.7807(3) 0.130(3) Uani 1 1 d . U . . .
H35G H 0.998971 0.358427 0.767193 0.157 Uiso 1 1 calc R U . . .
H35H H 1.034160 0.372625 0.783883 0.157 Uiso 1 1 calc R U . . .
C35E C 0.9445(3) 0.2287(2) 0.79867(18) 0.089(2) Uani 1 1 d . U . . .
H35I H 0.935368 0.208348 0.799127 0.106 Uiso 1 1 calc R U . . .
H35J H 0.924559 0.241580 0.806470 0.106 Uiso 1 1 calc R U . . .
C35F C 0.9628(3) 0.1426(2) 0.6980(2) 0.106(3) Uani 1 1 d . U . . .
H35K H 0.959600 0.130700 0.680538 0.127 Uiso 1 1 calc R U . . .
H35L H 0.937865 0.144329 0.707521 0.127 Uiso 1 1 calc R U . . .
O36 O 0.8236(4) 0.5005(3) 0.6172(3) 0.228(5) Uani 1 1 d . U . . .
C36A C 1.0146(3) 0.0854(2) 0.5404(2) 0.092(2) Uani 1 1 d . U . . .
H36A H 1.036563 0.099034 0.538453 0.110 Uiso 1 1 calc R U . . .
C36B C 1.0175(3) 0.25513(19) 0.5250(2) 0.087(2) Uani 1 1 d . U . . .
H36B H 1.039584 0.261793 0.536705 0.104 Uiso 1 1 calc R U . . .
C36C C 1.0495(3) 0.3866(3) 0.6542(2) 0.111(3) Uani 1 1 d . U . . .
H36C H 1.068161 0.378038 0.667899 0.133 Uiso 1 1 calc R U . . .
C36D C 1.0433(3) 0.3901(3) 0.8520(3) 0.159(4) Uani 1 1 d D U . . .
H36D H 1.038160 0.397983 0.871532 0.191 Uiso 1 1 calc R U . . .
C36E C 1.0302(2) 0.21908(19) 0.8711(2) 0.084(2) Uani 1 1 d . U . . .
H36E H 1.051746 0.212816 0.858683 0.100 Uiso 1 1 calc R U . . .
C36F C 1.0355(3) 0.0737(2) 0.7365(2) 0.102(2) Uani 1 1 d . U . . .
H36F H 1.055671 0.078856 0.722364 0.123 Uiso 1 1 calc R U . . .
O37 O 0.9585(4) 0.1288(3) 0.9060(2) 0.220(5) Uani 1 1 d . U . . .
C37A C 1.0266(3) 0.0609(3) 0.5632(2) 0.121(3) Uani 1 1 d . U . . .
H37A H 1.044883 0.068449 0.577316 0.145 Uiso 1 1 calc R U . . .
H37B H 1.004287 0.052828 0.573272 0.145 Uiso 1 1 calc R U . . .
C37B C 1.0229(3) 0.22239(19) 0.5195(2) 0.097(2) Uani 1 1 d . U . . .
H37C H 1.034181 0.212864 0.536410 0.116 Uiso 1 1 calc R U . . .
H37D H 0.998171 0.213083 0.515468 0.116 Uiso 1 1 calc R U . . .
C37C C 1.0543(4) 0.3713(3) 0.6252(3) 0.143(3) Uani 1 1 d . U . . .
H37E H 1.030214 0.371452 0.614374 0.172 Uiso 1 1 calc R U . . .
H37F H 1.062407 0.350831 0.627887 0.172 Uiso 1 1 calc R U . . .
C37D C 1.0819(4) 0.3758(3) 0.8532(5) 0.215(5) Uani 1 1 d D U . . .
H37G H 1.086656 0.363988 0.835844 0.258 Uiso 1 1 calc R U . . .
H37H H 1.084196 0.363091 0.870240 0.258 Uiso 1 1 calc R U . . .
C37E C 1.0348(3) 0.2535(2) 0.8778(2) 0.093(2) Uani 1 1 d . U . . .
H37I H 1.055209 0.262197 0.866109 0.112 Uiso 1 1 calc R U . . .
H37J H 1.010923 0.264101 0.874065 0.112 Uiso 1 1 calc R U . . .
C37F C 1.0458(4) 0.0872(3) 0.7669(3) 0.131(3) Uani 1 1 d . U . . .
H37K H 1.068396 0.099903 0.765254 0.157 Uiso 1 1 calc R U . . .
H37L H 1.024533 0.099150 0.774090 0.157 Uiso 1 1 calc R U . . .
O38 O 0.9463(5) 0.1522(3) 0.9483(3) 0.247(6) Uani 1 1 d . U . . .
C38A C 1.0453(5) 0.0374(3) 0.5427(3) 0.155(4) Uani 1 1 d . U . . .
H38A H 1.072924 0.040605 0.541557 0.186 Uiso 1 1 calc R U . . .
H38B H 1.040678 0.017530 0.550105 0.186 Uiso 1 1 calc R U . . .
C38B C 1.0487(4) 0.2193(3) 0.4940(3) 0.130(3) Uani 1 1 d . U . . .
H38C H 1.075559 0.219155 0.499997 0.156 Uiso 1 1 calc R U . . .
H38D H 1.043274 0.201106 0.483354 0.156 Uiso 1 1 calc R U . . .
C38C C 1.0848(5) 0.3889(4) 0.6093(4) 0.164(4) Uani 1 1 d . U . . .
H38E H 1.107715 0.376676 0.606906 0.197 Uiso 1 1 calc R U . . .
H38Z H 1.075481 0.394232 0.590080 0.197 Uiso 1 1 calc R U . . .
C38D C 1.1099(3) 0.4018(4) 0.8550(5) 0.242(6) Uani 1 1 d D U . . .
H38F H 1.118908 0.404360 0.874900 0.290 Uiso 1 1 calc R U . . .
H38G H 1.132112 0.398228 0.842562 0.290 Uiso 1 1 calc R U . . .
C38E C 1.0445(4) 0.2541(2) 0.9085(3) 0.136(3) Uani 1 1 d . U . . .
H38H H 1.065850 0.267588 0.911670 0.163 Uiso 1 1 calc R U . . .
H38I H 1.022540 0.261225 0.919599 0.163 Uiso 1 1 calc R U . . .
C38F C 1.0531(5) 0.0645(4) 0.7855(4) 0.177(4) Uani 1 1 d . U . . .
H38J H 1.038533 0.067834 0.803330 0.213 Uiso 1 1 calc R U . . .
H38K H 1.080230 0.064862 0.790595 0.213 Uiso 1 1 calc R U . . .
O39 O 0.9649(3) 0.1050(2) 0.95029(18) 0.170(4) Uani 1 1 d . U . . .
C39A C 1.0286(5) 0.0407(3) 0.5151(3) 0.174(4) Uani 1 1 d . U . . .
H39A H 1.009145 0.025449 0.512242 0.209 Uiso 1 1 calc R U . . .
H39B H 1.048146 0.038322 0.500180 0.209 Uiso 1 1 calc R U . . .
C39B C 1.0403(5) 0.2454(3) 0.4760(3) 0.147(4) Uani 1 1 d . U . . .
H39' H 1.023009 0.240032 0.460256 0.176 Uiso 1 1 calc R U . . .
H39C H 1.063964 0.253107 0.467588 0.176 Uiso 1 1 calc R U . . .
C39C C 1.0941(5) 0.4140(4) 0.6244(4) 0.167(4) Uani 1 1 d . U . . .
H39D H 1.094409 0.431181 0.611660 0.201 Uiso 1 1 calc R U . . .
H39Z H 1.119113 0.412024 0.633684 0.201 Uiso 1 1 calc R U . . .
C39D C 1.0890(4) 0.4283(3) 0.8453(5) 0.234(6) Uani 1 1 d D U . . .
H39E H 1.103889 0.439026 0.830762 0.281 Uiso 1 1 calc R U . . .
H39F H 1.084009 0.441458 0.861612 0.281 Uiso 1 1 calc R U . . .
C39E C 1.0547(4) 0.2252(2) 0.9181(3) 0.124(3) Uani 1 1 d . U . . .
H39G H 1.082299 0.222252 0.916243 0.149 Uiso 1 1 calc R U . . .
H39H H 1.047737 0.222725 0.938511 0.149 Uiso 1 1 calc R U . . .
C39F C 1.0439(5) 0.0358(3) 0.7748(3) 0.174(4) Uani 1 1 d . U . . .
H39I H 1.021166 0.028064 0.784527 0.209 Uiso 1 1 calc R U . . .
H39J H 1.065184 0.022214 0.778065 0.209 Uiso 1 1 calc R U . . .
O40 O 0.9074(4) 0.1169(4) 0.9334(3) 0.251(6) Uani 1 1 d . U . . .
C40A C 1.0115(4) 0.0690(2) 0.5126(2) 0.120(3) Uani 1 1 d . U . . .
H40A H 0.984535 0.066775 0.507341 0.144 Uiso 1 1 calc R U . . .
H40B H 1.024227 0.080076 0.497201 0.144 Uiso 1 1 calc R U . . .
C40B C 1.0220(3) 0.2686(2) 0.4948(2) 0.105(3) Uani 1 1 d . U . . .
H40C H 0.997005 0.274167 0.486999 0.126 Uiso 1 1 calc R U . . .
H40D H 1.038121 0.286210 0.495648 0.126 Uiso 1 1 calc R U . . .
C40C C 1.0612(4) 0.4168(3) 0.6479(3) 0.134(3) Uani 1 1 d . U . . .
H40E H 1.070699 0.426484 0.665348 0.160 Uiso 1 1 calc R U . . .
H40F H 1.039658 0.428150 0.640234 0.160 Uiso 1 1 calc R U . . .
C40D C 1.0511(4) 0.4171(3) 0.8321(4) 0.213(5) Uani 1 1 d D U . . .
H40G H 1.054195 0.411215 0.811900 0.255 Uiso 1 1 calc R U . . .
H40H H 1.030783 0.431834 0.833631 0.255 Uiso 1 1 calc R U . . .
C40E C 1.0350(3) 0.2046(2) 0.9011(2) 0.100(3) Uani 1 1 d . U . . .
H40I H 1.010002 0.200192 0.909542 0.120 Uiso 1 1 calc R U . . .
H40J H 1.049589 0.186310 0.899485 0.120 Uiso 1 1 calc R U . . .
C40F C 1.0364(4) 0.0396(3) 0.7424(3) 0.129(3) Uani 1 1 d . U . . .
H40K H 1.011986 0.030591 0.737081 0.155 Uiso 1 1 calc R U . . .
H40L H 1.056760 0.030219 0.731131 0.155 Uiso 1 1 calc R U . . .
O41 O 0.8408(5) 0.0089(4) 0.8159(4) 0.279(7) Uani 1 1 d . U . . .
O42 O 0.8155(4) -0.0351(3) 0.8216(3) 0.245(6) Uani 1 1 d . U . . .
O43 O 0.7891(4) -0.0045(3) 0.7908(3) 0.213(5) Uani 1 1 d . U . . .
O44 O 0.8503(4) -0.0213(4) 0.7776(4) 0.243(5) Uani 1 1 d . U . . .
O45 O 0.9317(6) 0.3758(3) 0.4345(4) 0.359(9) Uani 1 1 d D U . . .
O46 O 0.8799(7) 0.3470(6) 0.4473(5) 0.445(10) Uani 1 1 d D U . . .
O47 O 0.9407(8) 0.3323(5) 0.4632(7) 0.449(10) Uani 1 1 d D U . . .
O48 O 0.9004(9) 0.3826(4) 0.4747(5) 0.428(10) Uani 1 1 d D U . . .
Cl1 Cl 0.86727(6) 0.16929(4) 0.58986(4) 0.0719(5) Uani 1 1 d . U . . .
Si1A Si 0.74766(7) 0.11000(5) 0.57359(5) 0.0791(6) Uani 1 1 d . U . . .
Si1B Si 0.77420(6) 0.27718(5) 0.56908(5) 0.0703(5) Uani 1 1 d . U . . .
Si1C Si 0.78532(6) 0.40566(5) 0.66868(5) 0.0681(5) Uani 1 1 d . U . . .
Si1D Si 0.77640(7) 0.38423(5) 0.83442(6) 0.0832(6) Uani 1 1 d . U . . .
Si1E Si 0.78421(7) 0.21054(5) 0.83898(5) 0.0774(6) Uani 1 1 d . U . . .
Si1F Si 0.77360(6) 0.08492(5) 0.73554(5) 0.0673(5) Uani 1 1 d . U . . .
O1 O 0.86815(17) 0.18657(12) 0.56358(11) 0.0815(15) Uani 1 1 d . U . . .
N1 N 0.8722(2) 0.10996(17) 0.64886(16) 0.0821(18) Uani 1 1 d . U . . .
N1A N 0.81751(17) 0.05860(14) 0.62538(13) 0.0669(14) Uani 1 1 d . U . . .
N1B N 0.80542(18) 0.20587(14) 0.51885(13) 0.0688(15) Uani 1 1 d . U . . .
N1C N 0.83725(18) 0.38845(14) 0.59099(14) 0.0711(15) Uani 1 1 d . U . . .
N1D N 0.84415(18) 0.42728(13) 0.77527(14) 0.0701(15) Uani 1 1 d . U . . .
N1E N 0.82639(19) 0.28181(14) 0.88482(14) 0.0747(15) Uani 1 1 d . U . . .
N1F N 0.83441(18) 0.09730(13) 0.81034(13) 0.0667(14) Uani 1 1 d . U . . .
C1 C 0.8717(3) 0.1328(2) 0.65813(18) 0.079(2) Uani 1 1 d . U . . .
C1A C 0.8022(2) 0.07985(18) 0.60776(17) 0.0741(19) Uani 1 1 d . U . . .
H1A H 0.817868 0.095709 0.602294 0.089 Uiso 1 1 calc R U . . .
C1B C 0.8042(2) 0.22817(17) 0.53714(17) 0.0711(18) Uani 1 1 d . U . . .
H1B H 0.827228 0.233285 0.546232 0.085 Uiso 1 1 calc R U . . .
C1C C 0.8281(2) 0.39174(15) 0.61898(16) 0.0656(17) Uani 1 1 d . U . . .
H1C H 0.846009 0.385905 0.632963 0.079 Uiso 1 1 calc R U . . .
C1D C 0.8304(2) 0.40832(17) 0.79410(18) 0.0745(19) Uani 1 1 d . U . . .
H1D H 0.845390 0.391862 0.798930 0.089 Uiso 1 1 calc R U . . .
C1E C 0.8216(2) 0.25870(17) 0.86699(17) 0.0710(18) Uani 1 1 d . U . . .
H1E H 0.842932 0.251861 0.856633 0.085 Uiso 1 1 calc R U . . .
C1F C 0.8229(2) 0.09511(16) 0.78332(16) 0.0652(17) Uani 1 1 d . U . . .
H1F H 0.840345 0.100114 0.768694 0.078 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0064 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0816 0.0698 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1472 0.1563 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3274 1.2407 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C27T C33T H33A 109.5 . . ?
C27T C33T H33B 109.5 . . ?
H33A C33T H33B 109.5 . . ?
C27T C33T H33C 109.5 . . ?
H33A C33T H33C 109.5 . . ?
H33B C33T H33C 109.5 . . ?
C2T C1T C6T 120.0 . . ?
C2T C1T C7T 115.9(17) . . ?
C6T C1T C7T 124.0(17) . . ?
C3T C2T C1T 120.0 . . ?
C3T C2T H2T 120.0 . . ?
C1T C2T H2T 120.0 . . ?
C2T C3T C4T 120.0 . . ?
C2T C3T H3T 120.0 . . ?
C4T C3T H3T 120.0 . . ?
C3T C4T C5T 120.0 . . ?
C3T C4T H4T 120.0 . . ?
C5T C4T H4T 120.0 . . ?
C6T C5T C4T 120.0 . . ?
C6T C5T H5T 120.0 . . ?
C4T C5T H5T 120.0 . . ?
C5T C6T C1T 120.0 . . ?
C5T C6T H6T 120.0 . . ?
C1T C6T H6T 120.0 . . ?
C1T C7T H7T1 109.5 . . ?
C1T C7T H7T2 109.5 . . ?
H7T1 C7T H7T2 109.5 . . ?
C1T C7T H7T3 109.5 . . ?
H7T1 C7T H7T3 109.5 . . ?
H7T2 C7T H7T3 109.5 . . ?
C9T C8T C13T 120.0 . . ?
C9T C8T C14T 120.1(8) . . ?
C13T C8T C14T 119.9(8) . . ?
C8T C9T C10T 120.0 . . ?
C8T C9T H9T 120.0 . . ?
C10T C9T H9T 120.0 . . ?
C11T C10T C9T 120.0 . . ?
C11T C10T H10T 120.0 . . ?
C9T C10T H10T 120.0 . . ?
C10T C11T C12T 120.0 . . ?
C10T C11T H11T 120.0 . . ?
C12T C11T H11T 120.0 . . ?
C13T C12T C11T 120.0 . . ?
C13T C12T H12T 120.0 . . ?
C11T C12T H12T 120.0 . . ?
C12T C13T C8T 120.0 . . ?
C12T C13T H13T 120.0 . . ?
C8T C13T H13T 120.0 . . ?
C21T C20T C25T 120.0 . . ?
C21T C20T H20T 120.0 . . ?
C25T C20T H20T 120.0 . . ?
C22T C21T C20T 120.0 . . ?
C22T C21T H21T 120.0 . . ?
C20T C21T H21T 120.0 . . ?
C21T C22T C23T 120.0 . . ?
C21T C22T H22T 120.0 . . ?
C23T C22T H22T 120.0 . . ?
C24T C23T C22T 120.0 . . ?
C24T C23T H23T 120.0 . . ?
C22T C23T H23T 120.0 . . ?
C23T C24T C25T 120.0 . . ?
C23T C24T H24T 120.0 . . ?
C25T C24T H24T 120.0 . . ?
C24T C25T C20T 120.0 . . ?
C24T C25T C26T 119.9(8) . . ?
C20T C25T C26T 118.8(8) . . ?
C25T C26T H26G 109.5 . . ?
C25T C26T H26H 109.5 . . ?
H26G C26T H26H 109.5 . . ?
C25T C26T H26I 109.5 . . ?
H26G C26T H26I 109.5 . . ?
H26H C26T H26I 109.5 . . ?
C32T C31T C30T 120.0 . . ?
C32T C31T H31T 120.0 . . ?
C30T C31T H31T 120.0 . . ?
C27T C32T C31T 120.0 . . ?
C27T C32T H32T 120.0 . . ?
C31T C32T H32T 120.0 . . ?
C28T C27T C32T 120.0 . . ?
C28T C27T C33T 122.1(19) . . ?
C32T C27T C33T 117.8(19) . . ?
C29T C28T C27T 120.0 . . ?
C29T C28T H28T 120.0 . . ?
C27T C28T H28T 120.0 . . ?
C28T C29T C30T 120.0 . . ?
C28T C29T H29T 120.0 . . ?
C30T C29T H29T 120.0 . . ?
C29T C30T C31T 120.0 . . ?
C29T C30T H30T 120.0 . . ?
C31T C30T H30T 120.0 . . ?
N3A Cu1 N1A 89.0(2) . . ?
N3A Cu1 N2F 172.2(3) . . ?
N1A Cu1 N2F 89.3(2) . . ?
N3A Cu1 N4F 91.2(2) . . ?
N1A Cu1 N4F 175.5(3) . . ?
N2F Cu1 N4F 89.9(2) . . ?
N3A Cu1 N1 97.0(3) . . ?
N1A Cu1 N1 93.6(2) . . ?
N2F Cu1 N1 90.7(2) . . ?
N4F Cu1 N1 90.8(2) . . ?
N2A Cu2 N3B 178.2(3) . . ?
N2A Cu2 N4A 91.6(3) . . ?
N3B Cu2 N4A 88.3(2) . . ?
N2A Cu2 N1B 91.0(3) . . ?
N3B Cu2 N1B 89.1(2) . . ?
N4A Cu2 N1B 177.2(3) . . ?
N2A Cu2 O21 90.7(3) . . ?
N3B Cu2 O21 91.1(3) . . ?
N4A Cu2 O21 90.2(3) . . ?
N1B Cu2 O21 90.8(3) . . ?
O8 Cl2 O5 110.8(4) . . ?
O8 Cl2 O6 110.1(4) . . ?
O5 Cl2 O6 109.5(3) . . ?
O8 Cl2 O7 110.7(5) . . ?
O5 Cl2 O7 106.5(4) . . ?
O6 Cl2 O7 109.2(4) . . ?
C36A Si2A C31A 113.9(5) . . ?
C36A Si2A C22A 110.4(4) . . ?
C31A Si2A C22A 109.0(4) . . ?
C36A Si2A C27A 110.2(4) . . ?
C31A Si2A C27A 106.3(4) . . ?
C22A Si2A C27A 106.7(4) . . ?
C36B Si2B C27B 110.2(4) . . ?
C36B Si2B C31B 111.0(4) . . ?
C27B Si2B C31B 111.4(4) . . ?
C36B Si2B C22B 108.3(4) . . ?
C27B Si2B C22B 106.8(3) . . ?
C31B Si2B C22B 109.1(3) . . ?
C31C Si2C C36C 107.2(5) . . ?
C31C Si2C C27C 111.5(4) . . ?
C36C Si2C C27C 111.5(4) . . ?
C31C Si2C C22C 112.5(4) . . ?
C36C Si2C C22C 110.2(5) . . ?
C27C Si2C C22C 104.0(4) . . ?
C31D Si2D C36D 119.1(7) . . ?
C31D Si2D C22D 108.4(4) . . ?
C36D Si2D C22D 107.5(5) . . ?
C31D Si2D C27D 107.1(4) . . ?
C36D Si2D C27D 108.4(5) . . ?
C22D Si2D C27D 105.7(4) . . ?
C31E Si2E C22E 111.1(4) . . ?
C31E Si2E C36E 112.9(4) . . ?
C22E Si2E C36E 106.6(4) . . ?
C31E Si2E C27E 109.9(4) . . ?
C22E Si2E C27E 107.5(4) . . ?
C36E Si2E C27E 108.7(4) . . ?
C31F Si2F C22F 114.3(4) . . ?
C31F Si2F C36F 109.2(5) . . ?
C22F Si2F C36F 107.9(4) . . ?
C31F Si2F C27F 110.3(4) . . ?
C22F Si2F C27F 105.8(4) . . ?
C36F Si2F C27F 109.3(4) . . ?
C3 N2 Cu3 160.2(14) . . ?
C6A N2A C10A 118.5(7) . . ?
C6A N2A Cu2 120.7(5) . . ?
C10A N2A Cu2 120.8(6) . . ?
C6B N2B C10B 117.1(6) . . ?
C6B N2B Cu3 121.9(5) . . ?
C10B N2B Cu3 120.8(5) . . ?
C6C N2C C10C 116.3(7) . . ?
C6C N2C Cu4 122.0(5) . . ?
C10C N2C Cu4 121.5(5) . . ?
C10D N2D C6D 116.7(7) . . ?
C10D N2D Cu5 122.3(6) . . ?
C6D N2D Cu5 120.9(6) . . ?
C10E N2E C6E 119.6(7) . . ?
C10E N2E Cu6 119.9(6) . . ?
C6E N2E Cu6 120.5(5) . . ?
C10F N2F C6F 117.2(6) . . ?
C10F N2F Cu1 121.3(5) . . ?
C6F N2F Cu1 121.1(5) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1A C2A C3A 118.2(8) . . ?
C1A C2A Si1A 119.9(6) . . ?
C3A C2A Si1A 121.9(6) . . ?
C1B C2B C3B 113.5(7) . . ?
C1B C2B Si1B 123.7(6) . . ?
C3B C2B Si1B 122.8(6) . . ?
C1C C2C C3C 115.3(8) . . ?
C1C C2C Si1C 118.0(6) . . ?
C3C C2C Si1C 126.7(6) . . ?
C3D C2D C1D 114.0(8) . . ?
C3D C2D Si1D 124.4(7) . . ?
C1D C2D Si1D 121.6(6) . . ?
C1E C2E C3E 116.3(7) . . ?
C1E C2E Si1E 119.9(6) . . ?
C3E C2E Si1E 123.7(6) . . ?
C3F C2F C1F 114.1(7) . . ?
C3F C2F Si1F 126.8(7) . . ?
C1F C2F Si1F 119.0(6) . . ?
N3C Cu3 N2B 173.8(3) . . ?
N3C Cu3 N4B 91.0(2) . . ?
N2B Cu3 N4B 90.3(2) . . ?
N3C Cu3 N1C 91.4(2) . . ?
N2B Cu3 N1C 87.4(2) . . ?
N4B Cu3 N1C 177.3(3) . . ?
N3C Cu3 N2 91.4(3) . . ?
N2B Cu3 N2 94.7(3) . . ?
N4B Cu3 N2 88.5(3) . . ?
N1C Cu3 N2 90.4(3) . . ?
O11 Cl3 O10 110.1(4) . . ?
O11 Cl3 O12 110.9(4) . . ?
O10 Cl3 O12 108.9(4) . . ?
O11 Cl3 O9 109.3(4) . . ?
O10 Cl3 O9 109.2(4) . . ?
O12 Cl3 O9 108.5(3) . . ?
C5 N3 Cu4 169.5(7) . . ?
C25A N3A C21A 119.9(7) . . ?
C25A N3A Cu1 119.9(6) . . ?
C21A N3A Cu1 120.1(5) . . ?
C21B N3B C25B 117.3(6) . . ?
C21B N3B Cu2 122.0(5) . . ?
C25B N3B Cu2 120.6(5) . . ?
C25C N3C C21C 116.7(7) . . ?
C25C N3C Cu3 120.6(5) . . ?
C21C N3C Cu3 122.7(5) . . ?
C21D N3D C25D 118.0(7) . . ?
C21D N3D Cu4 121.0(5) . . ?
C25D N3D Cu4 120.8(6) . . ?
C21E N3E C25E 118.8(7) . . ?
C21E N3E Cu5 121.3(5) . . ?
C25E N3E Cu5 119.9(5) . . ?
C21F N3F C25F 116.6(6) . . ?
C21F N3F Cu6 124.4(5) . . ?
C25F N3F Cu6 118.9(5) . . ?
N2 C3 C4 163(2) . . ?
C4A C3A C2A 119.6(8) . . ?
C4A C3A H3A 120.2 . . ?
C2A C3A H3A 120.2 . . ?
C4B C3B C2B 120.7(8) . . ?
C4B C3B H3B 119.7 . . ?
C2B C3B H3B 119.7 . . ?
C4C C3C C2C 122.6(9) . . ?
C4C C3C H3C 118.7 . . ?
C2C C3C H3C 118.7 . . ?
C4D C3D C2D 121.6(8) . . ?
C4D C3D H3D 119.2 . . ?
C2D C3D H3D 119.2 . . ?
C4E C3E C2E 120.6(8) . . ?
C4E C3E H3E 119.7 . . ?
C2E C3E H3E 119.7 . . ?
C4F C3F C2F 121.2(9) . . ?
C4F C3F H3F 119.4 . . ?
C2F C3F H3F 119.4 . . ?
N2C Cu4 N3D 170.6(3) . . ?
N2C Cu4 N1D 88.6(3) . . ?
N3D Cu4 N1D 88.6(3) . . ?
N2C Cu4 N4C 91.2(2) . . ?
N3D Cu4 N4C 90.9(3) . . ?
N1D Cu4 N4C 175.5(2) . . ?
N2C Cu4 N3 91.3(2) . . ?
N3D Cu4 N3 97.8(2) . . ?
N1D Cu4 N3 92.8(3) . . ?
N4C Cu4 N3 91.7(2) . . ?
O15 Cl4 O13 112.5(5) . . ?
O15 Cl4 O14 111.9(4) . . ?
O13 Cl4 O14 109.9(4) . . ?
O15 Cl4 O16 108.4(5) . . ?
O13 Cl4 O16 104.8(4) . . ?
O14 Cl4 O16 109.1(4) . . ?
C7 N4 Cu6 159.2(13) . . ?
C30A N4A C26A 117.6(7) . . ?
C30A N4A Cu2 122.1(6) . . ?
C26A N4A Cu2 119.9(5) . . ?
C26B N4B C30B 116.7(7) . . ?
C26B N4B Cu3 122.1(5) . . ?
C30B N4B Cu3 121.2(5) . . ?
C30C N4C C26C 116.4(7) . . ?
C30C N4C Cu4 123.8(5) . . ?
C26C N4C Cu4 119.8(5) . . ?
C26D N4D C30D 116.9(8) . . ?
C26D N4D Cu5 121.0(6) . . ?
C30D N4D Cu5 122.1(6) . . ?
C26E N4E C30E 117.1(7) . . ?
C26E N4E Cu6 121.7(5) . . ?
C30E N4E Cu6 121.2(5) . . ?
C30F N4F C26F 116.8(7) . . ?
C30F N4F Cu1 123.0(5) . . ?
C26F N4F Cu1 120.2(5) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3A C4A C5A 118.7(8) . . ?
C3A C4A H4AA 120.7 . . ?
C5A C4A H4AA 120.7 . . ?
C3B C4B C5B 119.3(8) . . ?
C3B C4B H4BA 120.3 . . ?
C5B C4B H4BA 120.3 . . ?
C3C C4C C5C 118.3(8) . . ?
C3C C4C H4CA 120.9 . . ?
C5C C4C H4CA 120.9 . . ?
C5D C4D C3D 118.2(8) . . ?
C5D C4D H4D 120.9 . . ?
C3D C4D H4D 120.9 . . ?
C3E C4E C5E 119.3(8) . . ?
C3E C4E H4E 120.3 . . ?
C5E C4E H4E 120.3 . . ?
C3F C4F C5F 120.3(8) . . ?
C3F C4F H4F 119.9 . . ?
C5F C4F H4F 119.9 . . ?
N4D Cu5 N3E 88.7(3) . . ?
N4D Cu5 N1E 176.8(3) . . ?
N3E Cu5 N1E 88.2(3) . . ?
N4D Cu5 N2D 89.6(3) . . ?
N3E Cu5 N2D 178.2(3) . . ?
N1E Cu5 N2D 93.6(3) . . ?
N4D Cu5 O29 89.8(3) . . ?
N3E Cu5 O29 91.2(3) . . ?
N1E Cu5 O29 90.9(3) . . ?
N2D Cu5 O29 89.4(3) . . ?
O19 Cl5 O20 110.7(7) . . ?
O19 Cl5 O17 108.5(5) . . ?
O20 Cl5 O17 107.2(5) . . ?
O19 Cl5 O18 109.6(7) . . ?
O20 Cl5 O18 112.7(6) . . ?
O17 Cl5 O18 107.9(4) . . ?
N3 C5 C6 178.2(11) . . ?
N1A C5A C4A 122.6(8) . . ?
N1A C5A H5A 118.7 . . ?
C4A C5A H5A 118.7 . . ?
N1B C5B C4B 121.3(8) . . ?
N1B C5B H5B 119.3 . . ?
C4B C5B H5B 119.3 . . ?
N1C C5C C4C 121.5(8) . . ?
N1C C5C H5C 119.3 . . ?
C4C C5C H5C 119.3 . . ?
C4D C5D N1D 124.2(8) . . ?
C4D C5D H5D 117.9 . . ?
N1D C5D H5D 117.9 . . ?
N1E C5E C4E 121.6(8) . . ?
N1E C5E H5E 119.2 . . ?
C4E C5E H5E 119.2 . . ?
N1F C5F C4F 120.9(8) . . ?
N1F C5F H5F 119.5 . . ?
C4F C5F H5F 119.5 . . ?
N3F Cu6 N2E 175.9(3) . . ?
N3F Cu6 N1F 89.8(2) . . ?
N2E Cu6 N1F 88.3(2) . . ?
N3F Cu6 N4E 92.0(3) . . ?
N2E Cu6 N4E 90.0(3) . . ?
N1F Cu6 N4E 177.7(2) . . ?
N3F Cu6 N4 90.1(3) . . ?
N2E Cu6 N4 93.6(3) . . ?
N1F Cu6 N4 90.7(3) . . ?
N4E Cu6 N4 87.9(3) . . ?
O24 Cl6 O21 120.5(11) . . ?
O24 Cl6 O23 109.1(10) . . ?
O21 Cl6 O23 110.5(8) . . ?
O24 Cl6 O22 115.5(13) . . ?
O21 Cl6 O22 97.4(8) . . ?
O23 Cl6 O22 102.1(10) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2A C6A C7A 124.1(8) . . ?
N2A C6A H6AA 118.0 . . ?
C7A C6A H6AA 118.0 . . ?
N2B C6B C7B 123.9(7) . . ?
N2B C6B H6BA 118.0 . . ?
C7B C6B H6BA 118.0 . . ?
N2C C6C C7C 125.9(7) . . ?
N2C C6C H6CA 117.1 . . ?
C7C C6C H6CA 117.1 . . ?
N2D C6D C7D 124.1(8) . . ?
N2D C6D H6D 117.9 . . ?
C7D C6D H6D 117.9 . . ?
N2E C6E C7E 123.3(7) . . ?
N2E C6E H6E 118.4 . . ?
C7E C6E H6E 118.4 . . ?
N2F C6F C7F 123.7(7) . . ?
N2F C6F H6F 118.1 . . ?
C7F C6F H6F 118.1 . . ?
O27 Cl7 O25 116.7(7) . . ?
O27 Cl7 O26 110.0(6) . . ?
O25 Cl7 O26 110.2(5) . . ?
O27 Cl7 O28 114.6(8) . . ?
O25 Cl7 O28 104.5(6) . . ?
O26 Cl7 O28 99.2(8) . . ?
N4 C7 C8 168(2) . . ?
C6A C7A C8A 114.6(8) . . ?
C6A C7A Si1A 123.5(7) . . ?
C8A C7A Si1A 121.9(6) . . ?
C8B C7B C6B 116.0(7) . . ?
C8B C7B Si1B 122.5(6) . . ?
C6B C7B Si1B 121.4(6) . . ?
C6C C7C C8C 115.4(7) . . ?
C6C C7C Si1C 123.4(6) . . ?
C8C C7C Si1C 121.3(6) . . ?
C6D C7D C8D 114.0(9) . . ?
C6D C7D Si1D 122.0(7) . . ?
C8D C7D Si1D 123.8(7) . . ?
C6E C7E C8E 115.1(8) . . ?
C6E C7E Si1E 121.9(6) . . ?
C8E C7E Si1E 122.6(6) . . ?
C6F C7F C8F 117.0(7) . . ?
C6F C7F Si1F 121.4(6) . . ?
C8F C7F Si1F 121.6(6) . . ?
O31 Cl8 O29 111.5(8) . . ?
O31 Cl8 O30 107.8(10) . . ?
O29 Cl8 O30 109.4(9) . . ?
O31 Cl8 O32 114.6(11) . . ?
O29 Cl8 O32 106.5(8) . . ?
O30 Cl8 O32 106.9(8) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9A C8A C7A 120.5(8) . . ?
C9A C8A H8AA 119.8 . . ?
C7A C8A H8AA 119.8 . . ?
C7B C8B C9B 122.2(8) . . ?
C7B C8B H8BA 118.9 . . ?
C9B C8B H8BA 118.9 . . ?
C9C C8C C7C 119.7(8) . . ?
C9C C8C H8CA 120.2 . . ?
C7C C8C H8CA 120.2 . . ?
C9D C8D C7D 120.5(9) . . ?
C9D C8D H8D 119.7 . . ?
C7D C8D H8D 119.7 . . ?
C9E C8E C7E 121.4(8) . . ?
C9E C8E H8E 119.3 . . ?
C7E C8E H8E 119.3 . . ?
C9F C8F C7F 120.1(7) . . ?
C9F C8F H8F 120.0 . . ?
C7F C8F H8F 120.0 . . ?
O35 Cl9 O36 116.1(11) . . ?
O35 Cl9 O33 106.9(10) . . ?
O36 Cl9 O33 88.7(11) . . ?
O35 Cl9 O34 117.1(8) . . ?
O36 Cl9 O34 107.7(6) . . ?
O33 Cl9 O34 117.2(8) . . ?
C8A C9A C10A 121.4(9) . . ?
C8A C9A H9A 119.3 . . ?
C10A C9A H9A 119.3 . . ?
C10B C9B C8B 118.7(8) . . ?
C10B C9B H9B 120.6 . . ?
C8B C9B H9B 120.6 . . ?
C10C C9C C8C 119.0(8) . . ?
C10C C9C H9C 120.5 . . ?
C8C C9C H9C 120.5 . . ?
C10D C9D C8D 120.4(9) . . ?
C10D C9D H9D 119.8 . . ?
C8D C9D H9D 119.8 . . ?
C8E C9E C10E 118.5(8) . . ?
C8E C9E H9E 120.8 . . ?
C10E C9E H9E 120.8 . . ?
C10F C9F C8F 119.5(7) . . ?
C10F C9F H9F 120.2 . . ?
C8F C9F H9F 120.2 . . ?
O37 Cl10 O39 118.9(8) . . ?
O37 Cl10 O40 113.3(9) . . ?
O39 Cl10 O40 108.6(8) . . ?
O37 Cl10 O38 107.9(10) . . ?
O39 Cl10 O38 104.1(7) . . ?
O40 Cl10 O38 102.3(12) . . ?
N2A C10A C9A 120.9(9) . . ?
N2A C10A H10A 119.6 . . ?
C9A C10A H10A 119.6 . . ?
N2B C10B C9B 121.9(8) . . ?
N2B C10B H10B 119.0 . . ?
C9B C10B H10B 119.0 . . ?
N2C C10C C9C 123.7(7) . . ?
N2C C10C H10C 118.1 . . ?
C9C C10C H10C 118.1 . . ?
C9D C10D N2D 124.1(10) . . ?
C9D C10D H10D 118.0 . . ?
N2D C10D H10D 118.0 . . ?
N2E C10E C9E 122.1(8) . . ?
N2E C10E H10E 118.9 . . ?
C9E C10E H10E 118.9 . . ?
N2F C10F C9F 122.4(7) . . ?
N2F C10F H10F 118.8 . . ?
C9F C10F H10F 118.8 . . ?
O42 Cl11 O41 112.8(10) . . ?
O42 Cl11 O43 106.2(7) . . ?
O41 Cl11 O43 107.6(11) . . ?
O42 Cl11 O44 119.8(11) . . ?
O41 Cl11 O44 104.5(10) . . ?
O43 Cl11 O44 105.2(8) . . ?
C12A C11A C15A 104.6(8) . . ?
C12A C11A Si1A 116.3(7) . . ?
C15A C11A Si1A 111.4(7) . . ?
C12A C11A H11A 108.1 . . ?
C15A C11A H11A 108.1 . . ?
Si1A C11A H11A 108.1 . . ?
C15B C11B C12B 104.5(7) . . ?
C15B C11B Si1B 113.8(6) . . ?
C12B C11B Si1B 118.4(6) . . ?
C15B C11B H11B 106.5 . . ?
C12B C11B H11B 106.5 . . ?
Si1B C11B H11B 106.5 . . ?
C12C C11C C15C 100.6(7) . . ?
C12C C11C Si1C 122.0(6) . . ?
C15C C11C Si1C 112.0(6) . . ?
C12C C11C H11C 107.1 . . ?
C15C C11C H11C 107.1 . . ?
Si1C C11C H11C 107.1 . . ?
C15D C11D C12D 104.7(8) . . ?
C15D C11D Si1D 113.7(7) . . ?
C12D C11D Si1D 117.1(7) . . ?
C15D C11D H11D 106.9 . . ?
C12D C11D H11D 106.9 . . ?
Si1D C11D H11D 106.9 . . ?
C12E C11E C15E 102.1(7) . . ?
C12E C11E Si1E 118.9(6) . . ?
C15E C11E Si1E 114.3(6) . . ?
C12E C11E H11E 107.0 . . ?
C15E C11E H11E 107.0 . . ?
Si1E C11E H11E 107.0 . . ?
C12F C11F C15F 102.4(7) . . ?
C12F C11F Si1F 122.3(6) . . ?
C15F C11F Si1F 109.3(6) . . ?
C12F C11F H11F 107.3 . . ?
C15F C11F H11F 107.3 . . ?
Si1F C11F H11F 107.3 . . ?
O47 Cl12 O45 112.1(11) . . ?
O47 Cl12 O48 140(2) . . ?
O45 Cl12 O48 96.6(10) . . ?
O47 Cl12 O46 106(2) . . ?
O45 Cl12 O46 103.2(17) . . ?
O48 Cl12 O46 94.1(17) . . ?
C11A C12A C13A 107.2(10) . . ?
C11A C12A H12A 110.3 . . ?
C13A C12A H12A 110.3 . . ?
C11A C12A H12B 110.3 . . ?
C13A C12A H12B 110.3 . . ?
H12A C12A H12B 108.5 . . ?
C11B C12B C13B 103.7(8) . . ?
C11B C12B H12C 111.0 . . ?
C13B C12B H12C 111.0 . . ?
C11B C12B H12D 111.0 . . ?
C13B C12B H12D 111.0 . . ?
H12C C12B H12D 109.0 . . ?
C11C C12C C13C 104.5(8) . . ?
C11C C12C H12E 110.9 . . ?
C13C C12C H12E 110.9 . . ?
C11C C12C H12F 110.9 . . ?
C13C C12C H12F 110.9 . . ?
H12E C12C H12F 108.9 . . ?
C13D C12D C11D 108.0(9) . . ?
C13D C12D H12G 110.1 . . ?
C11D C12D H12G 110.1 . . ?
C13D C12D H12H 110.1 . . ?
C11D C12D H12H 110.1 . . ?
H12G C12D H12H 108.4 . . ?
C13E C12E C11E 105.8(8) . . ?
C13E C12E H12I 110.6 . . ?
C11E C12E H12I 110.6 . . ?
C13E C12E H12J 110.6 . . ?
C11E C12E H12J 110.6 . . ?
H12I C12E H12J 108.7 . . ?
C13F C12F C11F 107.2(8) . . ?
C13F C12F H12K 110.3 . . ?
C11F C12F H12K 110.3 . . ?
C13F C12F H12L 110.3 . . ?
C11F C12F H12L 110.3 . . ?
H12K C12F H12L 108.5 . . ?
C14A C13A C12A 105.3(11) . . ?
C14A C13A H13A 110.7 . . ?
C12A C13A H13A 110.7 . . ?
C14A C13A H13B 110.7 . . ?
C12A C13A H13B 110.7 . . ?
H13A C13A H13B 108.8 . . ?
C14B C13B C12B 107.6(8) . . ?
C14B C13B H13C 110.2 . . ?
C12B C13B H13C 110.2 . . ?
C14B C13B H13D 110.2 . . ?
C12B C13B H13D 110.2 . . ?
H13C C13B H13D 108.5 . . ?
C14C C13C C12C 108.5(9) . . ?
C14C C13C H13E 110.0 . . ?
C12C C13C H13E 110.0 . . ?
C14C C13C H13F 110.0 . . ?
C12C C13C H13F 110.0 . . ?
H13E C13C H13F 108.4 . . ?
C14D C13D C12D 104.0(9) . . ?
C14D C13D H13G 111.0 . . ?
C12D C13D H13G 111.0 . . ?
C14D C13D H13H 111.0 . . ?
C12D C13D H13H 111.0 . . ?
H13G C13D H13H 109.0 . . ?
C12E C13E C14E 102.9(9) . . ?
C12E C13E H13I 111.2 . . ?
C14E C13E H13I 111.2 . . ?
C12E C13E H13J 111.2 . . ?
C14E C13E H13J 111.2 . . ?
H13I C13E H13J 109.1 . . ?
C12F C13F C14F 108.7(9) . . ?
C12F C13F H13K 109.9 . . ?
C14F C13F H13K 109.9 . . ?
C12F C13F H13L 109.9 . . ?
C14F C13F H13L 109.9 . . ?
H13K C13F H13L 108.3 . . ?
C13A C14A C15A 109.6(12) . . ?
C13A C14A H14A 109.8 . . ?
C15A C14A H14A 109.8 . . ?
C13A C14A H14B 109.8 . . ?
C15A C14A H14B 109.8 . . ?
H14A C14A H14B 108.2 . . ?
C13B C14B C15B 107.1(8) . . ?
C13B C14B H14Z 110.3 . . ?
C15B C14B H14Z 110.3 . . ?
C13B C14B H14C 110.3 . . ?
C15B C14B H14C 110.3 . . ?
H14Z C14B H14C 108.6 . . ?
C13C C14C C15C 104.5(9) . . ?
C13C C14C H14D 110.9 . . ?
C15C C14C H14D 110.9 . . ?
C13C C14C H14E 110.9 . . ?
C15C C14C H14E 110.9 . . ?
H14D C14C H14E 108.9 . . ?
C13D C14D C15D 102.8(9) . . ?
C13D C14D H14F 111.2 . . ?
C15D C14D H14F 111.2 . . ?
C13D C14D H14G 111.2 . . ?
C15D C14D H14G 111.2 . . ?
H14F C14D H14G 109.1 . . ?
C13E C14E C15E 109.3(9) . . ?
C13E C14E H14H 109.8 . . ?
C15E C14E H14H 109.8 . . ?
C13E C14E H14I 109.8 . . ?
C15E C14E H14I 109.8 . . ?
H14H C14E H14I 108.3 . . ?
C13F C14F C15F 104.9(8) . . ?
C13F C14F H14J 110.8 . . ?
C15F C14F H14J 110.8 . . ?
C13F C14F H14K 110.8 . . ?
C15F C14F H14K 110.8 . . ?
H14J C14F H14K 108.8 . . ?
C8T C14T H14L 109.5 . . ?
C8T C14T H14M 109.5 . . ?
H14L C14T H14M 109.5 . . ?
C8T C14T H14N 109.5 . . ?
H14L C14T H14N 109.5 . . ?
H14M C14T H14N 109.5 . . ?
C14A C15A C11A 103.1(10) . . ?
C14A C15A H15A 111.1 . . ?
C11A C15A H15A 111.1 . . ?
C14A C15A H15B 111.1 . . ?
C11A C15A H15B 111.1 . . ?
H15A C15A H15B 109.1 . . ?
C11B C15B C14B 104.0(8) . . ?
C11B C15B H15C 111.0 . . ?
C14B C15B H15C 111.0 . . ?
C11B C15B H15D 111.0 . . ?
C14B C15B H15D 111.0 . . ?
H15C C15B H15D 109.0 . . ?
C14C C15C C11C 105.4(9) . . ?
C14C C15C H15E 110.7 . . ?
C11C C15C H15E 110.7 . . ?
C14C C15C H15F 110.7 . . ?
C11C C15C H15F 110.7 . . ?
H15E C15C H15F 108.8 . . ?
C11D C15D C14D 102.1(8) . . ?
C11D C15D H15G 111.3 . . ?
C14D C15D H15G 111.3 . . ?
C11D C15D H15H 111.3 . . ?
C14D C15D H15H 111.3 . . ?
H15G C15D H15H 109.2 . . ?
C14E C15E C11E 103.5(8) . . ?
C14E C15E H15I 111.1 . . ?
C11E C15E H15I 111.1 . . ?
C14E C15E H15J 111.1 . . ?
C11E C15E H15J 111.1 . . ?
H15I C15E H15J 109.0 . . ?
C14F C15F C11F 102.0(8) . . ?
C14F C15F H15K 111.4 . . ?
C11F C15F H15K 111.4 . . ?
C14F C15F H15L 111.4 . . ?
C11F C15F H15L 111.4 . . ?
H15K C15F H15L 109.2 . . ?
C16T C15T C16T 116.3(17) 2_765 . ?
C16T C15T C19T 121.8(8) 2_765 . ?
C16T C15T C19T 121.8(8) . . ?
C17A C16A C20A 102.5(10) . . ?
C17A C16A Si1A 120.6(8) . . ?
C20A C16A Si1A 115.6(7) . . ?
C17A C16A H16A 105.6 . . ?
C20A C16A H16A 105.6 . . ?
Si1A C16A H16A 105.6 . . ?
C17B C16B C20B 105.9(8) . . ?
C17B C16B Si1B 114.2(6) . . ?
C20B C16B Si1B 112.9(6) . . ?
C17B C16B H16B 107.9 . . ?
C20B C16B H16B 107.9 . . ?
Si1B C16B H16B 107.9 . . ?
C17C C16C C20C 104.0(7) . . ?
C17C C16C Si1C 117.1(6) . . ?
C20C C16C Si1C 111.4(6) . . ?
C17C C16C H16C 108.0 . . ?
C20C C16C H16C 108.0 . . ?
Si1C C16C H16C 108.0 . . ?
C20D C16D C17D 101.9(9) . . ?
C20D C16D Si1D 114.6(7) . . ?
C17D C16D Si1D 117.0(7) . . ?
C20D C16D H16D 107.6 . . ?
C17D C16D H16D 107.6 . . ?
Si1D C16D H16D 107.6 . . ?
C17E C16E C20E 107.4(9) . . ?
C17E C16E Si1E 115.9(8) . . ?
C20E C16E Si1E 108.1(7) . . ?
C17E C16E H16E 108.4 . . ?
C20E C16E H16E 108.4 . . ?
Si1E C16E H16E 108.4 . . ?
C20F C16F C17F 105.1(8) . . ?
C20F C16F Si1F 113.8(6) . . ?
C17F C16F Si1F 114.3(6) . . ?
C20F C16F H16F 107.7 . . ?
C17F C16F H16F 107.7 . . ?
Si1F C16F H16F 107.7 . . ?
C15T C16T C17T 120.4(14) . . ?
C15T C16T H16T 119.8 . . ?
C17T C16T H16T 119.8 . . ?
C16A C17A C18A 103.7(10) . . ?
C16A C17A H17A 111.0 . . ?
C18A C17A H17A 111.0 . . ?
C16A C17A H17B 111.0 . . ?
C18A C17A H17B 111.0 . . ?
H17A C17A H17B 109.0 . . ?
C18B C17B C16B 103.7(8) . . ?
C18B C17B H17C 111.0 . . ?
C16B C17B H17C 111.0 . . ?
C18B C17B H17D 111.0 . . ?
C16B C17B H17D 111.0 . . ?
H17C C17B H17D 109.0 . . ?
C16C C17C C18C 105.9(7) . . ?
C16C C17C H17E 110.6 . . ?
C18C C17C H17E 110.6 . . ?
C16C C17C H17F 110.6 . . ?
C18C C17C H17F 110.6 . . ?
H17E C17C H17F 108.7 . . ?
C18D C17D C16D 105.4(9) . . ?
C18D C17D H17G 110.7 . . ?
C16D C17D H17G 110.7 . . ?
C18D C17D H17H 110.7 . . ?
C16D C17D H17H 110.7 . . ?
H17G C17D H17H 108.8 . . ?
C16E C17E C18E 103.8(10) . . ?
C16E C17E H17I 111.0 . . ?
C18E C17E H17I 111.0 . . ?
C16E C17E H17J 111.0 . . ?
C18E C17E H17J 111.0 . . ?
H17I C17E H17J 109.0 . . ?
C18F C17F C16F 104.2(8) . . ?
C18F C17F H17L 110.9 . . ?
C16F C17F H17L 110.9 . . ?
C18F C17F H17M 110.9 . . ?
C16F C17F H17M 110.9 . . ?
H17L C17F H17M 108.9 . . ?
C18T C17T C16T 121.3(14) . . ?
C18T C17T H17T 119.4 . . ?
C16T C17T H17T 119.4 . . ?
C19A C18A C17A 105.2(11) . . ?
C19A C18A H18A 110.7 . . ?
C17A C18A H18A 110.7 . . ?
C19A C18A H18B 110.7 . . ?
C17A C18A H18B 110.7 . . ?
H18A C18A H18B 108.8 . . ?
C17B C18B C19B 105.9(10) . . ?
C17B C18B H18C 110.6 . . ?
C19B C18B H18C 110.6 . . ?
C17B C18B H18D 110.6 . . ?
C19B C18B H18D 110.6 . . ?
H18C C18B H18D 108.7 . . ?
C19C C18C C17C 106.0(8) . . ?
C19C C18C H18E 110.5 . . ?
C17C C18C H18E 110.5 . . ?
C19C C18C H18F 110.5 . . ?
C17C C18C H18F 110.5 . . ?
H18E C18C H18F 108.7 . . ?
C17D C18D C19D 105.9(10) . . ?
C17D C18D H18G 110.6 . . ?
C19D C18D H18G 110.5 . . ?
C17D C18D H18H 110.5 . . ?
C19D C18D H18H 110.5 . . ?
H18G C18D H18H 108.7 . . ?
C19E C18E C17E 106.3(12) . . ?
C19E C18E H18I 110.5 . . ?
C17E C18E H18I 110.5 . . ?
C19E C18E H18J 110.5 . . ?
C17E C18E H18J 110.5 . . ?
H18I C18E H18J 108.7 . . ?
C19F C18F C17F 110.3(9) . . ?
C19F C18F H18Z 109.6 . . ?
C17F C18F H18Z 109.6 . . ?
C19F C18F H18Y 109.6 . . ?
C17F C18F H18Y 109.6 . . ?
H18Z C18F H18Y 108.1 . . ?
C17T C18T C17T 120(2) 2_765 . ?
C17T C18T H18T 119.8 2_765 . ?
C17T C18T H18T 119.8 . . ?
C18A C19A C20A 107.1(10) . . ?
C18A C19A H19A 110.3 . . ?
C20A C19A H19A 110.3 . . ?
C18A C19A H19B 110.3 . . ?
C20A C19A H19B 110.3 . . ?
H19A C19A H19B 108.5 . . ?
C20B C19B C18B 102.8(10) . . ?
C20B C19B H19C 111.2 . . ?
C18B C19B H19C 111.2 . . ?
C20B C19B H19D 111.2 . . ?
C18B C19B H19D 111.2 . . ?
H19C C19B H19D 109.1 . . ?
C18C C19C C20C 109.2(8) . . ?
C18C C19C H19E 109.8 . . ?
C20C C19C H19E 109.8 . . ?
C18C C19C H19F 109.8 . . ?
C20C C19C H19F 109.8 . . ?
H19E C19C H19F 108.3 . . ?
C18D C19D C20D 107.0(10) . . ?
C18D C19D H19G 110.3 . . ?
C20D C19D H19G 110.3 . . ?
C18D C19D H19H 110.3 . . ?
C20D C19D H19H 110.3 . . ?
H19G C19D H19H 108.6 . . ?
C18E C19E C20E 97.1(11) . . ?
C18E C19E H19I 112.3 . . ?
C20E C19E H19I 112.3 . . ?
C18E C19E H19J 112.3 . . ?
C20E C19E H19J 112.3 . . ?
H19I C19E H19J 109.9 . . ?
C18F C19F C20F 108.0(9) . . ?
C18F C19F H19L 110.1 . . ?
C20F C19F H19L 110.1 . . ?
C18F C19F H19M 110.1 . . ?
C20F C19F H19M 110.1 . . ?
H19L C19F H19M 108.4 . . ?
C15T C19T H19N 109.5 . . ?
C15T C19T H19O 109.5 . . ?
H19N C19T H19O 109.5 . . ?
C15T C19T H19P 109.5 . . ?
H19N C19T H19P 109.5 . . ?
H19O C19T H19P 109.5 . . ?
C15T C19T H19N 109.47(12) . 2_765 ?
H19N C19T H19N 141.1 . 2_765 ?
H19O C19T H19N 56.3 . 2_765 ?
H19P C19T H19N 56.2 . 2_765 ?
C15T C19T H19O 109.5(4) . 2_765 ?
H19N C19T H19O 56.3 . 2_765 ?
H19O C19T H19O 141.1 . 2_765 ?
H19P C19T H19O 56.2 . 2_765 ?
H19N C19T H19O 109.5 2_765 2_765 ?
C15T C19T H19P 109.47(11) . 2_765 ?
H19N C19T H19P 56.2 . 2_765 ?
H19O C19T H19P 56.3 . 2_765 ?
H19P C19T H19P 141.1 . 2_765 ?
H19N C19T H19P 109.5 2_765 2_765 ?
H19O C19T H19P 109.5 2_765 2_765 ?
C19A C20A C16A 104.2(9) . . ?
C19A C20A H20A 110.9 . . ?
C16A C20A H20A 110.9 . . ?
C19A C20A H20B 110.9 . . ?
C16A C20A H20B 110.9 . . ?
H20A C20A H20B 108.9 . . ?
C19B C20B C16B 108.8(9) . . ?
C19B C20B H20C 109.9 . . ?
C16B C20B H20C 109.9 . . ?
C19B C20B H20D 109.9 . . ?
C16B C20B H20D 109.9 . . ?
H20C C20B H20D 108.3 . . ?
C19C C20C C16C 105.4(7) . . ?
C19C C20C H20E 110.7 . . ?
C16C C20C H20E 110.7 . . ?
C19C C20C H20F 110.7 . . ?
C16C C20C H20F 110.7 . . ?
H20E C20C H20F 108.8 . . ?
C16D C20D C19D 105.4(9) . . ?
C16D C20D H20G 110.7 . . ?
C19D C20D H20G 110.7 . . ?
C16D C20D H20H 110.7 . . ?
C19D C20D H20H 110.7 . . ?
H20G C20D H20H 108.8 . . ?
C16E C20E C19E 102.8(9) . . ?
C16E C20E H20I 111.2 . . ?
C19E C20E H20I 111.2 . . ?
C16E C20E H20J 111.2 . . ?
C19E C20E H20J 111.2 . . ?
H20I C20E H20J 109.1 . . ?
C16F C20F C19F 106.4(8) . . ?
C16F C20F H20K 110.4 . . ?
C19F C20F H20K 110.4 . . ?
C16F C20F H20L 110.4 . . ?
C19F C20F H20L 110.4 . . ?
H20K C20F H20L 108.6 . . ?
Cl6 O21 Cu2 171.5(7) . . ?
N3A C21A C22A 123.3(7) . . ?
N3A C21A H21A 118.4 . . ?
C22A C21A H21A 118.4 . . ?
N3B C21B C22B 125.3(7) . . ?
N3B C21B H21B 117.3 . . ?
C22B C21B H21B 117.3 . . ?
C22C C21C N3C 124.8(7) . . ?
C22C C21C H21C 117.6 . . ?
N3C C21C H21C 117.6 . . ?
N3D C21D C22D 124.9(8) . . ?
N3D C21D H21D 117.6 . . ?
C22D C21D H21D 117.6 . . ?
N3E C21E C22E 123.7(7) . . ?
N3E C21E H21E 118.1 . . ?
C22E C21E H21E 118.1 . . ?
N3F C21F C22F 125.8(7) . . ?
N3F C21F H21F 117.1 . . ?
C22F C21F H21F 117.1 . . ?
C23A C22A C21A 115.3(8) . . ?
C23A C22A Si2A 123.0(6) . . ?
C21A C22A Si2A 121.6(6) . . ?
C21B C22B C23B 116.6(7) . . ?
C21B C22B Si2B 123.1(6) . . ?
C23B C22B Si2B 120.2(6) . . ?
C21C C22C C23C 116.6(8) . . ?
C21C C22C Si2C 122.8(6) . . ?
C23C C22C Si2C 120.5(6) . . ?
C23D C22D C21D 115.5(8) . . ?
C23D C22D Si2D 121.3(7) . . ?
C21D C22D Si2D 123.1(7) . . ?
C21E C22E C23E 117.2(7) . . ?
C21E C22E Si2E 121.0(6) . . ?
C23E C22E Si2E 121.7(6) . . ?
C23F C22F C21F 113.7(7) . . ?
C23F C22F Si2F 122.8(6) . . ?
C21F C22F Si2F 123.5(6) . . ?
C24A C23A C22A 121.7(9) . . ?
C24A C23A H23A 119.2 . . ?
C22A C23A H23A 119.2 . . ?
C24B C23B C22B 119.4(8) . . ?
C24B C23B H23B 120.3 . . ?
C22B C23B H23B 120.3 . . ?
C24C C23C C22C 120.5(8) . . ?
C24C C23C H23C 119.8 . . ?
C22C C23C H23C 119.8 . . ?
C24D C23D C22D 121.0(9) . . ?
C24D C23D H23D 119.5 . . ?
C22D C23D H23D 119.5 . . ?
C24E C23E C22E 117.8(7) . . ?
C24E C23E H23E 121.1 . . ?
C22E C23E H23E 121.1 . . ?
C22F C23F C24F 123.1(7) . . ?
C22F C23F H23F 118.5 . . ?
C24F C23F H23F 118.5 . . ?
C25A C24A C23A 118.3(9) . . ?
C25A C24A H24A 120.8 . . ?
C23A C24A H24A 120.8 . . ?
C23B C24B C25B 118.7(8) . . ?
C23B C24B H24B 120.7 . . ?
C25B C24B H24B 120.7 . . ?
C23C C24C C25C 119.8(8) . . ?
C23C C24C H24C 120.1 . . ?
C25C C24C H24C 120.1 . . ?
C23D C24D C25D 117.5(9) . . ?
C23D C24D H24D 121.3 . . ?
C25D C24D H24D 121.3 . . ?
C25E C24E C23E 121.7(7) . . ?
C25E C24E H24E 119.1 . . ?
C23E C24E H24E 119.1 . . ?
C25F C24F C23F 118.2(7) . . ?
C25F C24F H24F 120.9 . . ?
C23F C24F H24F 120.9 . . ?
N3A C25A C24A 121.5(8) . . ?
N3A C25A H25A 119.3 . . ?
C24A C25A H25A 119.3 . . ?
N3B C25B C24B 122.6(7) . . ?
N3B C25B H25B 118.7 . . ?
C24B C25B H25B 118.7 . . ?
N3C C25C C24C 121.4(8) . . ?
N3C C25C H25C 119.3 . . ?
C24C C25C H25C 119.3 . . ?
N3D C25D C24D 122.9(8) . . ?
N3D C25D H25D 118.6 . . ?
C24D C25D H25D 118.6 . . ?
N3E C25E C24E 120.5(7) . . ?
N3E C25E H25E 119.8 . . ?
C24E C25E H25E 119.8 . . ?
C24F C25F N3F 122.5(8) . . ?
C24F C25F H25F 118.7 . . ?
N3F C25F H25F 118.7 . . ?
N4A C26A C27A 124.0(7) . . ?
N4A C26A H26A 118.0 . . ?
C27A C26A H26A 118.0 . . ?
N4B C26B C27B 123.5(7) . . ?
N4B C26B H26B 118.3 . . ?
C27B C26B H26B 118.3 . . ?
N4C C26C C27C 125.1(7) . . ?
N4C C26C H26C 117.5 . . ?
C27C C26C H26C 117.5 . . ?
N4D C26D C27D 125.0(8) . . ?
N4D C26D H26D 117.5 . . ?
C27D C26D H26D 117.5 . . ?
N4E C26E C27E 125.1(7) . . ?
N4E C26E H26E 117.5 . . ?
C27E C26E H26E 117.5 . . ?
N4F C26F C27F 124.2(7) . . ?
N4F C26F H26F 117.9 . . ?
C27F C26F H26F 117.9 . . ?
C26A C27A C28A 115.2(7) . . ?
C26A C27A Si2A 119.0(6) . . ?
C28A C27A Si2A 125.8(6) . . ?
C28B C27B C26B 116.5(7) . . ?
C28B C27B Si2B 122.8(6) . . ?
C26B C27B Si2B 120.6(6) . . ?
C28C C27C C26C 115.4(7) . . ?
C28C C27C Si2C 124.2(6) . . ?
C26C C27C Si2C 120.4(6) . . ?
C28D C27D C26D 115.1(8) . . ?
C28D C27D Si2D 126.7(7) . . ?
C26D C27D Si2D 118.1(6) . . ?
C28E C27E C26E 116.8(8) . . ?
C28E C27E Si2E 122.6(6) . . ?
C26E C27E Si2E 120.6(6) . . ?
C26F C27F C28F 116.3(7) . . ?
C26F C27F Si2F 120.4(6) . . ?
C28F C27F Si2F 123.2(6) . . ?
C29A C28A C27A 121.9(8) . . ?
C29A C28A H28A 119.1 . . ?
C27A C28A H28A 119.1 . . ?
C27B C28B C29B 120.5(8) . . ?
C27B C28B H28B 119.7 . . ?
C29B C28B H28B 119.7 . . ?
C27C C28C C29C 121.7(8) . . ?
C27C C28C H28C 119.2 . . ?
C29C C28C H28C 119.2 . . ?
C29D C28D C27D 121.1(9) . . ?
C29D C28D H28D 119.4 . . ?
C27D C28D H28D 119.4 . . ?
C27E C28E C29E 120.4(8) . . ?
C27E C28E H28E 119.8 . . ?
C29E C28E H28E 119.8 . . ?
C29F C28F C27F 120.6(8) . . ?
C29F C28F H28F 119.7 . . ?
C27F C28F H28F 119.7 . . ?
Cl8 O29 Cu5 171.0(6) . . ?
C28A C29A C30A 119.3(8) . . ?
C28A C29A H29A 120.3 . . ?
C30A C29A H29A 120.3 . . ?
C30B C29B C28B 119.5(8) . . ?
C30B C29B H29B 120.3 . . ?
C28B C29B H29B 120.3 . . ?
C28C C29C C30C 118.0(8) . . ?
C28C C29C H29C 121.0 . . ?
C30C C29C H29C 121.0 . . ?
C28D C29D C30D 119.9(9) . . ?
C28D C29D H29D 120.0 . . ?
C30D C29D H29D 120.0 . . ?
C30E C29E C28E 118.5(8) . . ?
C30E C29E H29E 120.8 . . ?
C28E C29E H29E 120.8 . . ?
C28F C29F C30F 119.1(7) . . ?
C28F C29F H29F 120.4 . . ?
C30F C29F H29F 120.4 . . ?
N4A C30A C29A 121.9(8) . . ?
N4A C30A H30A 119.0 . . ?
C29A C30A H30A 119.0 . . ?
C29B C30B N4B 123.3(8) . . ?
C29B C30B H30B 118.3 . . ?
N4B C30B H30B 118.3 . . ?
N4C C30C C29C 123.3(8) . . ?
N4C C30C H30C 118.3 . . ?
C29C C30C H30C 118.3 . . ?
N4D C30D C29D 121.7(9) . . ?
N4D C30D H30D 119.1 . . ?
C29D C30D H30D 119.1 . . ?
N4E C30E C29E 122.1(8) . . ?
N4E C30E H30E 119.0 . . ?
C29E C30E H30E 119.0 . . ?
N4F C30F C29F 122.8(7) . . ?
N4F C30F H30F 118.6 . . ?
C29F C30F H30F 118.6 . . ?
C32A C31A C35A 105.0(9) . . ?
C32A C31A Si2A 114.0(7) . . ?
C35A C31A Si2A 117.5(7) . . ?
C32A C31A H31A 106.6 . . ?
C35A C31A H31A 106.6 . . ?
Si2A C31A H31A 106.6 . . ?
C35B C31B C32B 103.0(7) . . ?
C35B C31B Si2B 118.6(6) . . ?
C32B C31B Si2B 111.9(6) . . ?
C35B C31B H31B 107.6 . . ?
C32B C31B H31B 107.6 . . ?
Si2B C31B H31B 107.6 . . ?
C35C C31C C32C 98.7(9) . . ?
C35C C31C Si2C 119.2(7) . . ?
C32C C31C Si2C 117.1(8) . . ?
C35C C31C H31C 107.0 . . ?
C32C C31C H31C 107.0 . . ?
Si2C C31C H31C 107.0 . . ?
C32D C31D C35D 105.3(9) . . ?
C32D C31D Si2D 113.6(8) . . ?
C35D C31D Si2D 118.3(8) . . ?
C32D C31D H31D 106.3 . . ?
C35D C31D H31D 106.3 . . ?
Si2D C31D H31D 106.3 . . ?
C35E C31E C32E 102.8(7) . . ?
C35E C31E Si2E 118.1(6) . . ?
C32E C31E Si2E 112.7(6) . . ?
C35E C31E H31E 107.6 . . ?
C32E C31E H31E 107.6 . . ?
Si2E C31E H31E 107.6 . . ?
C32F C31F C35F 102.3(8) . . ?
C32F C31F Si2F 114.9(7) . . ?
C35F C31F Si2F 119.1(7) . . ?
C32F C31F H31F 106.6 . . ?
C35F C31F H31F 106.6 . . ?
Si2F C31F H31F 106.6 . . ?
C33A C32A C31A 107.9(9) . . ?
C33A C32A H32A 110.1 . . ?
C31A C32A H32A 110.1 . . ?
C33A C32A H32B 110.1 . . ?
C31A C32A H32B 110.1 . . ?
H32A C32A H32B 108.4 . . ?
C33B C32B C31B 104.5(9) . . ?
C33B C32B H32C 110.9 . . ?
C31B C32B H32C 110.9 . . ?
C33B C32B H32D 110.9 . . ?
C31B C32B H32D 110.9 . . ?
H32C C32B H32D 108.9 . . ?
C33C C32C C31C 106.8(11) . . ?
C33C C32C H32E 110.4 . . ?
C31C C32C H32E 110.4 . . ?
C33C C32C H32F 110.4 . . ?
C31C C32C H32F 110.4 . . ?
H32E C32C H32F 108.6 . . ?
C31D C32D C33D 104.4(10) . . ?
C31D C32D H32G 110.9 . . ?
C33D C32D H32G 110.9 . . ?
C31D C32D H32H 110.9 . . ?
C33D C32D H32H 110.9 . . ?
H32G C32D H32H 108.9 . . ?
C33E C32E C31E 106.9(9) . . ?
C33E C32E H32I 110.3 . . ?
C31E C32E H32I 110.3 . . ?
C33E C32E H32J 110.3 . . ?
C31E C32E H32J 110.3 . . ?
H32I C32E H32J 108.6 . . ?
C33F C32F C31F 105.6(10) . . ?
C33F C32F H32K 110.6 . . ?
C31F C32F H32K 110.6 . . ?
C33F C32F H32L 110.6 . . ?
C31F C32F H32L 110.6 . . ?
H32K C32F H32L 108.7 . . ?
C32A C33A C34A 100.7(11) . . ?
C32A C33A H33Z 111.6 . . ?
C34A C33A H33Z 111.6 . . ?
C32A C33A H33D 111.6 . . ?
C34A C33A H33D 111.6 . . ?
H33Z C33A H33D 109.4 . . ?
C32B C33B C34B 112.1(10) . . ?
C32B C33B H33E 109.2 . . ?
C34B C33B H33E 109.2 . . ?
C32B C33B H33F 109.2 . . ?
C34B C33B H33F 109.2 . . ?
H33E C33B H33F 107.9 . . ?
C32C C33C C34C 109.5(11) . . ?
C32C C33C H33G 109.8 . . ?
C34C C33C H33G 109.8 . . ?
C32C C33C H33H 109.8 . . ?
C34C C33C H33H 109.8 . . ?
H33G C33C H33H 108.2 . . ?
C34D C33D C32D 108.3(12) . . ?
C34D C33D H33I 110.0 . . ?
C32D C33D H33I 110.0 . . ?
C34D C33D H33J 110.0 . . ?
C32D C33D H33J 110.0 . . ?
H33I C33D H33J 108.4 . . ?
C32E C33E C34E 104.5(9) . . ?
C32E C33E H33K 110.9 . . ?
C34E C33E H33K 110.9 . . ?
C32E C33E H33L 110.9 . . ?
C34E C33E H33L 110.9 . . ?
H33K C33E H33L 108.9 . . ?
C32F C33F C34F 108.1(9) . . ?
C32F C33F H33M 110.1 . . ?
C34F C33F H33M 110.1 . . ?
C32F C33F H33N 110.1 . . ?
C34F C33F H33N 110.1 . . ?
H33M C33F H33N 108.4 . . ?
C35A C34A C33A 105.1(12) . . ?
C35A C34A H34A 110.7 . . ?
C33A C34A H34A 110.7 . . ?
C35A C34A H34B 110.7 . . ?
C33A C34A H34B 110.7 . . ?
H34A C34A H34B 108.8 . . ?
C33B C34B C35B 103.2(9) . . ?
C33B C34B H34C 111.1 . . ?
C35B C34B H34C 111.1 . . ?
C33B C34B H34D 111.1 . . ?
C35B C34B H34D 111.1 . . ?
H34C C34B H34D 109.1 . . ?
C33C C34C C35C 103.1(11) . . ?
C33C C34C H34E 111.1 . . ?
C35C C34C H34E 111.1 . . ?
C33C C34C H34F 111.1 . . ?
C35C C34C H34F 111.1 . . ?
H34E C34C H34F 109.1 . . ?
C35D C34D C33D 109.5(12) . . ?
C35D C34D H34G 109.8 . . ?
C33D C34D H34G 109.8 . . ?
C35D C34D H34H 109.8 . . ?
C33D C34D H34H 109.8 . . ?
H34G C34D H34H 108.2 . . ?
C35E C34E C33E 105.5(9) . . ?
C35E C34E H34Z 110.6 . . ?
C33E C34E H34Z 110.6 . . ?
C35E C34E H34I 110.6 . . ?
C33E C34E H34I 110.6 . . ?
H34Z C34E H34I 108.8 . . ?
C35F C34F C33F 102.2(10) . . ?
C35F C34F H34J 111.3 . . ?
C33F C34F H34J 111.3 . . ?
C35F C34F H34K 111.3 . . ?
C33F C34F H34K 111.3 . . ?
H34J C34F H34K 109.2 . . ?
C34A C35A C31A 105.7(10) . . ?
C34A C35A H35A 110.6 . . ?
C31A C35A H35A 110.6 . . ?
C34A C35A H35B 110.6 . . ?
C31A C35A H35B 110.6 . . ?
H35A C35A H35B 108.7 . . ?
C31B C35B C34B 104.1(8) . . ?
C31B C35B H35C 110.9 . . ?
C34B C35B H35C 110.9 . . ?
C31B C35B H35D 110.9 . . ?
C34B C35B H35D 110.9 . . ?
H35C C35B H35D 109.0 . . ?
C31C C35C C34C 109.5(11) . . ?
C31C C35C H35E 109.8 . . ?
C34C C35C H35E 109.8 . . ?
C31C C35C H35F 109.8 . . ?
C34C C35C H35F 109.8 . . ?
H35E C35C H35F 108.2 . . ?
C34D C35D C31D 107.2(10) . . ?
C34D C35D H35G 110.3 . . ?
C31D C35D H35G 110.3 . . ?
C34D C35D H35H 110.3 . . ?
C31D C35D H35H 110.3 . . ?
H35G C35D H35H 108.5 . . ?
C34E C35E C31E 105.9(8) . . ?
C34E C35E H35I 110.6 . . ?
C31E C35E H35I 110.6 . . ?
C34E C35E H35J 110.6 . . ?
C31E C35E H35J 110.6 . . ?
H35I C35E H35J 108.7 . . ?
C34F C35F C31F 109.3(9) . . ?
C34F C35F H35K 109.8 . . ?
C31F C35F H35K 109.8 . . ?
C34F C35F H35L 109.8 . . ?
C31F C35F H35L 109.8 . . ?
H35K C35F H35L 108.3 . . ?
C40A C36A C37A 103.8(8) . . ?
C40A C36A Si2A 118.6(7) . . ?
C37A C36A Si2A 112.8(6) . . ?
C40A C36A H36A 107.0 . . ?
C37A C36A H36A 107.0 . . ?
Si2A C36A H36A 107.0 . . ?
C37B C36B C40B 102.8(8) . . ?
C37B C36B Si2B 116.0(6) . . ?
C40B C36B Si2B 115.9(7) . . ?
C37B C36B H36B 107.2 . . ?
C40B C36B H36B 107.2 . . ?
Si2B C36B H36B 107.2 . . ?
C40C C36C C37C 102.7(10) . . ?
C40C C36C Si2C 116.3(8) . . ?
C37C C36C Si2C 112.9(9) . . ?
C40C C36C H36C 108.2 . . ?
C37C C36C H36C 108.2 . . ?
Si2C C36C H36C 108.2 . . ?
C37D C36D C40D 101.8(8) . . ?
C37D C36D Si2D 120.9(10) . . ?
C40D C36D Si2D 113.5(8) . . ?
C37D C36D H36D 106.6 . . ?
C40D C36D H36D 106.6 . . ?
Si2D C36D H36D 106.6 . . ?
C40E C36E C37E 103.2(7) . . ?
C40E C36E Si2E 116.9(6) . . ?
C37E C36E Si2E 111.0(6) . . ?
C40E C36E H36E 108.4 . . ?
C37E C36E H36E 108.4 . . ?
Si2E C36E H36E 108.4 . . ?
C40F C36F C37F 102.9(9) . . ?
C40F C36F Si2F 113.8(7) . . ?
C37F C36F Si2F 111.3(7) . . ?
C40F C36F H36F 109.5 . . ?
C37F C36F H36F 109.5 . . ?
Si2F C36F H36F 109.5 . . ?
C38A C37A C36A 100.7(9) . . ?
C38A C37A H37A 111.6 . . ?
C36A C37A H37A 111.6 . . ?
C38A C37A H37B 111.6 . . ?
C36A C37A H37B 111.6 . . ?
H37A C37A H37B 109.4 . . ?
C38B C37B C36B 107.5(8) . . ?
C38B C37B H37C 110.2 . . ?
C36B C37B H37C 110.2 . . ?
C38B C37B H37D 110.2 . . ?
C36B C37B H37D 110.2 . . ?
H37C C37B H37D 108.5 . . ?
C36C C37C C38C 105.3(12) . . ?
C36C C37C H37E 110.7 . . ?
C38C C37C H37E 110.7 . . ?
C36C C37C H37F 110.7 . . ?
C38C C37C H37F 110.7 . . ?
H37E C37C H37F 108.8 . . ?
C36D C37D C38D 104.2(8) . . ?
C36D C37D H37G 110.9 . . ?
C38D C37D H37G 110.9 . . ?
C36D C37D H37H 110.9 . . ?
C38D C37D H37H 110.9 . . ?
H37G C37D H37H 108.9 . . ?
C38E C37E C36E 103.3(8) . . ?
C38E C37E H37I 111.1 . . ?
C36E C37E H37I 111.1 . . ?
C38E C37E H37J 111.1 . . ?
C36E C37E H37J 111.1 . . ?
H37I C37E H37J 109.1 . . ?
C38F C37F C36F 108.1(12) . . ?
C38F C37F H37K 110.1 . . ?
C36F C37F H37K 110.1 . . ?
C38F C37F H37L 110.1 . . ?
C36F C37F H37L 110.1 . . ?
H37K C37F H37L 108.4 . . ?
C39A C38A C37A 107.5(11) . . ?
C39A C38A H38A 110.2 . . ?
C37A C38A H38A 110.2 . . ?
C39A C38A H38B 110.2 . . ?
C37A C38A H38B 110.2 . . ?
H38A C38A H38B 108.5 . . ?
C39B C38B C37B 104.3(9) . . ?
C39B C38B H38C 110.9 . . ?
C37B C38B H38C 110.9 . . ?
C39B C38B H38D 110.9 . . ?
C37B C38B H38D 110.9 . . ?
H38C C38B H38D 108.9 . . ?
C39C C38C C37C 110.7(13) . . ?
C39C C38C H38E 109.5 . . ?
C37C C38C H38E 109.5 . . ?
C39C C38C H38Z 109.5 . . ?
C37C C38C H38Z 109.5 . . ?
H38E C38C H38Z 108.1 . . ?
C39D C38D C37D 107.0(7) . . ?
C39D C38D H38F 110.3 . . ?
C37D C38D H38F 110.3 . . ?
C39D C38D H38G 110.3 . . ?
C37D C38D H38G 110.3 . . ?
H38F C38D H38G 108.6 . . ?
C39E C38E C37E 110.2(10) . . ?
C39E C38E H38H 109.6 . . ?
C37E C38E H38H 109.6 . . ?
C39E C38E H38I 109.6 . . ?
C37E C38E H38I 109.6 . . ?
H38H C38E H38I 108.1 . . ?
C37F C38F C39F 115.3(14) . . ?
C37F C38F H38J 108.5 . . ?
C39F C38F H38J 108.5 . . ?
C37F C38F H38K 108.5 . . ?
C39F C38F H38K 108.5 . . ?
H38J C38F H38K 107.5 . . ?
C38A C39A C40A 110.2(12) . . ?
C38A C39A H39A 109.6 . . ?
C40A C39A H39A 109.6 . . ?
C38A C39A H39B 109.6 . . ?
C40A C39A H39B 109.6 . . ?
H39A C39A H39B 108.1 . . ?
C38B C39B C40B 108.8(10) . . ?
C38B C39B H39' 109.9 . . ?
C40B C39B H39' 109.9 . . ?
C38B C39B H39C 109.9 . . ?
C40B C39B H39C 109.9 . . ?
H39' C39B H39C 108.3 . . ?
C38C C39C C40C 104.0(13) . . ?
C38C C39C H39D 110.9 . . ?
C40C C39C H39D 110.9 . . ?
C38C C39C H39Z 110.9 . . ?
C40C C39C H39Z 110.9 . . ?
H39D C39C H39Z 109.0 . . ?
C38D C39D C40D 106.1(8) . . ?
C38D C39D H39E 110.5 . . ?
C40D C39D H39E 110.5 . . ?
C38D C39D H39F 110.5 . . ?
C40D C39D H39F 110.5 . . ?
H39E C39D H39F 108.7 . . ?
C40E C39E C38E 108.0(9) . . ?
C40E C39E H39G 110.1 . . ?
C38E C39E H39G 110.1 . . ?
C40E C39E H39H 110.1 . . ?
C38E C39E H39H 110.1 . . ?
H39G C39E H39H 108.4 . . ?
C38F C39F C40F 106.1(14) . . ?
C38F C39F H39I 110.5 . . ?
C40F C39F H39I 110.5 . . ?
C38F C39F H39J 110.5 . . ?
C40F C39F H39J 110.5 . . ?
H39I C39F H39J 108.7 . . ?
C39A C40A C36A 110.6(10) . . ?
C39A C40A H40A 109.5 . . ?
C36A C40A H40A 109.5 . . ?
C39A C40A H40B 109.5 . . ?
C36A C40A H40B 109.5 . . ?
H40A C40A H40B 108.1 . . ?
C39B C40B C36B 106.9(9) . . ?
C39B C40B H40C 110.3 . . ?
C36B C40B H40C 110.3 . . ?
C39B C40B H40D 110.3 . . ?
C36B C40B H40D 110.3 . . ?
H40C C40B H40D 108.6 . . ?
C36C C40C C39C 105.5(11) . . ?
C36C C40C H40E 110.6 . . ?
C39C C40C H40E 110.6 . . ?
C36C C40C H40F 110.6 . . ?
C39C C40C H40F 110.6 . . ?
H40E C40C H40F 108.8 . . ?
C39D C40D C36D 100.3(8) . . ?
C39D C40D H40G 111.7 . . ?
C36D C40D H40G 111.7 . . ?
C39D C40D H40H 111.7 . . ?
C36D C40D H40H 111.7 . . ?
H40G C40D H40H 109.5 . . ?
C39E C40E C36E 106.1(8) . . ?
C39E C40E H40I 110.5 . . ?
C36E C40E H40I 110.5 . . ?
C39E C40E H40J 110.5 . . ?
C36E C40E H40J 110.5 . . ?
H40I C40E H40J 108.7 . . ?
C39F C40F C36F 106.5(11) . . ?
C39F C40F H40K 110.4 . . ?
C36F C40F H40K 110.4 . . ?
C39F C40F H40L 110.4 . . ?
C36F C40F H40L 110.4 . . ?
H40K C40F H40L 108.6 . . ?
O2 Cl1 O4 109.0(4) . . ?
O2 Cl1 O3 110.8(4) . . ?
O4 Cl1 O3 110.6(4) . . ?
O2 Cl1 O1 108.2(4) . . ?
O4 Cl1 O1 108.9(4) . . ?
O3 Cl1 O1 109.3(3) . . ?
C11A Si1A C7A 111.7(4) . . ?
C11A Si1A C16A 112.8(5) . . ?
C7A Si1A C16A 108.8(5) . . ?
C11A Si1A C2A 107.5(4) . . ?
C7A Si1A C2A 106.0(4) . . ?
C16A Si1A C2A 109.8(4) . . ?
C11B Si1B C2B 113.2(4) . . ?
C11B Si1B C16B 110.4(4) . . ?
C2B Si1B C16B 110.6(4) . . ?
C11B Si1B C7B 110.4(4) . . ?
C2B Si1B C7B 103.3(4) . . ?
C16B Si1B C7B 108.6(4) . . ?
C11C Si1C C16C 112.7(4) . . ?
C11C Si1C C7C 112.7(4) . . ?
C16C Si1C C7C 108.0(4) . . ?
C11C Si1C C2C 106.9(3) . . ?
C16C Si1C C2C 112.0(4) . . ?
C7C Si1C C2C 104.3(3) . . ?
C2D Si1D C7D 106.1(4) . . ?
C2D Si1D C16D 109.4(4) . . ?
C7D Si1D C16D 109.3(5) . . ?
C2D Si1D C11D 107.4(4) . . ?
C7D Si1D C11D 111.7(4) . . ?
C16D Si1D C11D 112.7(4) . . ?
C11E Si1E C7E 110.9(4) . . ?
C11E Si1E C16E 113.0(4) . . ?
C7E Si1E C16E 106.6(4) . . ?
C11E Si1E C2E 111.5(4) . . ?
C7E Si1E C2E 105.6(4) . . ?
C16E Si1E C2E 108.8(4) . . ?
C2F Si1F C11F 106.4(4) . . ?
C2F Si1F C16F 113.1(4) . . ?
C11F Si1F C16F 113.2(4) . . ?
C2F Si1F C7F 103.6(3) . . ?
C11F Si1F C7F 111.2(4) . . ?
C16F Si1F C7F 108.8(4) . . ?
C1 N1 Cu1 168.8(7) . . ?
C5A N1A C1A 117.1(7) . . ?
C5A N1A Cu1 119.5(5) . . ?
C1A N1A Cu1 123.2(5) . . ?
C1B N1B C5B 118.3(7) . . ?
C1B N1B Cu2 121.0(5) . . ?
C5B N1B Cu2 120.7(5) . . ?
C5C N1C C1C 118.9(7) . . ?
C5C N1C Cu3 119.4(6) . . ?
C1C N1C Cu3 121.7(5) . . ?
C1D N1D C5D 118.5(7) . . ?
C1D N1D Cu4 121.1(5) . . ?
C5D N1D Cu4 120.3(6) . . ?
C5E N1E C1E 118.5(7) . . ?
C5E N1E Cu5 121.0(6) . . ?
C1E N1E Cu5 120.5(5) . . ?
C1F N1F C5F 119.1(7) . . ?
C1F N1F Cu6 121.6(5) . . ?
C5F N1F Cu6 119.3(5) . . ?
N1 C1 C2 178.6(11) . . ?
C2A C1A N1A 123.7(7) . . ?
C2A C1A H1A 118.1 . . ?
N1A C1A H1A 118.1 . . ?
N1B C1B C2B 126.8(7) . . ?
N1B C1B H1B 116.6 . . ?
C2B C1B H1B 116.6 . . ?
N1C C1C C2C 123.6(7) . . ?
N1C C1C H1C 118.2 . . ?
C2C C1C H1C 118.2 . . ?
N1D C1D C2D 123.4(7) . . ?
N1D C1D H1D 118.3 . . ?
C2D C1D H1D 118.3 . . ?
N1E C1E C2E 123.7(7) . . ?
N1E C1E H1E 118.2 . . ?
C2E C1E H1E 118.2 . . ?
N1F C1F C2F 124.3(7) . . ?
N1F C1F H1F 117.8 . . ?
C2F C1F H1F 117.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C33T C27T 1.48(3) . ?
C33T H33A 0.9700 . ?
C33T H33B 0.9700 . ?
C33T H33C 0.9700 . ?
C1T C2T 1.3900 . ?
C1T C6T 1.3900 . ?
C1T C7T 1.488(13) . ?
C2T C3T 1.3900 . ?
C2T H2T 0.9400 . ?
C3T C4T 1.3900 . ?
C3T H3T 0.9400 . ?
C4T C5T 1.3900 . ?
C4T H4T 0.9400 . ?
C5T C6T 1.3900 . ?
C5T H5T 0.9400 . ?
C6T H6T 0.9400 . ?
C7T H7T1 0.9700 . ?
C7T H7T2 0.9700 . ?
C7T H7T3 0.9700 . ?
C8T C9T 1.3900 . ?
C8T C13T 1.3900 . ?
C8T C14T 1.490(9) . ?
C9T C10T 1.3900 . ?
C9T H9T 0.9400 . ?
C10T C11T 1.3900 . ?
C10T H10T 0.9400 . ?
C11T C12T 1.3900 . ?
C11T H11T 0.9400 . ?
C12T C13T 1.3900 . ?
C12T H12T 0.9400 . ?
C13T H13T 0.9400 . ?
C20T C21T 1.3900 . ?
C20T C25T 1.3900 . ?
C20T H20T 0.9400 . ?
C21T C22T 1.3900 . ?
C21T H21T 0.9400 . ?
C22T C23T 1.3900 . ?
C22T H22T 0.9400 . ?
C23T C24T 1.3900 . ?
C23T H23T 0.9400 . ?
C24T C25T 1.3900 . ?
C24T H24T 0.9400 . ?
C25T C26T 1.519(9) . ?
C26T H26G 0.9700 . ?
C26T H26H 0.9700 . ?
C26T H26I 0.9700 . ?
C31T C32T 1.3900 . ?
C31T C30T 1.3900 . ?
C31T H31T 0.9400 . ?
C32T C27T 1.3900 . ?
C32T H32T 0.9400 . ?
C27T C28T 1.3900 . ?
C28T C29T 1.3900 . ?
C28T H28T 0.9400 . ?
C29T C30T 1.3900 . ?
C29T H29T 0.9400 . ?
C30T H30T 0.9400 . ?
Cu1 N3A 2.019(6) . ?
Cu1 N1A 2.027(6) . ?
Cu1 N2F 2.029(6) . ?
Cu1 N4F 2.044(6) . ?
Cu1 N1 2.361(8) . ?
Cu2 N2A 2.039(6) . ?
Cu2 N3B 2.040(6) . ?
Cu2 N4A 2.040(7) . ?
Cu2 N1B 2.040(7) . ?
Cu2 O21 2.379(6) . ?
Cl2 O8 1.415(6) . ?
Cl2 O5 1.441(6) . ?
Cl2 O6 1.450(6) . ?
Cl2 O7 1.455(7) . ?
Si2A C36A 1.869(9) . ?
Si2A C31A 1.875(10) . ?
Si2A C22A 1.878(9) . ?
Si2A C27A 1.881(8) . ?
Si2B C36B 1.843(9) . ?
Si2B C27B 1.887(8) . ?
Si2B C31B 1.892(9) . ?
Si2B C22B 1.896(8) . ?
Si2C C31C 1.857(11) . ?
Si2C C36C 1.867(11) . ?
Si2C C27C 1.880(8) . ?
Si2C C22C 1.910(9) . ?
Si2D C31D 1.859(12) . ?
Si2D C36D 1.871(11) . ?
Si2D C22D 1.873(9) . ?
Si2D C27D 1.903(9) . ?
Si2E C31E 1.881(8) . ?
Si2E C22E 1.881(8) . ?
Si2E C36E 1.894(8) . ?
Si2E C27E 1.901(8) . ?
Si2F C31F 1.845(9) . ?
Si2F C22F 1.861(8) . ?
Si2F C36F 1.870(10) . ?
Si2F C27F 1.902(8) . ?
O2 Cl1 1.420(6) . ?
N2 C3 1.099(11) . ?
N2 Cu3 2.401(8) . ?
N2A C6A 1.347(10) . ?
N2A C10A 1.348(10) . ?
N2B C6B 1.351(9) . ?
N2B C10B 1.355(9) . ?
N2B Cu3 2.020(6) . ?
N2C C6C 1.343(9) . ?
N2C C10C 1.345(10) . ?
N2C Cu4 2.003(6) . ?
N2D C10D 1.328(11) . ?
N2D C6D 1.350(11) . ?
N2D Cu5 2.036(7) . ?
N2E C10E 1.319(9) . ?
N2E C6E 1.354(10) . ?
N2E Cu6 2.029(6) . ?
N2F C10F 1.335(9) . ?
N2F C6F 1.360(9) . ?
C2 C1 1.475(13) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C2A C1A 1.364(11) . ?
C2A C3A 1.389(11) . ?
C2A Si1A 1.895(8) . ?
C2B C1B 1.373(11) . ?
C2B C3B 1.446(11) . ?
C2B Si1B 1.872(8) . ?
C2C C1C 1.374(10) . ?
C2C C3C 1.376(11) . ?
C2C Si1C 1.897(8) . ?
C2D C3D 1.411(12) . ?
C2D C1D 1.422(11) . ?
C2D Si1D 1.862(9) . ?
C2E C1E 1.391(11) . ?
C2E C3E 1.401(11) . ?
C2E Si1E 1.900(8) . ?
C2F C3F 1.400(11) . ?
C2F C1F 1.419(11) . ?
C2F Si1F 1.871(8) . ?
Cu3 N3C 2.000(6) . ?
Cu3 N4B 2.042(6) . ?
Cu3 N1C 2.067(6) . ?
Cl3 O11 1.402(6) . ?
Cl3 O10 1.406(6) . ?
Cl3 O12 1.452(6) . ?
Cl3 O9 1.454(5) . ?
O3 Cl1 1.432(6) . ?
N3 C5 1.122(10) . ?
N3 Cu4 2.343(7) . ?
N3A C25A 1.339(10) . ?
N3A C21A 1.345(10) . ?
N3B C21B 1.338(9) . ?
N3B C25B 1.339(9) . ?
N3C C25C 1.337(9) . ?
N3C C21C 1.377(10) . ?
N3D C21D 1.325(10) . ?
N3D C25D 1.340(10) . ?
N3D Cu4 2.033(7) . ?
N3E C21E 1.339(10) . ?
N3E C25E 1.343(10) . ?
N3E Cu5 2.026(6) . ?
N3F C21F 1.337(9) . ?
N3F C25F 1.369(9) . ?
N3F Cu6 2.028(6) . ?
C3 C4 1.491(13) . ?
C3A C4A 1.375(12) . ?
C3A H3A 0.9400 . ?
C3B C4B 1.365(12) . ?
C3B H3B 0.9400 . ?
C3C C4C 1.348(12) . ?
C3C H3C 0.9400 . ?
C3D C4D 1.376(12) . ?
C3D H3D 0.9400 . ?
C3E C4E 1.357(12) . ?
C3E H3E 0.9400 . ?
C3F C4F 1.357(12) . ?
C3F H3F 0.9400 . ?
Cu4 N1D 2.043(6) . ?
Cu4 N4C 2.045(6) . ?
Cl4 O15 1.385(7) . ?
Cl4 O13 1.430(6) . ?
Cl4 O14 1.441(6) . ?
Cl4 O16 1.493(8) . ?
O4 Cl1 1.422(6) . ?
N4 C7 1.145(11) . ?
N4 Cu6 2.449(8) . ?
N4A C30A 1.338(10) . ?
N4A C26A 1.353(10) . ?
N4B C26B 1.350(9) . ?
N4B C30B 1.359(10) . ?
N4C C30C 1.313(9) . ?
N4C C26C 1.363(10) . ?
N4D C26D 1.323(10) . ?
N4D C30D 1.349(11) . ?
N4D Cu5 2.012(7) . ?
N4E C26E 1.340(9) . ?
N4E C30E 1.346(10) . ?
N4E Cu6 2.058(7) . ?
N4F C30F 1.329(9) . ?
N4F C26F 1.357(9) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C4A C5A 1.408(12) . ?
C4A H4AA 0.9400 . ?
C4B C5B 1.387(11) . ?
C4B H4BA 0.9400 . ?
C4C C5C 1.378(13) . ?
C4C H4CA 0.9400 . ?
C4D C5D 1.320(12) . ?
C4D H4D 0.9400 . ?
C4E C5E 1.396(12) . ?
C4E H4E 0.9400 . ?
C4F C5F 1.367(12) . ?
C4F H4F 0.9400 . ?
Cu5 N1E 2.034(7) . ?
Cu5 O29 2.405(7) . ?
Cl5 O19 1.356(9) . ?
Cl5 O20 1.428(9) . ?
Cl5 O17 1.432(6) . ?
Cl5 O18 1.465(8) . ?
C5 C6 1.508(13) . ?
C5A N1A 1.328(9) . ?
C5A H5A 0.9400 . ?
C5B N1B 1.344(9) . ?
C5B H5B 0.9400 . ?
C5C N1C 1.323(10) . ?
C5C H5C 0.9400 . ?
C5D N1D 1.344(10) . ?
C5D H5D 0.9400 . ?
C5E N1E 1.335(10) . ?
C5E H5E 0.9400 . ?
C5F N1F 1.343(10) . ?
C5F H5F 0.9400 . ?
Cu6 N1F 2.056(6) . ?
Cl6 O24 1.254(15) . ?
Cl6 O21 1.286(7) . ?
Cl6 O23 1.417(12) . ?
Cl6 O22 1.499(16) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C6A C7A 1.395(11) . ?
C6A H6AA 0.9400 . ?
C6B C7B 1.382(11) . ?
C6B H6BA 0.9400 . ?
C6C C7C 1.394(11) . ?
C6C H6CA 0.9400 . ?
C6D C7D 1.402(11) . ?
C6D H6D 0.9400 . ?
C6E C7E 1.401(11) . ?
C6E H6E 0.9400 . ?
C6F C7F 1.362(10) . ?
C6F H6F 0.9400 . ?
Cl7 O27 1.346(10) . ?
Cl7 O25 1.384(7) . ?
Cl7 O26 1.452(9) . ?
Cl7 O28 1.505(12) . ?
C7 C8 1.516(12) . ?
C7A C8A 1.437(12) . ?
C7A Si1A 1.874(9) . ?
C7B C8B 1.354(11) . ?
C7B Si1B 1.903(8) . ?
C7C C8C 1.410(11) . ?
C7C Si1C 1.872(8) . ?
C7D C8D 1.406(12) . ?
C7D Si1D 1.869(10) . ?
C7E C8E 1.422(12) . ?
C7E Si1E 1.863(9) . ?
C7F C8F 1.383(10) . ?
C7F Si1F 1.902(7) . ?
Cl8 O31 1.320(13) . ?
Cl8 O29 1.353(7) . ?
Cl8 O30 1.368(12) . ?
Cl8 O32 1.397(11) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C8A C9A 1.329(13) . ?
C8A H8AA 0.9400 . ?
C8B C9B 1.365(11) . ?
C8B H8BA 0.9400 . ?
C8C C9C 1.395(11) . ?
C8C H8CA 0.9400 . ?
C8D C9D 1.358(13) . ?
C8D H8D 0.9400 . ?
C8E C9E 1.369(12) . ?
C8E H8E 0.9400 . ?
C8F C9F 1.366(10) . ?
C8F H8F 0.9400 . ?
Cl9 O35 1.268(12) . ?
Cl9 O36 1.316(12) . ?
Cl9 O33 1.345(15) . ?
Cl9 O34 1.357(8) . ?
C9A C10A 1.371(12) . ?
C9A H9A 0.9400 . ?
C9B C10B 1.360(11) . ?
C9B H9B 0.9400 . ?
C9C C10C 1.366(11) . ?
C9C H9C 0.9400 . ?
C9D C10D 1.301(12) . ?
C9D H9D 0.9400 . ?
C9E C10E 1.396(11) . ?
C9E H9E 0.9400 . ?
C9F C10F 1.359(11) . ?
C9F H9F 0.9400 . ?
Cl10 O37 1.330(11) . ?
Cl10 O39 1.370(8) . ?
Cl10 O40 1.373(15) . ?
Cl10 O38 1.473(14) . ?
C10A H10A 0.9400 . ?
C10B H10B 0.9400 . ?
C10C H10C 0.9400 . ?
C10D H10D 0.9400 . ?
C10E H10E 0.9400 . ?
C10F H10F 0.9400 . ?
Cl11 O42 1.308(10) . ?
Cl11 O41 1.333(15) . ?
Cl11 O43 1.438(13) . ?
Cl11 O44 1.528(18) . ?
C11A C12A 1.551(14) . ?
C11A C15A 1.574(14) . ?
C11A Si1A 1.856(10) . ?
C11A H11A 0.9900 . ?
C11B C15B 1.517(12) . ?
C11B C12B 1.529(12) . ?
C11B Si1B 1.862(9) . ?
C11B H11B 0.9900 . ?
C11C C12C 1.521(13) . ?
C11C C15C 1.539(12) . ?
C11C Si1C 1.846(8) . ?
C11C H11C 0.9900 . ?
C11D C15D 1.510(13) . ?
C11D C12D 1.535(13) . ?
C11D Si1D 1.879(10) . ?
C11D H11D 0.9900 . ?
C11E C12E 1.497(12) . ?
C11E C15E 1.563(13) . ?
C11E Si1E 1.863(9) . ?
C11E H11E 0.9900 . ?
C11F C12F 1.484(12) . ?
C11F C15F 1.551(12) . ?
C11F Si1F 1.875(8) . ?
C11F H11F 0.9900 . ?
Cl12 O47 1.445(12) . ?
Cl12 O45 1.448(10) . ?
Cl12 O48 1.471(12) . ?
Cl12 O46 1.504(14) . ?
C12A C13A 1.553(16) . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12B C13B 1.533(12) . ?
C12B H12C 0.9800 . ?
C12B H12D 0.9800 . ?
C12C C13C 1.532(14) . ?
C12C H12E 0.9800 . ?
C12C H12F 0.9800 . ?
C12D C13D 1.495(14) . ?
C12D H12G 0.9800 . ?
C12D H12H 0.9800 . ?
C12E C13E 1.491(12) . ?
C12E H12I 0.9800 . ?
C12E H12J 0.9800 . ?
C12F C13F 1.460(14) . ?
C12F H12K 0.9800 . ?
C12F H12L 0.9800 . ?
C13A C14A 1.440(12) . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13B C14B 1.459(15) . ?
C13B H13C 0.9800 . ?
C13B H13D 0.9800 . ?
C13C C14C 1.481(15) . ?
C13C H13E 0.9800 . ?
C13C H13F 0.9800 . ?
C13D C14D 1.476(15) . ?
C13D H13G 0.9800 . ?
C13D H13H 0.9800 . ?
C13E C14E 1.506(15) . ?
C13E H13I 0.9800 . ?
C13E H13J 0.9800 . ?
C13F C14F 1.487(15) . ?
C13F H13K 0.9800 . ?
C13F H13L 0.9800 . ?
C14A C15A 1.510(17) . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14B C15B 1.593(14) . ?
C14B H14Z 0.9800 . ?
C14B H14C 0.9800 . ?
C14C C15C 1.516(14) . ?
C14C H14D 0.9800 . ?
C14C H14E 0.9800 . ?
C14D C15D 1.569(14) . ?
C14D H14F 0.9800 . ?
C14D H14G 0.9800 . ?
C14E C15E 1.511(15) . ?
C14E H14H 0.9800 . ?
C14E H14I 0.9800 . ?
C14F C15F 1.548(13) . ?
C14F H14J 0.9800 . ?
C14F H14K 0.9800 . ?
C14T H14L 0.9700 . ?
C14T H14M 0.9700 . ?
C14T H14N 0.9700 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15B H15C 0.9800 . ?
C15B H15D 0.9800 . ?
C15C H15E 0.9800 . ?
C15C H15F 0.9800 . ?
C15D H15G 0.9800 . ?
C15D H15H 0.9800 . ?
C15E H15I 0.9800 . ?
C15E H15J 0.9800 . ?
C15F H15K 0.9800 . ?
C15F H15L 0.9800 . ?
C15T C16T 1.389(11) 2_765 ?
C15T C16T 1.389(11) . ?
C15T C19T 1.48(3) . ?
C16A C17A 1.478(11) . ?
C16A C20A 1.524(11) . ?
C16A Si1A 1.885(10) . ?
C16A H16A 0.9900 . ?
C16B C17B 1.500(10) . ?
C16B C20B 1.523(10) . ?
C16B Si1B 1.897(9) . ?
C16B H16B 0.9900 . ?
C16C C17C 1.485(12) . ?
C16C C20C 1.558(12) . ?
C16C Si1C 1.866(8) . ?
C16C H16C 0.9900 . ?
C16D C20D 1.512(10) . ?
C16D C17D 1.536(11) . ?
C16D Si1D 1.875(10) . ?
C16D H16D 0.9900 . ?
C16E C17E 1.469(15) . ?
C16E C20E 1.548(14) . ?
C16E Si1E 1.890(10) . ?
C16E H16E 0.9900 . ?
C16F C20F 1.510(12) . ?
C16F C17F 1.567(13) . ?
C16F Si1F 1.880(8) . ?
C16F H16F 0.9900 . ?
C16T C17T 1.416(17) . ?
C16T H16T 0.9400 . ?
C17A C18A 1.537(12) . ?
C17A H17A 0.9800 . ?
C17A H17B 0.9800 . ?
C17B C18B 1.486(11) . ?
C17B H17C 0.9800 . ?
C17B H17D 0.9800 . ?
C17C C18C 1.559(13) . ?
C17C H17E 0.9800 . ?
C17C H17F 0.9800 . ?
C17D C18D 1.495(11) . ?
C17D H17G 0.9800 . ?
C17D H17H 0.9800 . ?
C17E C18E 1.531(11) . ?
C17E H17I 0.9800 . ?
C17E H17J 0.9800 . ?
C17F C18F 1.520(14) . ?
C17F H17L 0.9800 . ?
C17F H17M 0.9800 . ?
C17T C18T 1.319(16) . ?
C17T H17T 0.9400 . ?
C18A C19A 1.490(12) . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18B C19B 1.521(11) . ?
C18B H18C 0.9800 . ?
C18B H18D 0.9800 . ?
C18C C19C 1.428(13) . ?
C18C H18E 0.9800 . ?
C18C H18F 0.9800 . ?
C18D C19D 1.509(12) . ?
C18D H18G 0.9800 . ?
C18D H18H 0.9800 . ?
C18E C19E 1.505(12) . ?
C18E H18I 0.9800 . ?
C18E H18J 0.9800 . ?
C18F C19F 1.445(16) . ?
C18F H18Z 0.9800 . ?
C18F H18Y 0.9800 . ?
C18T H18T 0.9400 . ?
C19A C20A 1.510(11) . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19B C20B 1.431(11) . ?
C19B H19C 0.9800 . ?
C19B H19D 0.9800 . ?
C19C C20C 1.541(13) . ?
C19C H19E 0.9800 . ?
C19C H19F 0.9800 . ?
C19D C20D 1.522(11) . ?
C19D H19G 0.9800 . ?
C19D H19H 0.9800 . ?
C19E C20E 1.557(17) . ?
C19E H19I 0.9800 . ?
C19E H19J 0.9800 . ?
C19F C20F 1.529(14) . ?
C19F H19L 0.9800 . ?
C19F H19M 0.9800 . ?
C19T H19N 0.9700 . ?
C19T H19O 0.9700 . ?
C19T H19P 0.9700 . ?
C19T H19N 0.970(7) 2_765 ?
C19T H19O 0.970(6) 2_765 ?
C19T H19P 0.970(5) 2_765 ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C20B H20C 0.9800 . ?
C20B H20D 0.9800 . ?
C20C H20E 0.9800 . ?
C20C H20F 0.9800 . ?
C20D H20G 0.9800 . ?
C20D H20H 0.9800 . ?
C20E H20I 0.9800 . ?
C20E H20J 0.9800 . ?
C20F H20K 0.9800 . ?
C20F H20L 0.9800 . ?
C21A C22A 1.406(11) . ?
C21A H21A 0.9400 . ?
C21B C22B 1.347(10) . ?
C21B H21B 0.9400 . ?
C21C C22C 1.349(11) . ?
C21C H21C 0.9400 . ?
C21D C22D 1.408(11) . ?
C21D H21D 0.9400 . ?
C21E C22E 1.396(11) . ?
C21E H21E 0.9400 . ?
C21F C22F 1.402(10) . ?
C21F H21F 0.9400 . ?
C22A C23A 1.401(12) . ?
C22B C23B 1.419(11) . ?
C22C C23C 1.394(11) . ?
C22D C23D 1.405(12) . ?
C22E C23E 1.399(11) . ?
C22F C23F 1.366(11) . ?
C23A C24A 1.391(13) . ?
C23A H23A 0.9400 . ?
C23B C24B 1.375(11) . ?
C23B H23B 0.9400 . ?
C23C C24C 1.346(12) . ?
C23C H23C 0.9400 . ?
C23D C24D 1.388(13) . ?
C23D H23D 0.9400 . ?
C23E C24E 1.385(11) . ?
C23E H23E 0.9400 . ?
C23F C24F 1.389(11) . ?
C23F H23F 0.9400 . ?
C24A C25A 1.384(12) . ?
C24A H24A 0.9400 . ?
C24B C25B 1.378(11) . ?
C24B H24B 0.9400 . ?
C24C C25C 1.395(11) . ?
C24C H24C 0.9400 . ?
C24D C25D 1.404(13) . ?
C24D H24D 0.9400 . ?
C24E C25E 1.369(11) . ?
C24E H24E 0.9400 . ?
C24F C25F 1.347(11) . ?
C24F H24F 0.9400 . ?
C25A H25A 0.9400 . ?
C25B H25B 0.9400 . ?
C25C H25C 0.9400 . ?
C25D H25D 0.9400 . ?
C25E H25E 0.9400 . ?
C25F H25F 0.9400 . ?
C26A C27A 1.374(11) . ?
C26A H26A 0.9400 . ?
C26B C27B 1.383(10) . ?
C26B H26B 0.9400 . ?
C26C C27C 1.401(11) . ?
C26C H26C 0.9400 . ?
C26D C27D 1.401(12) . ?
C26D H26D 0.9400 . ?
C26E C27E 1.352(11) . ?
C26E H26E 0.9400 . ?
C26F C27F 1.385(11) . ?
C26F H26F 0.9400 . ?
C27A C28A 1.409(11) . ?
C27B C28B 1.368(11) . ?
C27C C28C 1.357(11) . ?
C27D C28D 1.367(12) . ?
C27E C28E 1.352(11) . ?
C27F C28F 1.403(11) . ?
C28A C29A 1.322(11) . ?
C28A H28A 0.9400 . ?
C28B C29B 1.385(12) . ?
C28B H28B 0.9400 . ?
C28C C29C 1.384(12) . ?
C28C H28C 0.9400 . ?
C28D C29D 1.354(12) . ?
C28D H28D 0.9400 . ?
C28E C29E 1.402(12) . ?
C28E H28E 0.9400 . ?
C28F C29F 1.341(11) . ?
C28F H28F 0.9400 . ?
C29A C30A 1.382(12) . ?
C29A H29A 0.9400 . ?
C29B C30B 1.310(12) . ?
C29B H29B 0.9400 . ?
C29C C30C 1.393(12) . ?
C29C H29C 0.9400 . ?
C29D C30D 1.360(13) . ?
C29D H29D 0.9400 . ?
C29E C30E 1.349(12) . ?
C29E H29E 0.9400 . ?
C29F C30F 1.401(11) . ?
C29F H29F 0.9400 . ?
C30A H30A 0.9400 . ?
C30B H30B 0.9400 . ?
C30C H30C 0.9400 . ?
C30D H30D 0.9400 . ?
C30E H30E 0.9400 . ?
C30F H30F 0.9400 . ?
C31A C32A 1.485(13) . ?
C31A C35A 1.524(14) . ?
C31A H31A 0.9900 . ?
C31B C35B 1.502(12) . ?
C31B C32B 1.587(12) . ?
C31B H31B 0.9900 . ?
C31C C35C 1.510(11) . ?
C31C C32C 1.564(11) . ?
C31C H31C 0.9900 . ?
C31D C32D 1.505(15) . ?
C31D C35D 1.581(14) . ?
C31D H31D 0.9900 . ?
C31E C35E 1.496(12) . ?
C31E C32E 1.544(13) . ?
C31E H31E 0.9900 . ?
C31F C32F 1.508(14) . ?
C31F C35F 1.518(14) . ?
C31F H31F 0.9900 . ?
C32A C33A 1.459(16) . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32B C33B 1.427(16) . ?
C32B H32C 0.9800 . ?
C32B H32D 0.9800 . ?
C32C C33C 1.482(12) . ?
C32C H32E 0.9800 . ?
C32C H32F 0.9800 . ?
C32D C33D 1.531(19) . ?
C32D H32G 0.9800 . ?
C32D H32H 0.9800 . ?
C32E C33E 1.518(16) . ?
C32E H32I 0.9800 . ?
C32E H32J 0.9800 . ?
C32F C33F 1.493(16) . ?
C32F H32K 0.9800 . ?
C32F H32L 0.9800 . ?
C33A C34A 1.54(2) . ?
C33A H33Z 0.9800 . ?
C33A H33D 0.9800 . ?
C33B C34B 1.473(16) . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C33C C34C 1.490(12) . ?
C33C H33G 0.9800 . ?
C33C H33H 0.9800 . ?
C33D C34D 1.453(19) . ?
C33D H33I 0.9800 . ?
C33D H33J 0.9800 . ?
C33E C34E 1.527(16) . ?
C33E H33K 0.9800 . ?
C33E H33L 0.9800 . ?
C33F C34F 1.577(17) . ?
C33F H33M 0.9800 . ?
C33F H33N 0.9800 . ?
C34A C35A 1.468(16) . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34B C35B 1.522(13) . ?
C34B H34C 0.9800 . ?
C34B H34D 0.9800 . ?
C34C C35C 1.516(11) . ?
C34C H34E 0.9800 . ?
C34C H34F 0.9800 . ?
C34D C35D 1.438(16) . ?
C34D H34G 0.9800 . ?
C34D H34H 0.9800 . ?
C34E C35E 1.447(13) . ?
C34E H34Z 0.9800 . ?
C34E H34I 0.9800 . ?
C34F C35F 1.494(14) . ?
C34F H34J 0.9800 . ?
C34F H34K 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35B H35C 0.9800 . ?
C35B H35D 0.9800 . ?
C35C H35E 0.9800 . ?
C35C H35F 0.9800 . ?
C35D H35G 0.9800 . ?
C35D H35H 0.9800 . ?
C35E H35I 0.9800 . ?
C35E H35J 0.9800 . ?
C35F H35K 0.9800 . ?
C35F H35L 0.9800 . ?
C36A C40A 1.492(14) . ?
C36A C37A 1.592(13) . ?
C36A H36A 0.9900 . ?
C36B C37B 1.521(12) . ?
C36B C40B 1.536(13) . ?
C36B H36B 0.9900 . ?
C36C C40C 1.460(16) . ?
C36C C37C 1.522(16) . ?
C36C H36C 0.9900 . ?
C36D C37D 1.502(12) . ?
C36D C40D 1.556(11) . ?
C36D H36D 0.9900 . ?
C36E C40E 1.544(12) . ?
C36E C37E 1.602(12) . ?
C36E H36E 0.9900 . ?
C36F C40F 1.574(16) . ?
C36F C37F 1.578(15) . ?
C36F H36F 0.9900 . ?
C37A C38A 1.569(16) . ?
C37A H37A 0.9800 . ?
C37A H37B 0.9800 . ?
C37B C38B 1.495(13) . ?
C37B H37C 0.9800 . ?
C37B H37D 0.9800 . ?
C37C C38C 1.524(19) . ?
C37C H37E 0.9800 . ?
C37C H37F 0.9800 . ?
C37D C38D 1.537(11) . ?
C37D H37G 0.9800 . ?
C37D H37H 0.9800 . ?
C37E C38E 1.460(14) . ?
C37E H37I 0.9800 . ?
C37E H37J 0.9800 . ?
C37F C38F 1.369(18) . ?
C37F H37K 0.9800 . ?
C37F H37L 0.9800 . ?
C38A C39A 1.412(18) . ?
C38A H38A 0.9800 . ?
C38A H38B 0.9800 . ?
C38B C39B 1.478(16) . ?
C38B H38C 0.9800 . ?
C38B H38D 0.9800 . ?
C38C C39C 1.38(2) . ?
C38C H38E 0.9800 . ?
C38C H38Z 0.9800 . ?
C38D C39D 1.480(12) . ?
C38D H38F 0.9800 . ?
C38D H38G 0.9800 . ?
C38E C39E 1.431(15) . ?
C38E H38H 0.9800 . ?
C38E H38I 0.9800 . ?
C38F C39F 1.43(2) . ?
C38F H38J 0.9800 . ?
C38F H38K 0.9800 . ?
C39A C40A 1.420(16) . ?
C39A H39A 0.9800 . ?
C39A H39B 0.9800 . ?
C39B C40B 1.508(15) . ?
C39B H39' 0.9800 . ?
C39B H39C 0.9800 . ?
C39C C40C 1.588(18) . ?
C39C H39D 0.9800 . ?
C39C H39Z 0.9800 . ?
C39D C40D 1.547(11) . ?
C39D H39E 0.9800 . ?
C39D H39F 0.9800 . ?
C39E C40E 1.404(13) . ?
C39E H39G 0.9800 . ?
C39E H39H 0.9800 . ?
C39F C40F 1.532(18) . ?
C39F H39I 0.9800 . ?
C39F H39J 0.9800 . ?
C40A H40A 0.9800 . ?
C40A H40B 0.9800 . ?
C40B H40C 0.9800 . ?
C40B H40D 0.9800 . ?
C40C H40E 0.9800 . ?
C40C H40F 0.9800 . ?
C40D H40G 0.9800 . ?
C40D H40H 0.9800 . ?
C40E H40I 0.9800 . ?
C40E H40J 0.9800 . ?
C40F H40K 0.9800 . ?
C40F H40L 0.9800 . ?
Cl1 O1 1.448(5) . ?
N1 C1 1.122(10) . ?
N1A C1A 1.372(10) . ?
N1B C1B 1.321(9) . ?
N1C C1C 1.343(9) . ?
N1D C1D 1.316(9) . ?
N1E C1E 1.346(10) . ?
N1F C1F 1.318(9) . ?
C1A H1A 0.9400 . ?
C1B H1B 0.9400 . ?
C1C H1C 0.9400 . ?
C1D H1D 0.9400 . ?
C1E H1E 0.9400 . ?
C1F H1F 0.9400 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6T C1T C2T C3T 0.0 . . . . ?
C7T C1T C2T C3T 177.0(14) . . . . ?
C1T C2T C3T C4T 0.0 . . . . ?
C2T C3T C4T C5T 0.0 . . . . ?
C3T C4T C5T C6T 0.0 . . . . ?
C4T C5T C6T C1T 0.0 . . . . ?
C2T C1T C6T C5T 0.0 . . . . ?
C7T C1T C6T C5T -176.7(15) . . . . ?
C13T C8T C9T C10T 0.0 . . . . ?
C14T C8T C9T C10T -177.2(11) . . . . ?
C8T C9T C10T C11T 0.0 . . . . ?
C9T C10T C11T C12T 0.0 . . . . ?
C10T C11T C12T C13T 0.0 . . . . ?
C11T C12T C13T C8T 0.0 . . . . ?
C9T C8T C13T C12T 0.0 . . . . ?
C14T C8T C13T C12T 177.2(11) . . . . ?
C25T C20T C21T C22T 0.0 . . . . ?
C20T C21T C22T C23T 0.0 . . . . ?
C21T C22T C23T C24T 0.0 . . . . ?
C22T C23T C24T C25T 0.0 . . . . ?
C23T C24T C25T C20T 0.0 . . . . ?
C23T C24T C25T C26T 166.4(18) . . . . ?
C21T C20T C25T C24T 0.0 . . . . ?
C21T C20T C25T C26T -166.6(17) . . . . ?
C30T C31T C32T C27T 0.0 . . . . ?
C31T C32T C27T C28T 0.0 . . . . ?
C31T C32T C27T C33T 178.1(17) . . . . ?
C32T C27T C28T C29T 0.0 . . . . ?
C33T C27T C28T C29T -178.0(18) . . . . ?
C27T C28T C29T C30T 0.0 . . . . ?
C28T C29T C30T C31T 0.0 . . . . ?
C32T C31T C30T C29T 0.0 . . . . ?
Cu3 N2 C3 C4 2(12) . . . . ?
C1A C2A C3A C4A -0.7(13) . . . . ?
Si1A C2A C3A C4A 179.4(7) . . . . ?
C1B C2B C3B C4B -1.8(12) . . . . ?
Si1B C2B C3B C4B 176.3(7) . . . . ?
C1C C2C C3C C4C 0.4(13) . . . . ?
Si1C C2C C3C C4C -179.8(8) . . . . ?
C1D C2D C3D C4D -3.8(13) . . . . ?
Si1D C2D C3D C4D 176.7(7) . . . . ?
C1E C2E C3E C4E -1.3(12) . . . . ?
Si1E C2E C3E C4E 176.5(7) . . . . ?
C1F C2F C3F C4F -1.9(13) . . . . ?
Si1F C2F C3F C4F -179.0(7) . . . . ?
C2A C3A C4A C5A 0.1(13) . . . . ?
C2B C3B C4B C5B 0.7(13) . . . . ?
C2C C3C C4C C5C -0.3(15) . . . . ?
C2D C3D C4D C5D 4.5(15) . . . . ?
C2E C3E C4E C5E 0.7(13) . . . . ?
C2F C3F C4F C5F 1.7(15) . . . . ?
C3A C4A C5A N1A 1.5(13) . . . . ?
C3B C4B C5B N1B 1.0(13) . . . . ?
C3C C4C C5C N1C 1.1(14) . . . . ?
C3D C4D C5D N1D -2.7(14) . . . . ?
C3E C4E C5E N1E -0.2(13) . . . . ?
C3F C4F C5F N1F -0.2(15) . . . . ?
C10A N2A C6A C7A -1.0(12) . . . . ?
Cu2 N2A C6A C7A -179.0(6) . . . . ?
C10B N2B C6B C7B 2.3(11) . . . . ?
Cu3 N2B C6B C7B 177.4(6) . . . . ?
C10C N2C C6C C7C -3.5(11) . . . . ?
Cu4 N2C C6C C7C 171.5(6) . . . . ?
C10D N2D C6D C7D 1.3(12) . . . . ?
Cu5 N2D C6D C7D -175.2(6) . . . . ?
C10E N2E C6E C7E 0.7(11) . . . . ?
Cu6 N2E C6E C7E 178.6(6) . . . . ?
C10F N2F C6F C7F 3.5(10) . . . . ?
Cu1 N2F C6F C7F 176.4(5) . . . . ?
Cu6 N4 C7 C8 -25(13) . . . . ?
N2A C6A C7A C8A 3.9(12) . . . . ?
N2A C6A C7A Si1A -177.9(6) . . . . ?
N2B C6B C7B C8B -2.4(11) . . . . ?
N2B C6B C7B Si1B -178.9(5) . . . . ?
N2C C6C C7C C8C 2.1(11) . . . . ?
N2C C6C C7C Si1C -176.7(6) . . . . ?
N2D C6D C7D C8D 0.8(12) . . . . ?
N2D C6D C7D Si1D -173.6(6) . . . . ?
N2E C6E C7E C8E -1.8(11) . . . . ?
N2E C6E C7E Si1E -174.7(6) . . . . ?
N2F C6F C7F C8F -2.8(10) . . . . ?
N2F C6F C7F Si1F -179.4(5) . . . . ?
C6A C7A C8A C9A -4.1(13) . . . . ?
Si1A C7A C8A C9A 177.7(7) . . . . ?
C6B C7B C8B C9B 2.1(12) . . . . ?
Si1B C7B C8B C9B 178.5(7) . . . . ?
C6C C7C C8C C9C 0.0(11) . . . . ?
Si1C C7C C8C C9C 178.8(6) . . . . ?
C6D C7D C8D C9D 0.3(13) . . . . ?
Si1D C7D C8D C9D 174.6(8) . . . . ?
C6E C7E C8E C9E 0.7(12) . . . . ?
Si1E C7E C8E C9E 173.5(7) . . . . ?
C6F C7F C8F C9F 0.6(10) . . . . ?
Si1F C7F C8F C9F 177.2(6) . . . . ?
C7A C8A C9A C10A 1.5(15) . . . . ?
C7B C8B C9B C10B -1.8(13) . . . . ?
C7C C8C C9C C10C -0.4(11) . . . . ?
C7D C8D C9D C10D -3.6(15) . . . . ?
C7E C8E C9E C10E 1.3(13) . . . . ?
C7F C8F C9F C10F 0.8(11) . . . . ?
C6A N2A C10A C9A -1.9(12) . . . . ?
Cu2 N2A C10A C9A 176.0(7) . . . . ?
C8A C9A C10A N2A 1.6(15) . . . . ?
C6B N2B C10B C9B -2.0(11) . . . . ?
Cu3 N2B C10B C9B -177.1(6) . . . . ?
C8B C9B C10B N2B 1.7(13) . . . . ?
C6C N2C C10C C9C 3.0(11) . . . . ?
Cu4 N2C C10C C9C -172.1(6) . . . . ?
C8C C9C C10C N2C -1.2(12) . . . . ?
C8D C9D C10D N2D 6.2(16) . . . . ?
C6D N2D C10D C9D -5.0(13) . . . . ?
Cu5 N2D C10D C9D 171.5(8) . . . . ?
C6E N2E C10E C9E 1.5(11) . . . . ?
Cu6 N2E C10E C9E -176.4(6) . . . . ?
C8E C9E C10E N2E -2.6(12) . . . . ?
C6F N2F C10F C9F -2.0(10) . . . . ?
Cu1 N2F C10F C9F -174.9(5) . . . . ?
C8F C9F C10F N2F 0.0(11) . . . . ?
C15A C11A C12A C13A 6.2(11) . . . . ?
Si1A C11A C12A C13A 129.6(8) . . . . ?
C15B C11B C12B C13B -37.0(9) . . . . ?
Si1B C11B C12B C13B -164.8(6) . . . . ?
C15C C11C C12C C13C 35.6(11) . . . . ?
Si1C C11C C12C C13C 160.0(8) . . . . ?
C15D C11D C12D C13D 3.9(11) . . . . ?
Si1D C11D C12D C13D 130.8(8) . . . . ?
C15E C11E C12E C13E -40.9(9) . . . . ?
Si1E C11E C12E C13E -167.7(6) . . . . ?
C15F C11F C12F C13F 33.9(11) . . . . ?
Si1F C11F C12F C13F 156.6(8) . . . . ?
C11A C12A C13A C14A 13.6(13) . . . . ?
C11B C12B C13B C14B 29.7(10) . . . . ?
C11C C12C C13C C14C -18.8(13) . . . . ?
C11D C12D C13D C14D 23.0(12) . . . . ?
C11E C12E C13E C14E 36.5(9) . . . . ?
C11F C12F C13F C14F -16.0(13) . . . . ?
C12A C13A C14A C15A -29.7(15) . . . . ?
C12B C13B C14B C15B -10.9(12) . . . . ?
C12C C13C C14C C15C -6.6(14) . . . . ?
C12D C13D C14D C15D -39.8(11) . . . . ?
C12E C13E C14E C15E -17.5(12) . . . . ?
C12F C13F C14F C15F -8.8(13) . . . . ?
C13A C14A C15A C11A 33.4(14) . . . . ?
C12A C11A C15A C14A -22.8(11) . . . . ?
Si1A C11A C15A C14A -149.2(8) . . . . ?
C12B C11B C15B C14B 30.1(10) . . . . ?
Si1B C11B C15B C14B 160.6(7) . . . . ?
C13B C14B C15B C11B -12.1(12) . . . . ?
C13C C14C C15C C11C 29.6(12) . . . . ?
C12C C11C C15C C14C -40.6(10) . . . . ?
Si1C C11C C15C C14C -171.7(7) . . . . ?
C12D C11D C15D C14D -27.4(11) . . . . ?
Si1D C11D C15D C14D -156.3(7) . . . . ?
C13D C14D C15D C11D 42.3(11) . . . . ?
C13E C14E C15E C11E -7.0(12) . . . . ?
C12E C11E C15E C14E 28.6(10) . . . . ?
Si1E C11E C15E C14E 158.2(7) . . . . ?
C13F C14F C15F C11F 28.7(11) . . . . ?
C12F C11F C15F C14F -38.0(10) . . . . ?
Si1F C11F C15F C14F -169.0(7) . . . . ?
C16T C15T C16T C17T -0.7(6) 2_765 . . . ?
C19T C15T C16T C17T 179.3(6) . . . . ?
C20A C16A C17A C18A -41.2(14) . . . . ?
Si1A C16A C17A C18A -171.4(9) . . . . ?
C20B C16B C17B C18B 16.6(12) . . . . ?
Si1B C16B C17B C18B -108.3(9) . . . . ?
C20C C16C C17C C18C -30.5(10) . . . . ?
Si1C C16C C17C C18C -153.8(7) . . . . ?
C20D C16D C17D C18D -37.8(13) . . . . ?
Si1D C16D C17D C18D -163.6(9) . . . . ?
C20E C16E C17E C18E 1.6(14) . . . . ?
Si1E C16E C17E C18E -119.3(10) . . . . ?
C20F C16F C17F C18F -23.1(11) . . . . ?
Si1F C16F C17F C18F -148.6(8) . . . . ?
C15T C16T C17T C18T 1.4(14) . . . . ?
C16A C17A C18A C19A 29.8(17) . . . . ?
C16B C17B C18B C19B -32.6(14) . . . . ?
C16C C17C C18C C19C 29.5(12) . . . . ?
C16D C17D C18D C19D 26.8(16) . . . . ?
C16E C17E C18E C19E -31.0(15) . . . . ?
C16F C17F C18F C19F 13.7(14) . . . . ?
C16T C17T C18T C17T -0.7(7) . . . 2_765 ?
C17A C18A C19A C20A -6.2(19) . . . . ?
C17B C18B C19B C20B 36.5(16) . . . . ?
C17C C18C C19C C20C -15.6(13) . . . . ?
C17D C18D C19D C20D -5.3(18) . . . . ?
C17E C18E C19E C20E 45.9(14) . . . . ?
C17F C18F C19F C20F 1.1(16) . . . . ?
C18A C19A C20A C16A -18.9(19) . . . . ?
C17A C16A C20A C19A 37.5(15) . . . . ?
Si1A C16A C20A C19A 170.7(11) . . . . ?
C18B C19B C20B C16B -25.5(15) . . . . ?
C17B C16B C20B C19B 6.1(14) . . . . ?
Si1B C16B C20B C19B 131.7(10) . . . . ?
C18C C19C C20C C16C -3.0(12) . . . . ?
C17C C16C C20C C19C 21.1(10) . . . . ?
Si1C C16C C20C C19C 148.0(7) . . . . ?
C17D C16D C20D C19D 34.0(14) . . . . ?
Si1D C16D C20D C19D 161.4(10) . . . . ?
C18D C19D C20D C16D -18.5(17) . . . . ?
C17E C16E C20E C19E 26.7(13) . . . . ?
Si1E C16E C20E C19E 152.4(9) . . . . ?
C18E C19E C20E C16E -43.2(13) . . . . ?
C17F C16F C20F C19F 24.1(11) . . . . ?
Si1F C16F C20F C19F 150.0(8) . . . . ?
C18F C19F C20F C16F -16.2(14) . . . . ?
C25A N3A C21A C22A -0.4(11) . . . . ?
Cu1 N3A C21A C22A 176.4(6) . . . . ?
C25B N3B C21B C22B 2.0(11) . . . . ?
Cu2 N3B C21B C22B 178.6(6) . . . . ?
C25C N3C C21C C22C -1.1(11) . . . . ?
Cu3 N3C C21C C22C -178.8(6) . . . . ?
C25D N3D C21D C22D 0.4(12) . . . . ?
Cu4 N3D C21D C22D 176.0(6) . . . . ?
C25E N3E C21E C22E -1.3(12) . . . . ?
Cu5 N3E C21E C22E 179.4(6) . . . . ?
C25F N3F C21F C22F -2.5(11) . . . . ?
Cu6 N3F C21F C22F -177.3(5) . . . . ?
N3A C21A C22A C23A 2.7(11) . . . . ?
N3A C21A C22A Si2A -173.7(6) . . . . ?
C36A Si2A C22A C23A -60.7(8) . . . . ?
C31A Si2A C22A C23A 173.5(7) . . . . ?
C27A Si2A C22A C23A 59.1(8) . . . . ?
C36A Si2A C22A C21A 115.5(7) . . . . ?
C31A Si2A C22A C21A -10.4(8) . . . . ?
C27A Si2A C22A C21A -124.8(6) . . . . ?
N3B C21B C22B C23B -1.2(11) . . . . ?
N3B C21B C22B Si2B -176.8(6) . . . . ?
C36B Si2B C22B C21B 94.9(7) . . . . ?
C27B Si2B C22B C21B -146.5(6) . . . . ?
C31B Si2B C22B C21B -26.0(8) . . . . ?
C36B Si2B C22B C23B -80.5(7) . . . . ?
C27B Si2B C22B C23B 38.1(7) . . . . ?
C31B Si2B C22B C23B 158.6(6) . . . . ?
N3C C21C C22C C23C -0.9(12) . . . . ?
N3C C21C C22C Si2C -176.3(6) . . . . ?
N3D C21D C22D C23D 1.6(12) . . . . ?
N3D C21D C22D Si2D -174.3(6) . . . . ?
C31D Si2D C22D C23D 172.1(7) . . . . ?
C36D Si2D C22D C23D -57.9(9) . . . . ?
C27D Si2D C22D C23D 57.7(8) . . . . ?
C31D Si2D C22D C21D -12.3(8) . . . . ?
C36D Si2D C22D C21D 117.7(8) . . . . ?
C27D Si2D C22D C21D -126.7(7) . . . . ?
N3E C21E C22E C23E 1.1(12) . . . . ?
N3E C21E C22E Si2E -174.3(6) . . . . ?
C31E Si2E C22E C21E -28.2(8) . . . . ?
C36E Si2E C22E C21E 95.2(7) . . . . ?
C27E Si2E C22E C21E -148.4(6) . . . . ?
C31E Si2E C22E C23E 156.6(6) . . . . ?
C36E Si2E C22E C23E -80.0(7) . . . . ?
C27E Si2E C22E C23E 36.3(7) . . . . ?
N3F C21F C22F C23F 3.7(11) . . . . ?
N3F C21F C22F Si2F -173.6(6) . . . . ?
C31F Si2F C22F C23F 161.9(7) . . . . ?
C36F Si2F C22F C23F -76.5(7) . . . . ?
C27F Si2F C22F C23F 40.4(7) . . . . ?
C31F Si2F C22F C21F -21.0(8) . . . . ?
C36F Si2F C22F C21F 100.7(7) . . . . ?
C27F Si2F C22F C21F -142.5(6) . . . . ?
C21A C22A C23A C24A -1.8(13) . . . . ?
Si2A C22A C23A C24A 174.6(7) . . . . ?
C21B C22B C23B C24B 1.4(11) . . . . ?
Si2B C22B C23B C24B 177.1(6) . . . . ?
C21C C22C C23C C24C 4.3(12) . . . . ?
Si2C C22C C23C C24C 179.8(7) . . . . ?
C21D C22D C23D C24D 0.4(13) . . . . ?
Si2D C22D C23D C24D 176.3(7) . . . . ?
C21E C22E C23E C24E -2.9(11) . . . . ?
Si2E C22E C23E C24E 172.5(6) . . . . ?
C21F C22F C23F C24F -2.5(11) . . . . ?
Si2F C22F C23F C24F 174.8(6) . . . . ?
C22A C23A C24A C25A -1.2(15) . . . . ?
C22B C23B C24B C25B -2.4(12) . . . . ?
C22C C23C C24C C25C -5.7(13) . . . . ?
C22D C23D C24D C25D -4.0(14) . . . . ?
C22E C23E C24E C25E 5.1(12) . . . . ?
C22F C23F C24F C25F 0.4(12) . . . . ?
C21A N3A C25A C24A -2.9(12) . . . . ?
Cu1 N3A C25A C24A -179.7(7) . . . . ?
C23A C24A C25A N3A 3.7(14) . . . . ?
C21B N3B C25B C24B -3.1(11) . . . . ?
Cu2 N3B C25B C24B -179.7(6) . . . . ?
C23B C24B C25B N3B 3.4(12) . . . . ?
C21C N3C C25C C24C -0.3(11) . . . . ?
Cu3 N3C C25C C24C 177.5(6) . . . . ?
C23C C24C C25C N3C 3.7(12) . . . . ?
C21D N3D C25D C24D -4.4(12) . . . . ?
Cu4 N3D C25D C24D -180.0(7) . . . . ?
C23D C24D C25D N3D 6.2(14) . . . . ?
C21E N3E C25E C24E 3.3(11) . . . . ?
Cu5 N3E C25E C24E -177.4(6) . . . . ?
C23E C24E C25E N3E -5.3(12) . . . . ?
C23F C24F C25F N3F 1.1(12) . . . . ?
C21F N3F C25F C24F -0.1(11) . . . . ?
Cu6 N3F C25F C24F 175.0(6) . . . . ?
C30A N4A C26A C27A 1.9(12) . . . . ?
Cu2 N4A C26A C27A -171.0(6) . . . . ?
C30B N4B C26B C27B 1.0(11) . . . . ?
Cu3 N4B C26B C27B -178.4(6) . . . . ?
C30C N4C C26C C27C 1.0(11) . . . . ?
Cu4 N4C C26C C27C -178.6(6) . . . . ?
C30D N4D C26D C27D 3.5(12) . . . . ?
Cu5 N4D C26D C27D -176.0(7) . . . . ?
C30E N4E C26E C27E -2.1(11) . . . . ?
Cu6 N4E C26E C27E -179.1(6) . . . . ?
C30F N4F C26F C27F -1.2(11) . . . . ?
Cu1 N4F C26F C27F 179.9(6) . . . . ?
N4A C26A C27A C28A -3.4(12) . . . . ?
N4A C26A C27A Si2A 178.1(6) . . . . ?
C36A Si2A C27A C26A 160.3(7) . . . . ?
C31A Si2A C27A C26A -75.8(7) . . . . ?
C22A Si2A C27A C26A 40.4(8) . . . . ?
C36A Si2A C27A C28A -17.9(9) . . . . ?
C31A Si2A C27A C28A 105.9(8) . . . . ?
C22A Si2A C27A C28A -137.8(7) . . . . ?
N4B C26B C27B C28B -0.2(12) . . . . ?
N4B C26B C27B Si2B -177.5(6) . . . . ?
C36B Si2B C27B C28B -10.9(9) . . . . ?
C31B Si2B C27B C28B 112.7(8) . . . . ?
C22B Si2B C27B C28B -128.2(7) . . . . ?
C36B Si2B C27B C26B 166.3(6) . . . . ?
C31B Si2B C27B C26B -70.1(7) . . . . ?
C22B Si2B C27B C26B 49.0(7) . . . . ?
N4C C26C C27C C28C 2.6(12) . . . . ?
N4C C26C C27C Si2C -179.1(6) . . . . ?
C31C Si2C C27C C28C 108.0(8) . . . . ?
C36C Si2C C27C C28C -11.7(9) . . . . ?
C22C Si2C C27C C28C -130.5(7) . . . . ?
C31C Si2C C27C C26C -70.2(8) . . . . ?
C36C Si2C C27C C26C 170.1(7) . . . . ?
C22C Si2C C27C C26C 51.4(7) . . . . ?
N4D C26D C27D C28D -2.8(13) . . . . ?
N4D C26D C27D Si2D 174.8(6) . . . . ?
N4E C26E C27E C28E 2.4(12) . . . . ?
N4E C26E C27E Si2E -178.6(6) . . . . ?
N4F C26F C27F C28F 3.0(11) . . . . ?
N4F C26F C27F Si2F -177.3(6) . . . . ?
C26A C27A C28A C29A 3.6(13) . . . . ?
Si2A C27A C28A C29A -178.1(7) . . . . ?
C26B C27B C28B C29B -0.9(13) . . . . ?
Si2B C27B C28B C29B 176.4(7) . . . . ?
C26C C27C C28C C29C -3.4(12) . . . . ?
Si2C C27C C28C C29C 178.4(7) . . . . ?
C26D C27D C28D C29D 2.4(13) . . . . ?
Si2D C27D C28D C29D -174.9(7) . . . . ?
C26E C27E C28E C29E -2.9(13) . . . . ?
Si2E C27E C28E C29E 178.2(7) . . . . ?
C26F C27F C28F C29F -1.3(12) . . . . ?
Si2F C27F C28F C29F 178.9(6) . . . . ?
C27A C28A C29A C30A -2.3(14) . . . . ?
C27B C28B C29B C30B 1.1(15) . . . . ?
C27C C28C C29C C30C 0.8(13) . . . . ?
C27D C28D C29D C30D -3.2(15) . . . . ?
C27E C28E C29E C30E 3.2(14) . . . . ?
C27F C28F C29F C30F -1.8(12) . . . . ?
C26A N4A C30A C29A -0.4(12) . . . . ?
Cu2 N4A C30A C29A 172.4(7) . . . . ?
C28A C29A C30A N4A 0.6(14) . . . . ?
C28B C29B C30B N4B -0.3(15) . . . . ?
C26B N4B C30B C29B -0.7(13) . . . . ?
Cu3 N4B C30B C29B 178.7(8) . . . . ?
C26C N4C C30C C29C -4.0(11) . . . . ?
Cu4 N4C C30C C29C 175.6(6) . . . . ?
C28C C29C C30C N4C 3.2(13) . . . . ?
C26D N4D C30D C29D -4.0(12) . . . . ?
Cu5 N4D C30D C29D 175.5(7) . . . . ?
C28D C29D C30D N4D 4.0(14) . . . . ?
C26E N4E C30E C29E 2.3(12) . . . . ?
Cu6 N4E C30E C29E 179.3(7) . . . . ?
C28E C29E C30E N4E -2.9(14) . . . . ?
C26F N4F C30F C29F -2.2(11) . . . . ?
Cu1 N4F C30F C29F 176.6(6) . . . . ?
C28F C29F C30F N4F 3.7(12) . . . . ?
C36A Si2A C31A C32A 68.1(9) . . . . ?
C22A Si2A C31A C32A -168.1(8) . . . . ?
C27A Si2A C31A C32A -53.4(9) . . . . ?
C36A Si2A C31A C35A -55.3(9) . . . . ?
C22A Si2A C31A C35A 68.5(9) . . . . ?
C27A Si2A C31A C35A -176.8(7) . . . . ?
C36B Si2B C31B C35B 177.5(7) . . . . ?
C27B Si2B C31B C35B 54.3(8) . . . . ?
C22B Si2B C31B C35B -63.3(8) . . . . ?
C36B Si2B C31B C32B 57.8(8) . . . . ?
C27B Si2B C31B C32B -65.3(8) . . . . ?
C22B Si2B C31B C32B 177.0(7) . . . . ?
C36C Si2C C31C C35C 153.5(9) . . . . ?
C27C Si2C C31C C35C 31.2(10) . . . . ?
C22C Si2C C31C C35C -85.2(9) . . . . ?
C36C Si2C C31C C32C 34.8(11) . . . . ?
C27C Si2C C31C C32C -87.4(10) . . . . ?
C22C Si2C C31C C32C 156.1(9) . . . . ?
C36D Si2D C31D C32D 72.4(10) . . . . ?
C22D Si2D C31D C32D -164.4(9) . . . . ?
C27D Si2D C31D C32D -50.8(10) . . . . ?
C36D Si2D C31D C35D -51.8(10) . . . . ?
C22D Si2D C31D C35D 71.4(10) . . . . ?
C27D Si2D C31D C35D -175.1(8) . . . . ?
C22E Si2E C31E C35E -57.4(8) . . . . ?
C36E Si2E C31E C35E -177.1(7) . . . . ?
C27E Si2E C31E C35E 61.4(8) . . . . ?
C22E Si2E C31E C32E -177.2(7) . . . . ?
C36E Si2E C31E C32E 63.2(8) . . . . ?
C27E Si2E C31E C32E -58.3(8) . . . . ?
C22F Si2F C31F C32F 157.0(7) . . . . ?
C36F Si2F C31F C32F 36.1(9) . . . . ?
C27F Si2F C31F C32F -84.0(8) . . . . ?
C22F Si2F C31F C35F -81.2(8) . . . . ?
C36F Si2F C31F C35F 157.9(8) . . . . ?
C27F Si2F C31F C35F 37.8(9) . . . . ?
C35A C31A C32A C33A -21.2(14) . . . . ?
Si2A C31A C32A C33A -151.1(10) . . . . ?
C35B C31B C32B C33B 22.3(12) . . . . ?
Si2B C31B C32B C33B 150.7(10) . . . . ?
C35C C31C C32C C33C 31.1(14) . . . . ?
Si2C C31C C32C C33C 160.2(10) . . . . ?
C35D C31D C32D C33D -19.9(15) . . . . ?
Si2D C31D C32D C33D -150.9(10) . . . . ?
C35E C31E C32E C33E 19.5(11) . . . . ?
Si2E C31E C32E C33E 147.7(9) . . . . ?
C35F C31F C32F C33F 33.9(11) . . . . ?
Si2F C31F C32F C33F 164.5(8) . . . . ?
C31A C32A C33A C34A 36.4(15) . . . . ?
C31B C32B C33B C34B -0.6(16) . . . . ?
C31C C32C C33C C34C -17.0(17) . . . . ?
C31D C32D C33D C34D 23.5(18) . . . . ?
C31E C32E C33E C34E 2.6(14) . . . . ?
C31F C32F C33F C34F -22.4(13) . . . . ?
C32A C33A C34A C35A -38.6(15) . . . . ?
C32B C33B C34B C35B -21.0(15) . . . . ?
C32C C33C C34C C35C -4.9(17) . . . . ?
C32D C33D C34D C35D -17.5(19) . . . . ?
C32E C33E C34E C35E -24.9(14) . . . . ?
C32F C33F C34F C35F 1.3(13) . . . . ?
C33A C34A C35A C31A 26.3(15) . . . . ?
C32A C31A C35A C34A -4.1(14) . . . . ?
Si2A C31A C35A C34A 123.8(11) . . . . ?
C32B C31B C35B C34B -34.8(10) . . . . ?
Si2B C31B C35B C34B -159.0(7) . . . . ?
C33B C34B C35B C31B 34.6(11) . . . . ?
C32C C31C C35C C34C -35.3(13) . . . . ?
Si2C C31C C35C C34C -163.0(9) . . . . ?
C33C C34C C35C C31C 26.4(15) . . . . ?
C33D C34D C35D C31D 4.4(18) . . . . ?
C32D C31D C35D C34D 10.3(15) . . . . ?
Si2D C31D C35D C34D 138.5(10) . . . . ?
C33E C34E C35E C31E 38.4(12) . . . . ?
C32E C31E C35E C34E -35.8(10) . . . . ?
Si2E C31E C35E C34E -160.5(7) . . . . ?
C33F C34F C35F C31F 20.5(12) . . . . ?
C32F C31F C35F C34F -34.5(11) . . . . ?
Si2F C31F C35F C34F -162.4(8) . . . . ?
C31A Si2A C36A C40A -170.9(8) . . . . ?
C22A Si2A C36A C40A 66.1(9) . . . . ?
C27A Si2A C36A C40A -51.6(9) . . . . ?
C31A Si2A C36A C37A 67.6(9) . . . . ?
C22A Si2A C36A C37A -55.5(9) . . . . ?
C27A Si2A C36A C37A -173.1(7) . . . . ?
C27B Si2B C36B C37B 177.5(7) . . . . ?
C31B Si2B C36B C37B 53.7(9) . . . . ?
C22B Si2B C36B C37B -66.0(8) . . . . ?
C27B Si2B C36B C40B -61.7(8) . . . . ?
C31B Si2B C36B C40B 174.4(7) . . . . ?
C22B Si2B C36B C40B 54.7(8) . . . . ?
C31C Si2C C36C C40C 179.5(9) . . . . ?
C27C Si2C C36C C40C -58.3(11) . . . . ?
C22C Si2C C36C C40C 56.7(10) . . . . ?
C31C Si2C C36C C37C 61.0(10) . . . . ?
C27C Si2C C36C C37C -176.7(8) . . . . ?
C22C Si2C C36C C37C -61.8(10) . . . . ?
C31D Si2D C36D C37D -42.8(14) . . . . ?
C22D Si2D C36D C37D -166.4(12) . . . . ?
C27D Si2D C36D C37D 79.8(14) . . . . ?
C31D Si2D C36D C40D 78.5(13) . . . . ?
C22D Si2D C36D C40D -45.2(14) . . . . ?
C27D Si2D C36D C40D -158.9(12) . . . . ?
C31E Si2E C36E C40E 177.1(7) . . . . ?
C22E Si2E C36E C40E 54.9(8) . . . . ?
C27E Si2E C36E C40E -60.7(8) . . . . ?
C31E Si2E C36E C37E 59.0(7) . . . . ?
C22E Si2E C36E C37E -63.2(7) . . . . ?
C27E Si2E C36E C37E -178.8(6) . . . . ?
C31F Si2F C36F C40F 178.4(8) . . . . ?
C22F Si2F C36F C40F 53.7(9) . . . . ?
C27F Si2F C36F C40F -60.9(9) . . . . ?
C31F Si2F C36F C37F 62.6(9) . . . . ?
C22F Si2F C36F C37F -62.1(9) . . . . ?
C27F Si2F C36F C37F -176.7(8) . . . . ?
C40A C36A C37A C38A 23.6(12) . . . . ?
Si2A C36A C37A C38A 153.1(9) . . . . ?
C40B C36B C37B C38B 29.3(11) . . . . ?
Si2B C36B C37B C38B 156.8(8) . . . . ?
C40C C36C C37C C38C 26.3(14) . . . . ?
Si2C C36C C37C C38C 152.4(10) . . . . ?
C40D C36D C37D C38D 39.2(18) . . . . ?
Si2D C36D C37D C38D 166.0(13) . . . . ?
C40E C36E C37E C38E 4.6(11) . . . . ?
Si2E C36E C37E C38E 130.7(9) . . . . ?
C40F C36F C37F C38F 2.7(15) . . . . ?
Si2F C36F C37F C38F 125.1(12) . . . . ?
C36A C37A C38A C39A -26.6(16) . . . . ?
C36B C37B C38B C39B -31.4(14) . . . . ?
C36C C37C C38C C39C -7.5(19) . . . . ?
C36D C37D C38D C39D -18(2) . . . . ?
C36E C37E C38E C39E 13.6(14) . . . . ?
C36F C37F C38F C39F -9(2) . . . . ?
C37A C38A C39A C40A 20(2) . . . . ?
C37B C38B C39B C40B 20.8(15) . . . . ?
C37C C38C C39C C40C -13.1(19) . . . . ?
C37D C38D C39D C40D -11(3) . . . . ?
C37E C38E C39E C40E -29.0(16) . . . . ?
C37F C38F C39F C40F 12(2) . . . . ?
C38A C39A C40A C36A -3(2) . . . . ?
C37A C36A C40A C39A -13.9(15) . . . . ?
Si2A C36A C40A C39A -139.9(11) . . . . ?
C38B C39B C40B C36B -2.8(15) . . . . ?
C37B C36B C40B C39B -15.9(12) . . . . ?
Si2B C36B C40B C39B -143.5(9) . . . . ?
C37C C36C C40C C39C -34.1(14) . . . . ?
Si2C C36C C40C C39C -158.0(10) . . . . ?
C38C C39C C40C C36C 30.4(17) . . . . ?
C38D C39D C40D C36D 34(2) . . . . ?
C37D C36D C40D C39D -44.9(17) . . . . ?
Si2D C36D C40D C39D -176.3(13) . . . . ?
C38E C39E C40E C36E 31.0(14) . . . . ?
C37E C36E C40E C39E -21.4(11) . . . . ?
Si2E C36E C40E C39E -143.6(8) . . . . ?
C38F C39F C40F C36F -9.1(18) . . . . ?
C37F C36F C40F C39F 3.9(13) . . . . ?
Si2F C36F C40F C39F -116.7(11) . . . . ?
C12A C11A Si1A C7A 59.2(8) . . . . ?
C15A C11A Si1A C7A 178.9(7) . . . . ?
C12A C11A Si1A C16A -63.7(8) . . . . ?
C15A C11A Si1A C16A 56.0(8) . . . . ?
C12A C11A Si1A C2A 175.1(7) . . . . ?
C15A C11A Si1A C2A -65.2(8) . . . . ?
C6A C7A Si1A C11A -6.2(8) . . . . ?
C8A C7A Si1A C11A 171.9(7) . . . . ?
C6A C7A Si1A C16A 119.0(7) . . . . ?
C8A C7A Si1A C16A -63.0(8) . . . . ?
C6A C7A Si1A C2A -122.9(7) . . . . ?
C8A C7A Si1A C2A 55.1(8) . . . . ?
C17A C16A Si1A C11A 176.7(9) . . . . ?
C20A C16A Si1A C11A 52.5(12) . . . . ?
C17A C16A Si1A C7A 52.2(10) . . . . ?
C20A C16A Si1A C7A -72.0(11) . . . . ?
C17A C16A Si1A C2A -63.4(10) . . . . ?
C20A C16A Si1A C2A 172.4(10) . . . . ?
C1A C2A Si1A C11A -69.7(8) . . . . ?
C3A C2A Si1A C11A 110.1(8) . . . . ?
C1A C2A Si1A C7A 49.8(7) . . . . ?
C3A C2A Si1A C7A -130.3(7) . . . . ?
C1A C2A Si1A C16A 167.2(7) . . . . ?
C3A C2A Si1A C16A -12.9(9) . . . . ?
C15B C11B Si1B C2B -64.1(8) . . . . ?
C12B C11B Si1B C2B 59.2(7) . . . . ?
C15B C11B Si1B C16B 60.5(8) . . . . ?
C12B C11B Si1B C16B -176.2(6) . . . . ?
C15B C11B Si1B C7B -179.4(7) . . . . ?
C12B C11B Si1B C7B -56.1(7) . . . . ?
C1B C2B Si1B C11B -60.1(8) . . . . ?
C3B C2B Si1B C11B 121.9(7) . . . . ?
C1B C2B Si1B C16B 175.4(7) . . . . ?
C3B C2B Si1B C16B -2.5(8) . . . . ?
C1B C2B Si1B C7B 59.4(8) . . . . ?
C3B C2B Si1B C7B -118.6(7) . . . . ?
C17B C16B Si1B C11B 167.0(6) . . . . ?
C20B C16B Si1B C11B 46.0(8) . . . . ?
C17B C16B Si1B C2B -66.9(8) . . . . ?
C20B C16B Si1B C2B 172.1(7) . . . . ?
C17B C16B Si1B C7B 45.8(7) . . . . ?
C20B C16B Si1B C7B -75.2(8) . . . . ?
C12C C11C Si1C C16C -48.4(9) . . . . ?
C15C C11C Si1C C16C 70.7(7) . . . . ?
C12C C11C Si1C C7C 74.2(9) . . . . ?
C15C C11C Si1C C7C -166.8(6) . . . . ?
C12C C11C Si1C C2C -171.8(8) . . . . ?
C15C C11C Si1C C2C -52.8(7) . . . . ?
C17C C16C Si1C C11C -175.2(7) . . . . ?
C20C C16C Si1C C11C 65.3(7) . . . . ?
C17C C16C Si1C C7C 59.6(8) . . . . ?
C20C C16C Si1C C7C -59.8(7) . . . . ?
C17C C16C Si1C C2C -54.7(8) . . . . ?
C20C C16C Si1C C2C -174.2(6) . . . . ?
C6C C7C Si1C C11C -21.3(7) . . . . ?
C8C C7C Si1C C11C 159.9(6) . . . . ?
C6C C7C Si1C C16C 103.8(7) . . . . ?
C8C C7C Si1C C16C -74.9(7) . . . . ?
C6C C7C Si1C C2C -136.9(6) . . . . ?
C8C C7C Si1C C2C 44.4(7) . . . . ?
C1C C2C Si1C C11C -66.1(7) . . . . ?
C3C C2C Si1C C11C 114.1(8) . . . . ?
C1C C2C Si1C C16C 170.0(6) . . . . ?
C3C C2C Si1C C16C -9.7(9) . . . . ?
C1C C2C Si1C C7C 53.4(6) . . . . ?
C3C C2C Si1C C7C -126.3(8) . . . . ?
C3D C2D Si1D C7D -134.7(8) . . . . ?
C1D C2D Si1D C7D 45.9(8) . . . . ?
C3D C2D Si1D C16D -16.9(10) . . . . ?
C1D C2D Si1D C16D 163.7(7) . . . . ?
C3D C2D Si1D C11D 105.7(8) . . . . ?
C1D C2D Si1D C11D -73.7(8) . . . . ?
C6D C7D Si1D C2D -125.4(7) . . . . ?
C8D C7D Si1D C2D 60.7(8) . . . . ?
C6D C7D Si1D C16D 116.7(7) . . . . ?
C8D C7D Si1D C16D -57.1(8) . . . . ?
C6D C7D Si1D C11D -8.7(8) . . . . ?
C8D C7D Si1D C11D 177.5(7) . . . . ?
C20D C16D Si1D C2D -175.7(9) . . . . ?
C17D C16D Si1D C2D -56.5(9) . . . . ?
C20D C16D Si1D C7D -60.0(10) . . . . ?
C17D C16D Si1D C7D 59.2(9) . . . . ?
C20D C16D Si1D C11D 64.8(10) . . . . ?
C17D C16D Si1D C11D -175.9(8) . . . . ?
C15D C11D Si1D C2D -62.6(8) . . . . ?
C12D C11D Si1D C2D 175.1(7) . . . . ?
C15D C11D Si1D C7D -178.6(7) . . . . ?
C12D C11D Si1D C7D 59.1(8) . . . . ?
C15D C11D Si1D C16D 57.9(8) . . . . ?
C12D C11D Si1D C16D -64.4(8) . . . . ?
C12E C11E Si1E C7E -57.6(7) . . . . ?
C15E C11E Si1E C7E -178.4(7) . . . . ?
C12E C11E Si1E C16E -177.3(7) . . . . ?
C15E C11E Si1E C16E 62.0(8) . . . . ?
C12E C11E Si1E C2E 59.8(7) . . . . ?
C15E C11E Si1E C2E -61.0(8) . . . . ?
C6E C7E Si1E C11E -28.9(7) . . . . ?
C8E C7E Si1E C11E 158.7(7) . . . . ?
C6E C7E Si1E C16E 94.5(7) . . . . ?
C8E C7E Si1E C16E -77.9(7) . . . . ?
C6E C7E Si1E C2E -149.9(6) . . . . ?
C8E C7E Si1E C2E 37.8(8) . . . . ?
C17E C16E Si1E C11E 171.6(8) . . . . ?
C20E C16E Si1E C11E 51.1(9) . . . . ?
C17E C16E Si1E C7E 49.6(9) . . . . ?
C20E C16E Si1E C7E -70.9(9) . . . . ?
C17E C16E Si1E C2E -63.9(9) . . . . ?
C20E C16E Si1E C2E 175.6(7) . . . . ?
C3F C2F Si1F C11F 115.1(8) . . . . ?
C1F C2F Si1F C11F -61.9(7) . . . . ?
C3F C2F Si1F C16F -9.9(9) . . . . ?
C1F C2F Si1F C16F 173.1(6) . . . . ?
C3F C2F Si1F C7F -127.5(8) . . . . ?
C1F C2F Si1F C7F 55.5(7) . . . . ?
C12F C11F Si1F C2F -170.5(8) . . . . ?
C15F C11F Si1F C2F -51.1(7) . . . . ?
C12F C11F Si1F C16F -45.7(9) . . . . ?
C15F C11F Si1F C16F 73.8(7) . . . . ?
C12F C11F Si1F C7F 77.2(8) . . . . ?
C15F C11F Si1F C7F -163.3(6) . . . . ?
C20F C16F Si1F C2F -173.9(7) . . . . ?
C17F C16F Si1F C2F -53.0(8) . . . . ?
C20F C16F Si1F C11F 64.9(8) . . . . ?
C17F C16F Si1F C11F -174.2(6) . . . . ?
C20F C16F Si1F C7F -59.3(8) . . . . ?
C17F C16F Si1F C7F 61.6(7) . . . . ?
C4A C5A N1A C1A -2.2(12) . . . . ?
C4A C5A N1A Cu1 -178.5(6) . . . . ?
C4B C5B N1B C1B -1.5(11) . . . . ?
C4B C5B N1B Cu2 178.5(6) . . . . ?
C4C C5C N1C C1C -1.8(12) . . . . ?
C4C C5C N1C Cu3 177.3(7) . . . . ?
C4D C5D N1D C1D 0.4(13) . . . . ?
C4D C5D N1D Cu4 -176.2(7) . . . . ?
C4E C5E N1E C1E 0.3(12) . . . . ?
C4E C5E N1E Cu5 179.9(6) . . . . ?
C4F C5F N1F C1F -0.9(12) . . . . ?
C4F C5F N1F Cu6 176.5(7) . . . . ?
C3A C2A C1A N1A 0.0(12) . . . . ?
Si1A C2A C1A N1A 179.8(6) . . . . ?
C5A N1A C1A C2A 1.5(11) . . . . ?
Cu1 N1A C1A C2A 177.6(6) . . . . ?
C5B N1B C1B C2B 0.3(12) . . . . ?
Cu2 N1B C1B C2B -179.7(6) . . . . ?
C3B C2B C1B N1B 1.4(12) . . . . ?
Si1B C2B C1B N1B -176.7(6) . . . . ?
C5C N1C C1C C2C 2.0(11) . . . . ?
Cu3 N1C C1C C2C -177.1(5) . . . . ?
C3C C2C C1C N1C -1.3(11) . . . . ?
Si1C C2C C1C N1C 179.0(6) . . . . ?
C5D N1D C1D C2D 0.2(12) . . . . ?
Cu4 N1D C1D C2D 176.8(6) . . . . ?
C3D C2D C1D N1D 1.5(13) . . . . ?
Si1D C2D C1D N1D -179.1(6) . . . . ?
C5E N1E C1E C2E -1.1(12) . . . . ?
Cu5 N1E C1E C2E 179.4(6) . . . . ?
C3E C2E C1E N1E 1.5(12) . . . . ?
Si1E C2E C1E N1E -176.3(6) . . . . ?
C5F N1F C1F C2F 0.7(11) . . . . ?
Cu6 N1F C1F C2F -176.7(6) . . . . ?
C3F C2F C1F N1F 0.7(11) . . . . ?
Si1F C2F C1F N1F 178.1(6) . . . . ?
