#------------------------------------------------------------------------------
#$Date: 2017-11-07 03:04:57 +0200 (Tue, 07 Nov 2017) $
#$Revision: 202765 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/75/1547591.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_1547591
loop_
_publ_author_name
'You, Zhensheng'
'Li, Heng'
'Zhang, Lijun'
'Yu, Bing'
'Zhang, Jin'
'Wu, Xiaoming'
_publ_section_title
;
 A Host Material for Deep-Blue Electrophosphorescence Based on a Cuprous
 Metal--Organic Framework
;
_journal_issue                   41
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              23072
_journal_paper_doi               10.1021/acs.jpcc.7b07627
_journal_volume                  121
_journal_year                    2017
_chemical_formula_moiety         'C78 H64 Cl2 Cu2 P4'
_chemical_formula_sum            'C78 H64 Cl2 Cu2 P4'
_chemical_formula_weight         1323.15
_chemical_melting_point          514.65
_chemical_name_common            Cu-P6
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-05-31 # Formatted by publCIF

;
_cell_angle_alpha                90.570(8)
_cell_angle_beta                 100.738(11)
_cell_angle_gamma                116.476(14)
_cell_formula_units_Z            4
_cell_length_a                   19.295(3)
_cell_length_b                   20.238(2)
_cell_length_c                   21.0495(19)
_cell_measurement_reflns_used    1897
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.189
_cell_measurement_theta_min      1.278
_cell_volume                     7188.2(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1120
_diffrn_reflns_av_unetI/netI     0.2773
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            34857
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         1.716
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.795
_exptl_absorpt_correction_T_max  0.887
_exptl_absorpt_correction_T_min  0.817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2736
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_transmission_factor_max   26.40
_exptl_transmission_factor_min   2.10
_refine_diff_density_max         2.789
_refine_diff_density_min         -0.774
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1557
_refine_ls_number_reflns         25669
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.2529
_refine_ls_R_factor_gt           0.1200
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0920P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2434
_refine_ls_wR_factor_ref         0.3221
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10518
_reflns_number_total             25669
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jp7b07627_si_001.cif
_cod_data_source_block           Cu-P6
_cod_depositor_comments          'Adding full bibliography for 1547591.cif.'
_cod_original_cell_volume        7188.2(17)
_cod_database_code               1547591
_publcif_datablock.id            {1c186a6b-23f9-466b-9ea8-5297dfc8b297}
_shelx_shelxl_version_number     2014/7
_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   0.851
_shelx_estimated_absorpt_t_max   0.890
_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n
_publcif_funding_html
;
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 0.73199(5) 0.82064(5) 0.11746(4) 0.0409(3) Uani 1 1 d . .
Cu2 Cu 0.26716(5) 1.12085(4) 0.02978(5) 0.0411(3) Uani 1 1 d . .
Cu3 Cu 0.73120(5) 0.37665(4) 0.61710(4) 0.0382(2) Uani 1 1 d . .
Cu4 Cu 0.27425(5) -0.31548(4) 0.53449(4) 0.0393(2) Uani 1 1 d . .
Cl1 Cl 0.83877(10) 0.89762(11) 0.06503(10) 0.0525(6) Uani 1 1 d . .
Cl2 Cl 0.63164(10) 0.80629(11) 0.02595(9) 0.0511(6) Uani 1 1 d . .
Cl3 Cl 0.83228(9) 0.38725(10) 0.56011(9) 0.0439(5) Uani 1 1 d . .
Cl4 Cl 0.37221(10) -0.30561(10) 0.47536(9) 0.0451(5) Uani 1 1 d . .
P1A P 0.71630(10) 0.87042(10) 0.20882(9) 0.0368(5) Uani 1 1 d . .
P1B P 0.28024(10) 0.18670(9) 0.12456(9) 0.0363(5) Uani 1 1 d . .
P1C P 0.28194(10) 0.62996(9) 0.62940(9) 0.0325(5) Uani 1 1 d . .
P1D P 0.72421(10) 0.31631(9) 0.70902(9) 0.0347(5) Uani 1 1 d . .
P2A P 0.24940(10) 1.00245(9) 0.03728(9) 0.0356(5) Uani 1 1 d . .
P2B P 0.74939(10) 0.71636(10) 0.12580(10) 0.0397(5) Uani 1 1 d . .
P2C P 0.75079(10) 0.49667(10) 0.62880(10) 0.0393(5) Uani 1 1 d . .
P2D P 0.25406(10) -0.21291(9) 0.54132(9) 0.0360(5) Uani 1 1 d . .
C1A C 0.6767(4) 0.8050(4) 0.2682(4) 0.051(2) Uani 1 1 d . .
C1B C 0.3188(4) 0.1576(4) 0.2006(4) 0.044(2) Uani 1 1 d . .
C1C C 0.3128(4) 0.6898(4) 0.7059(3) 0.042(2) Uani 1 1 d . .
C1D C 0.8161(4) 0.3166(4) 0.7506(4) 0.043(2) Uani 1 1 d . .
C2A C 0.7245(5) 0.7783(4) 0.3048(4) 0.059(2) Uani 1 1 d . .
H2A H 0.7759 0.7942 0.2991 0.070 Uiso 1 1 calc R U
C2B C 0.3924(4) 0.1958(4) 0.2353(4) 0.056(2) Uani 1 1 d . .
H2B H 0.4271 0.2397 0.2217 0.067 Uiso 1 1 calc R U
C2C C 0.3880(5) 0.7157(4) 0.7446(4) 0.054(3) Uani 1 1 d . .
H2C H 0.4238 0.7008 0.7336 0.065 Uiso 1 1 calc R U
C2D C 0.8662(4) 0.3126(4) 0.7150(4) 0.064(3) Uani 1 1 d . .
H2D H 0.8531 0.3114 0.6700 0.077 Uiso 1 1 calc R U
C3A C 0.6976(6) 0.7296(5) 0.3487(5) 0.085(2) Uani 1 1 d . U
H3A H 0.7302 0.7126 0.3737 0.102 Uiso 1 1 calc R U
C3B C 0.4184(5) 0.1699(5) 0.2934(5) 0.077(3) Uani 1 1 d . .
H3B H 0.4689 0.1972 0.3191 0.093 Uiso 1 1 calc R U
C3C C 0.4095(5) 0.7638(4) 0.7997(5) 0.071(3) Uani 1 1 d . .
H3C H 0.4599 0.7807 0.8256 0.085 Uiso 1 1 calc R U
C3D C 0.9350(5) 0.3102(5) 0.7423(6) 0.091(4) Uani 1 1 d . .
H3D H 0.9663 0.3045 0.7162 0.109 Uiso 1 1 calc R U
C4A C 0.6186(6) 0.7053(5) 0.3553(4) 0.075(3) Uani 1 1 d . .
H4A H 0.5991 0.6706 0.3843 0.090 Uiso 1 1 calc R U
C4B C 0.3646(5) 0.1015(5) 0.3105(5) 0.068(2) Uani 1 1 d . U
H4B H 0.3782 0.0853 0.3498 0.082 Uiso 1 1 calc R U
C4C C 0.3595(6) 0.7874(4) 0.8172(4) 0.077(3) Uani 1 1 d . .
H4C H 0.3759 0.8211 0.8538 0.092 Uiso 1 1 calc R U
C4D C 0.9584(5) 0.3165(6) 0.8115(7) 0.108(5) Uani 1 1 d . .
H4D H 1.0059 0.3169 0.8313 0.129 Uiso 1 1 calc R U
C5A C 0.5692(5) 0.7307(5) 0.3206(4) 0.070(3) Uani 1 1 d . .
H5A H 0.5183 0.7163 0.3271 0.084 Uiso 1 1 calc R U
C5B C 0.2857(4) 0.0545(4) 0.2660(4) 0.0584(17) Uani 1 1 d . U
H5B H 0.2544 0.0048 0.2704 0.070 Uiso 1 1 calc R U
C5C C 0.2845(5) 0.7609(5) 0.7803(4) 0.075(3) Uani 1 1 d . .
H5C H 0.2494 0.7757 0.7930 0.090 Uiso 1 1 calc R U
C5D C 0.9087(5) 0.3219(6) 0.8481(6) 0.107(4) Uani 1 1 d . .
H5D H 0.9230 0.3265 0.8932 0.129 Uiso 1 1 calc R U
C6A C 0.5995(4) 0.7787(4) 0.2758(4) 0.057(3) Uani 1 1 d . .
H6A H 0.5664 0.7943 0.2494 0.068 Uiso 1 1 calc R U
C6B C 0.2650(5) 0.0898(4) 0.2206(4) 0.059(3) Uani 1 1 d . U
H6B H 0.2118 0.0694 0.1999 0.070 Uiso 1 1 calc R U
C6C C 0.2595(4) 0.7124(4) 0.7242(4) 0.055(2) Uani 1 1 d . .
H6C H 0.2084 0.6953 0.6992 0.066 Uiso 1 1 calc R U
C6D C 0.8392(5) 0.3205(5) 0.8190(5) 0.074(3) Uani 1 1 d . .
H6D H 0.8056 0.3222 0.8447 0.089 Uiso 1 1 calc R U
C7A C 0.8082(4) 0.9423(4) 0.2599(4) 0.046(2) Uani 1 1 d . .
C7B C 0.1773(5) 0.1934(4) 0.2001(4) 0.061(3) Uani 1 1 d . .
H7B H 0.2196 0.2075 0.2355 0.073 Uiso 1 1 calc R U
C7C C 0.1884(4) 0.5557(4) 0.6382(4) 0.043(2) Uani 1 1 d . .
C7D C 0.6948(4) 0.3522(3) 0.7746(3) 0.040(2) Uani 1 1 d . .
C8A C 0.8140(6) 0.9610(5) 0.3250(5) 0.080(4) Uani 1 1 d . .
H8A H 0.7694 0.9365 0.3426 0.096 Uiso 1 1 calc R U
C8B C 0.1027(5) 0.1860(5) 0.2077(5) 0.084(3) Uani 1 1 d . .
H8B H 0.0977 0.1997 0.2482 0.101 Uiso 1 1 calc R U
C8C C 0.1673(4) 0.5363(4) 0.6972(4) 0.060(3) Uani 1 1 d . .
H8C H 0.2048 0.5606 0.7353 0.072 Uiso 1 1 calc R U
C8D C 0.7523(5) 0.4234(4) 0.8078(4) 0.059(3) Uani 1 1 d . .
H8D H 0.8019 0.4487 0.7978 0.071 Uiso 1 1 calc R U
C9A C 0.8819(6) 1.0137(6) 0.3647(6) 0.112(5) Uani 1 1 d . .
H9A H 0.8829 1.0250 0.4079 0.134 Uiso 1 1 calc R U
C9B C 0.0394(5) 0.1599(6) 0.1584(6) 0.097(4) Uani 1 1 d . .
H9B H -0.0110 0.1470 0.1655 0.116 Uiso 1 1 calc R U
C9C C 0.0943(4) 0.4832(5) 0.7022(5) 0.077(3) Uani 1 1 d . .
H9C H 0.0830 0.4707 0.7427 0.093 Uiso 1 1 calc R U
C9D C 0.7299(6) 0.4527(5) 0.8559(4) 0.081(3) Uani 1 1 d . .
H9D H 0.7652 0.4987 0.8787 0.097 Uiso 1 1 calc R U
C10A C 0.9472(8) 1.0489(6) 0.3401(7) 0.137(6) Uani 1 1 d . .
H10A H 0.9935 1.0863 0.3652 0.164 Uiso 1 1 calc R U
C10B C 0.0513(5) 0.1530(6) 0.0971(6) 0.087(4) Uani 1 1 d . .
H10B H 0.0109 0.1448 0.0613 0.104 Uiso 1 1 calc R U
C10C C 0.0385(5) 0.4492(5) 0.6476(5) 0.098(4) Uani 1 1 d . .
H10C H -0.0119 0.4140 0.6506 0.117 Uiso 1 1 calc R U
C10D C 0.6517(5) 0.4122(5) 0.8709(5) 0.078(3) Uani 1 1 d . .
H10D H 0.6373 0.4328 0.9026 0.093 Uiso 1 1 calc R U
C11A C 0.9434(6) 1.0269(6) 0.2733(7) 0.114(5) Uani 1 1 d . .
H11A H 0.9891 1.0478 0.2567 0.137 Uiso 1 1 calc R U
C11B C 0.1233(5) 0.1581(5) 0.0872(5) 0.075(3) Uani 1 1 d . .
H11B H 0.1282 0.1470 0.0458 0.090 Uiso 1 1 calc R U
C11C C 0.0558(5) 0.4662(6) 0.5875(6) 0.119(5) Uani 1 1 d . .
H11C H 0.0171 0.4422 0.5500 0.142 Uiso 1 1 calc R U
C11D C 0.6017(5) 0.3466(5) 0.8398(5) 0.083(3) Uani 1 1 d . .
H11D H 0.5521 0.3210 0.8500 0.099 Uiso 1 1 calc R U
C12A C 0.8725(4) 0.9750(4) 0.2332(5) 0.067(3) Uani 1 1 d . .
H12A H 0.8696 0.9634 0.1896 0.080 Uiso 1 1 calc R U
C12B C 0.1848(4) 0.1788(4) 0.1375(4) 0.049(2) Uani 1 1 d . .
C12C C 0.1327(4) 0.5204(5) 0.5824(4) 0.070(3) Uani 1 1 d . .
H12C H 0.1448 0.5316 0.5419 0.084 Uiso 1 1 calc R U
C12D C 0.6218(4) 0.3147(4) 0.7918(4) 0.047(2) Uani 1 1 d . .
H12D H 0.5859 0.2678 0.7710 0.057 Uiso 1 1 calc R U
C13A C 0.6474(4) 0.9121(3) 0.1920(4) 0.037(2) Uani 1 1 d . .
C13B C 0.3484(3) 0.2855(3) 0.1334(3) 0.0336(19) Uani 1 1 d . .
C13C C 0.3551(4) 0.5921(3) 0.6435(3) 0.034(2) Uani 1 1 d . .
C13D C 0.6534(3) 0.2178(3) 0.6983(3) 0.0322(19) Uani 1 1 d . .
C14A C 0.6576(4) 0.9758(4) 0.2292(4) 0.051(2) Uani 1 1 d . .
H14A H 0.6996 0.9980 0.2649 0.061 Uiso 1 1 calc R U
C14B C 0.3401(4) 0.3406(4) 0.1652(3) 0.045(2) Uani 1 1 d . .
H14B H 0.2969 0.3265 0.1848 0.054 Uiso 1 1 calc R U
C14C C 0.3458(4) 0.5356(4) 0.6816(4) 0.049(2) Uani 1 1 d . .
H14C H 0.3031 0.5162 0.7019 0.059 Uiso 1 1 calc R U
C14D C 0.6611(4) 0.1659(4) 0.7361(3) 0.045(2) Uani 1 1 d . .
H14D H 0.7044 0.1809 0.7708 0.054 Uiso 1 1 calc R U
C15A C 0.6054(4) 1.0047(4) 0.2125(4) 0.049(2) Uani 1 1 d . .
H15A H 0.6140 1.0478 0.2360 0.059 Uiso 1 1 calc R U
C15B C 0.3908(4) 0.4139(4) 0.1699(4) 0.045(2) Uani 1 1 d . .
H15B H 0.3811 0.4490 0.1902 0.054 Uiso 1 1 calc R U
C15C C 0.4000(4) 0.5069(4) 0.6900(4) 0.052(2) Uani 1 1 d . .
H15C H 0.3926 0.4677 0.7151 0.063 Uiso 1 1 calc R U
C15D C 0.6065(4) 0.0923(4) 0.7241(4) 0.049(2) Uani 1 1 d . .
H15D H 0.6126 0.0583 0.7512 0.059 Uiso 1 1 calc R U
C16A C 0.5419(4) 0.9723(4) 0.1628(4) 0.040(2) Uani 1 1 d . .
C16B C 0.4570(4) 0.4350(3) 0.1439(3) 0.039(2) Uani 1 1 d . .
C16C C 0.4660(4) 0.5369(4) 0.6607(3) 0.0398(19) Uani 1 1 d . .
C16D C 0.5430(4) 0.0685(4) 0.6723(3) 0.037(2) Uani 1 1 d . .
C17A C 0.5286(4) 0.9058(4) 0.1278(3) 0.039(2) Uani 1 1 d . .
C17B C 0.4712(4) 0.3831(4) 0.1130(3) 0.038(2) Uani 1 1 d . .
C17C C 0.4730(4) 0.5951(4) 0.6231(3) 0.041(2) Uani 1 1 d . .
C17D C 0.5311(4) 0.1205(3) 0.6331(3) 0.036(2) Uani 1 1 d . .
C18A C 0.5820(4) 0.8774(4) 0.1433(4) 0.042(2) Uani 1 1 d . .
H18A H 0.5732 0.8340 0.1201 0.051 Uiso 1 1 calc R U
C18B C 0.4176(4) 0.3081(4) 0.1101(4) 0.046(2) Uani 1 1 d . .
H18B H 0.4283 0.2724 0.0922 0.055 Uiso 1 1 calc R U
C18C C 0.4200(4) 0.6226(4) 0.6145(3) 0.037(2) Uani 1 1 d . .
H18C H 0.4271 0.6617 0.5893 0.044 Uiso 1 1 calc R U
C18D C 0.5864(4) 0.1927(4) 0.6470(3) 0.039(2) Uani 1 1 d . .
H18D H 0.5797 0.2273 0.6213 0.046 Uiso 1 1 calc R U
C19A C 0.4556(4) 0.8792(4) 0.0731(4) 0.046(2) Uani 1 1 d . .
C19B C 0.5471(4) 0.4184(4) 0.0888(4) 0.044(2) Uani 1 1 d . .
C19C C 0.5480(4) 0.6190(4) 0.5932(4) 0.045(2) Uani 1 1 d . .
C19D C 0.4585(4) 0.0829(4) 0.5797(4) 0.041(2) Uani 1 1 d . .
C20A C 0.3929(4) 0.8013(4) 0.0772(5) 0.068(3) Uani 1 1 d . .
H20A H 0.4112 0.7662 0.0672 0.101 Uiso 1 1 calc R U
H20B H 0.3449 0.7913 0.0466 0.101 Uiso 1 1 calc R U
H20C H 0.3830 0.7972 0.1204 0.101 Uiso 1 1 calc R U
C20B C 0.5265(5) 0.4053(6) 0.0108(4) 0.088(4) Uani 1 1 d . .
H20D H 0.5033 0.3531 -0.0028 0.133 Uiso 1 1 calc R U
H20E H 0.5742 0.4309 -0.0052 0.133 Uiso 1 1 calc R U
H20F H 0.4898 0.4240 -0.0062 0.133 Uiso 1 1 calc R U
C20C C 0.5210(5) 0.6042(5) 0.5175(4) 0.085(3) Uani 1 1 d . .
H20G H 0.5641 0.6073 0.4991 0.128 Uiso 1 1 calc R U
H20H H 0.5050 0.6405 0.5013 0.128 Uiso 1 1 calc R U
H20I H 0.4772 0.5555 0.5057 0.128 Uiso 1 1 calc R U
C20D C 0.3953(4) 0.1119(4) 0.5847(5) 0.082(4) Uani 1 1 d . .
H20J H 0.3473 0.0830 0.5531 0.123 Uiso 1 1 calc R U
H20K H 0.4162 0.1631 0.5765 0.123 Uiso 1 1 calc R U
H20L H 0.3842 0.1073 0.6275 0.123 Uiso 1 1 calc R U
C21A C 0.4781(5) 0.8888(5) 0.0061(4) 0.067(3) Uani 1 1 d . U
H21A H 0.5252 0.9348 0.0086 0.101 Uiso 1 1 calc R U
H21B H 0.4356 0.8893 -0.0255 0.101 Uiso 1 1 calc R U
H21C H 0.4876 0.8483 -0.0064 0.101 Uiso 1 1 calc R U
C21B C 0.6064(4) 0.3916(4) 0.1159(5) 0.062(3) Uani 1 1 d . .
H21D H 0.6252 0.4072 0.1617 0.092 Uiso 1 1 calc R U
H21E H 0.6502 0.4120 0.0945 0.092 Uiso 1 1 calc R U
H21F H 0.5819 0.3384 0.1089 0.092 Uiso 1 1 calc R U
C21C C 0.6079(5) 0.7014(4) 0.6165(6) 0.094(4) Uani 1 1 d . .
H21G H 0.6141 0.7103 0.6625 0.141 Uiso 1 1 calc R U
H21H H 0.5884 0.7331 0.5946 0.141 Uiso 1 1 calc R U
H21I H 0.6582 0.7117 0.6067 0.141 Uiso 1 1 calc R U
C21D C 0.4796(5) 0.0929(4) 0.5123(4) 0.073(3) Uani 1 1 d . .
H21J H 0.5172 0.0745 0.5097 0.110 Uiso 1 1 calc R U
H21K H 0.5023 0.1446 0.5059 0.110 Uiso 1 1 calc R U
H21L H 0.4326 0.0657 0.4793 0.110 Uiso 1 1 calc R U
C22A C 0.4228(4) 0.9357(3) 0.0854(3) 0.0351(18) Uani 1 1 d . .
C22B C 0.5210(4) 0.5082(4) 0.1421(3) 0.041(2) Uani 1 1 d . .
C22C C 0.5800(4) 0.5681(4) 0.6203(3) 0.042(2) Uani 1 1 d . .
C22D C 0.4770(4) -0.0048(3) 0.6463(3) 0.036(2) Uani 1 1 d . .
C23A C 0.4781(4) 0.9891(4) 0.1383(4) 0.039(2) Uani 1 1 d . .
C23B C 0.5349(4) 0.5793(4) 0.1624(4) 0.045(2) Uani 1 1 d . .
H23B H 0.4984 0.5864 0.1812 0.054 Uiso 1 1 calc R U
C23C C 0.5292(4) 0.5179(4) 0.6575(3) 0.0359(19) Uani 1 1 d . .
C23D C 0.4261(4) 0.0031(3) 0.5951(3) 0.0366(19) Uani 1 1 d . .
C24A C 0.4621(4) 1.0464(4) 0.1565(4) 0.044(2) Uani 1 1 d . .
H24A H 0.4958 1.0819 0.1911 0.053 Uiso 1 1 calc R U
C24B C 0.6010(4) 0.6376(4) 0.1546(4) 0.049(2) Uani 1 1 d . .
H24B H 0.6088 0.6848 0.1678 0.058 Uiso 1 1 calc R U
C24C C 0.5472(4) 0.4652(4) 0.6845(4) 0.049(2) Uani 1 1 d . .
H24C H 0.5143 0.4321 0.7089 0.059 Uiso 1 1 calc R U
C24D C 0.3563(4) -0.0577(3) 0.5621(3) 0.037(2) Uani 1 1 d . .
H24D H 0.3215 -0.0519 0.5283 0.045 Uiso 1 1 calc R U
C25A C 0.3940(4) 1.0497(4) 0.1217(4) 0.042(2) Uani 1 1 d . .
H25A H 0.3856 1.0901 0.1316 0.050 Uiso 1 1 calc R U
C25B C 0.6605(4) 0.6311(4) 0.1271(4) 0.042(2) Uani 1 1 d . .
C25C C 0.6146(4) 0.4606(4) 0.6759(4) 0.046(2) Uani 1 1 d . .
H25C H 0.6262 0.4240 0.6939 0.055 Uiso 1 1 calc R U
C25D C 0.4619(4) -0.0734(4) 0.6659(4) 0.050(2) Uani 1 1 d . .
H25D H 0.4965 -0.0789 0.7000 0.060 Uiso 1 1 calc R U
C26A C 0.3392(4) 0.9947(3) 0.0735(3) 0.036(2) Uani 1 1 d . .
C26B C 0.6449(4) 0.5588(3) 0.1037(3) 0.0351(19) Uani 1 1 d . .
H26B H 0.6810 0.5517 0.0843 0.042 Uiso 1 1 calc R U
C26C C 0.6647(4) 0.5108(3) 0.6402(4) 0.040(2) Uani 1 1 d . .
C26D C 0.3917(4) -0.1361(4) 0.6326(4) 0.043(2) Uani 1 1 d . .
H26D H 0.3801 -0.1831 0.6454 0.052 Uiso 1 1 calc R U
C27A C 0.3562(4) 0.9377(3) 0.0538(3) 0.0347(19) Uani 1 1 d . .
H27A H 0.3221 0.9021 0.0194 0.042 Uiso 1 1 calc R U
C27B C 0.5754(4) 0.4992(3) 0.1100(3) 0.039(2) Uani 1 1 d . .
C27C C 0.6476(4) 0.5647(4) 0.6121(4) 0.042(2) Uani 1 1 d . .
H27C H 0.6810 0.5980 0.5882 0.050 Uiso 1 1 calc R U
C27D C 0.3416(4) -0.1277(4) 0.5823(3) 0.041(2) Uani 1 1 d . .
C28A C 0.2057(4) 0.9329(3) -0.0350(3) 0.039(2) Uani 1 1 d . .
C28B C 0.7954(4) 0.6921(4) 0.0678(3) 0.051(2) Uani 1 1 d D .
C28C C 0.8262(4) 0.5458(3) 0.7013(3) 0.037(2) Uani 1 1 d . .
C28D C 0.2141(4) -0.1811(4) 0.4705(4) 0.046(2) Uani 1 1 d D .
C29A C 0.1550(5) 0.8577(4) -0.0277(5) 0.065(3) Uani 1 1 d . .
H29A H 0.1399 0.8443 0.0116 0.078 Uiso 1 1 calc R U
C29B C 0.7607(5) 0.6655(5) 0.0057(4) 0.074(3) Uani 1 1 d D .
H29B H 0.7094 0.6590 -0.0092 0.089 Uiso 1 1 calc R U
C29C C 0.8930(4) 0.5334(5) 0.7133(5) 0.069(3) Uani 1 1 d . .
H29C H 0.8964 0.5009 0.6839 0.083 Uiso 1 1 calc R U
C29D C 0.2531(4) -0.1614(5) 0.4196(4) 0.068(3) Uani 1 1 d D .
H29D H 0.2981 -0.1681 0.4215 0.081 Uiso 1 1 calc R U
C30A C 0.1287(5) 0.8050(5) -0.0806(5) 0.077(4) Uani 1 1 d . .
H30A H 0.0951 0.7556 -0.0773 0.092 Uiso 1 1 calc R U
C30B C 0.7964(4) 0.6471(5) -0.0374(4) 0.079(3) Uani 1 1 d D .
H30B H 0.7666 0.6233 -0.0783 0.095 Uiso 1 1 calc R U
C30C C 0.9557(6) 0.5683(6) 0.7683(6) 0.111(5) Uani 1 1 d . .
H30C H 1.0000 0.5599 0.7760 0.134 Uiso 1 1 calc R U
C30D C 0.2296(4) -0.1338(5) 0.3692(4) 0.085(3) Uani 1 1 d D .
H30D H 0.2565 -0.1246 0.3354 0.102 Uiso 1 1 calc R U
C31A C 0.1529(5) 0.8261(5) -0.1391(5) 0.096(4) Uani 1 1 d . .
H31A H 0.1352 0.7906 -0.1745 0.115 Uiso 1 1 calc R U
C31B C 0.8714(5) 0.6622(7) -0.0221(5) 0.138(5) Uani 1 1 d D .
H31B H 0.8943 0.6437 -0.0479 0.165 Uiso 1 1 calc R U
C31C C 0.9458(7) 0.6175(5) 0.8114(5) 0.102(5) Uani 1 1 d . .
H31C H 0.9845 0.6414 0.8489 0.123 Uiso 1 1 calc R U
C31D C 0.1651(4) -0.1173(5) 0.3636(4) 0.089(4) Uani 1 1 d D .
H31D H 0.1499 -0.0963 0.3280 0.107 Uiso 1 1 calc R U
C32A C 0.2001(5) 0.8953(5) -0.1440(4) 0.069(3) Uani 1 1 d . .
H32A H 0.2140 0.9087 -0.1837 0.082 Uiso 1 1 calc R U
C32B C 0.9138(6) 0.7075(7) 0.0350(5) 0.145(5) Uani 1 1 d D U
H32B H 0.9689 0.7304 0.0440 0.175 Uiso 1 1 calc R U
C32C C 0.8818(5) 0.6297(5) 0.7985(5) 0.078(4) Uani 1 1 d . .
H32C H 0.8766 0.6618 0.8270 0.094 Uiso 1 1 calc R U
C32D C 0.1255(5) -0.1342(5) 0.4146(4) 0.080(3) Uani 1 1 d D .
H32D H 0.0842 -0.1221 0.4140 0.096 Uiso 1 1 calc R U
C33A C 0.2302(5) 0.9498(5) -0.0914(4) 0.065(3) Uani 1 1 d . .
H33A H 0.2671 0.9979 -0.0951 0.078 Uiso 1 1 calc R U
C33B C 0.8732(5) 0.7190(6) 0.0797(5) 0.111(4) Uani 1 1 d D U
H33B H 0.9026 0.7468 0.1194 0.133 Uiso 1 1 calc R U
C33C C 0.8261(5) 0.5961(4) 0.7455(4) 0.061(3) Uani 1 1 d . .
H33C H 0.7838 0.6075 0.7375 0.074 Uiso 1 1 calc R U
C33D C 0.1460(4) -0.1687(4) 0.4664(4) 0.063(2) Uani 1 1 d D .
H33D H 0.1158 -0.1835 0.4980 0.075 Uiso 1 1 calc R U
C34A C 0.1837(4) 0.9571(4) 0.0917(3) 0.044(2) Uani 1 1 d . .
C34B C 0.8137(4) 0.7235(3) 0.2034(3) 0.040(2) Uani 1 1 d . .
C34C C 0.7868(4) 0.5577(4) 0.5679(4) 0.052(2) Uani 1 1 d D U
C34D C 0.1804(4) -0.2295(4) 0.5906(4) 0.044(2) Uani 1 1 d . .
C35A C 0.1141(4) 0.9640(5) 0.0829(4) 0.061(3) Uani 1 1 d . .
H35A H 0.1046 0.9915 0.0503 0.074 Uiso 1 1 calc R U
C35B C 0.8750(4) 0.7898(4) 0.2310(4) 0.054(3) Uani 1 1 d . .
H35B H 0.8802 0.8315 0.2101 0.065 Uiso 1 1 calc R U
C35C C 0.8511(5) 0.6289(4) 0.5847(4) 0.076(3) Uani 1 1 d D U
H35C H 0.8791 0.6431 0.6276 0.091 Uiso 1 1 calc R U
C35D C 0.1171(4) -0.3005(4) 0.5826(4) 0.058(3) Uani 1 1 d . .
H35D H 0.1135 -0.3367 0.5528 0.069 Uiso 1 1 calc R U
C36A C 0.0562(5) 0.9303(5) 0.1224(5) 0.078(3) Uani 1 1 d . .
H36A H 0.0112 0.9374 0.1175 0.093 Uiso 1 1 calc R U
C36B C 0.9297(4) 0.8002(5) 0.2871(4) 0.063(3) Uani 1 1 d . .
H36B H 0.9737 0.8459 0.3010 0.076 Uiso 1 1 calc R U
C36C C 0.8737(6) 0.6785(5) 0.5388(4) 0.097(3) Uani 1 1 d D U
H36C H 0.9150 0.7263 0.5503 0.116 Uiso 1 1 calc R U
C36D C 0.0590(5) -0.3175(6) 0.6195(5) 0.089(4) Uani 1 1 d . .
H36D H 0.0159 -0.3645 0.6140 0.107 Uiso 1 1 calc R U
C37A C 0.0705(5) 0.8885(6) 0.1663(5) 0.095(4) Uani 1 1 d . .
H37A H 0.0330 0.8630 0.1907 0.114 Uiso 1 1 calc R U
C37B C 0.9169(5) 0.7415(6) 0.3212(4) 0.074(3) Uani 1 1 d . .
H37B H 0.9496 0.7472 0.3615 0.088 Uiso 1 1 calc R U
C37C C 0.8332(5) 0.6544(5) 0.4759(4) 0.087(3) Uani 1 1 d D U
H37C H 0.8488 0.6858 0.4438 0.104 Uiso 1 1 calc R U
C37D C 0.0676(5) -0.2633(6) 0.6635(5) 0.095(4) Uani 1 1 d . .
H37D H 0.0291 -0.2748 0.6881 0.114 Uiso 1 1 calc R U
C38A C 0.1408(5) 0.8823(6) 0.1762(5) 0.082(4) Uani 1 1 d . .
H38A H 0.1516 0.8571 0.2102 0.098 Uiso 1 1 calc R U
C38B C 0.8560(5) 0.6737(5) 0.2966(5) 0.072(3) Uani 1 1 d . .
H38B H 0.8477 0.6333 0.3204 0.086 Uiso 1 1 calc R U
C38C C 0.7690(5) 0.5842(4) 0.4585(4) 0.083(3) Uani 1 1 d D U
H38C H 0.7405 0.5690 0.4158 0.099 Uiso 1 1 calc R U
C38D C 0.1292(5) -0.1929(5) 0.6740(5) 0.080(3) Uani 1 1 d . .
H38D H 0.1339 -0.1577 0.7055 0.097 Uiso 1 1 calc R U
C39A C 0.1961(5) 0.9133(4) 0.1360(4) 0.065(3) Uani 1 1 d . .
H39A H 0.2397 0.9040 0.1399 0.078 Uiso 1 1 calc R U
C39B C 0.8071(5) 0.6640(5) 0.2378(5) 0.067(3) Uani 1 1 d . .
H39B H 0.7686 0.6164 0.2206 0.081 Uiso 1 1 calc R U
C39C C 0.7501(5) 0.5394(5) 0.5052(4) 0.071(2) Uani 1 1 d D U
H39C H 0.7082 0.4920 0.4934 0.085 Uiso 1 1 calc R U
C39D C 0.1858(4) -0.1766(5) 0.6340(4) 0.063(3) Uani 1 1 d . .
H39D H 0.2271 -0.1288 0.6377 0.076 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
P2B Cu1 P1A 117.25(8) . .
P2B Cu1 Cl2 111.75(8) . .
P1A Cu1 Cl2 111.22(8) . .
P2B Cu1 Cl1 101.53(8) . .
P1A Cu1 Cl1 119.11(7) . .
Cl2 Cu1 Cl1 93.34(7) . .
P2A Cu2 P1B 116.41(8) . 1_565
P2A Cu2 Cl2 114.37(9) . 2_675
P1B Cu2 Cl2 110.21(7) 1_565 2_675
P2A Cu2 Cl1 101.03(7) . 2_675
P1B Cu2 Cl1 120.21(9) 1_565 2_675
Cl2 Cu2 Cl1 92.22(7) 2_675 2_675
P2C Cu3 P1D 116.78(8) . .
P2C Cu3 Cl4 111.81(8) . 2_656
P1D Cu3 Cl4 113.99(7) . 2_656
P2C Cu3 Cl3 102.18(7) . .
P1D Cu3 Cl3 117.22(8) . .
Cl4 Cu3 Cl3 91.74(7) 2_656 .
P2D Cu4 P1C 115.79(8) . 1_545
P2D Cu4 Cl4 115.28(8) . .
P1C Cu4 Cl4 113.51(8) 1_545 .
P2D Cu4 Cl3 99.18(8) . 2_656
P1C Cu4 Cl3 119.21(7) 1_545 2_656
Cl4 Cu4 Cl3 90.78(7) . 2_656
Cu1 Cl1 Cu2 85.65(6) . 2_675
Cu1 Cl2 Cu2 88.77(7) . 2_675
Cu3 Cl3 Cu4 87.86(6) . 2_656
Cu4 Cl4 Cu3 89.62(6) . 2_656
C7A P1A C1A 101.3(3) . .
C7A P1A C13A 106.0(3) . .
C1A P1A C13A 103.5(4) . .
C7A P1A Cu1 115.0(3) . .
C1A P1A Cu1 115.6(3) . .
C13A P1A Cu1 114.0(3) . .
C13B P1B C12B 106.6(3) . .
C13B P1B C1B 101.4(3) . .
C12B P1B C1B 102.8(4) . .
C13B P1B Cu2 115.8(2) . 1_545
C12B P1B Cu2 112.8(2) . 1_545
C1B P1B Cu2 115.9(3) . 1_545
C7C P1C C1C 101.9(3) . .
C7C P1C C13C 106.5(3) . .
C1C P1C C13C 100.3(3) . .
C7C P1C Cu4 113.7(3) . 1_565
C1C P1C Cu4 116.8(2) . 1_565
C13C P1C Cu4 115.9(2) . 1_565
C1D P1D C13D 102.9(3) . .
C1D P1D C7D 102.6(3) . .
C13D P1D C7D 101.8(3) . .
C1D P1D Cu3 115.6(2) . .
C13D P1D Cu3 116.0(2) . .
C7D P1D Cu3 115.8(2) . .
C34A P2A C26A 102.9(3) . .
C34A P2A C28A 102.0(3) . .
C26A P2A C28A 102.8(3) . .
C34A P2A Cu2 110.7(3) . .
C26A P2A Cu2 114.7(2) . .
C28A P2A Cu2 121.4(2) . .
C25B P2B C28B 104.3(3) . .
C25B P2B C34B 102.6(3) . .
C28B P2B C34B 102.7(4) . .
C25B P2B Cu1 115.3(3) . .
C28B P2B Cu1 119.6(3) . .
C34B P2B Cu1 110.2(2) . .
C34C P2C C28C 102.0(3) . .
C34C P2C C26C 102.2(4) . .
C28C P2C C26C 103.9(3) . .
C34C P2C Cu3 120.2(3) . .
C28C P2C Cu3 109.5(3) . .
C26C P2C Cu3 116.9(2) . .
C28D P2D C34D 101.0(4) . .
C28D P2D C27D 103.1(3) . .
C34D P2D C27D 104.6(3) . .
C28D P2D Cu4 122.1(3) . .
C34D P2D Cu4 108.9(3) . .
C27D P2D Cu4 115.0(3) . .
C6A C1A C2A 118.4(7) . .
C6A C1A P1A 122.3(7) . .
C2A C1A P1A 119.2(6) . .
C2B C1B C6B 120.5(8) . .
C2B C1B P1B 123.4(6) . .
C6B C1B P1B 116.2(5) . .
C2C C1C C6C 119.1(7) . .
C2C C1C P1C 122.0(7) . .
C6C C1C P1C 118.9(5) . .
C2D C1D C6D 116.9(8) . .
C2D C1D P1D 119.2(6) . .
C6D C1D P1D 123.8(7) . .
C3A C2A C1A 121.3(8) . .
C3A C2A H2A 119.4 . .
C1A C2A H2A 119.4 . .
C1B C2B C3B 120.4(7) . .
C1B C2B H2B 119.8 . .
C3B C2B H2B 119.8 . .
C3C C2C C1C 119.5(9) . .
C3C C2C H2C 120.2 . .
C1C C2C H2C 120.2 . .
C1D C2D C3D 122.8(9) . .
C1D C2D H2D 118.6 . .
C3D C2D H2D 118.6 . .
C2A C3A C4A 118.1(10) . .
C2A C3A H3A 120.9 . .
C4A C3A H3A 121.0 . .
C4B C3B C2B 117.6(7) . .
C4B C3B H3B 121.2 . .
C2B C3B H3B 121.2 . .
C4C C3C C2C 122.2(8) . .
C4C C3C H3C 118.9 . .
C2C C3C H3C 118.9 . .
C2D C3D C4D 119.3(10) . .
C2D C3D H3D 120.4 . .
C4D C3D H3D 120.4 . .
C5A C4A C3A 122.7(9) . .
C5A C4A H4A 118.6 . .
C3A C4A H4A 118.6 . .
C3B C4B C5B 121.0(8) . .
C3B C4B H4B 119.5 . .
C5B C4B H4B 119.5 . .
C3C C4C C5C 119.0(9) . .
C3C C4C H4C 120.5 . .
C5C C4C H4C 120.5 . .
C5D C4D C3D 118.2(10) . .
C5D C4D H4D 120.9 . .
C3D C4D H4D 120.9 . .
C4A C5A C6A 116.2(8) . .
C4A C5A H5A 121.9 . .
C6A C5A H5A 121.9 . .
C6B C5B C4B 113.9(7) . .
C6B C5B H5B 123.1 . .
C4B C5B H5B 123.1 . .
C4C C5C C6C 121.5(10) . .
C4C C5C H5C 119.2 . .
C6C C5C H5C 119.2 . .
C6D C5D C4D 120.6(11) . .
C6D C5D H5D 119.7 . .
C4D C5D H5D 119.7 . .
C5A C6A C1A 123.1(9) . .
C5A C6A H6A 118.5 . .
C1A C6A H6A 118.5 . .
C5B C6B C1B 124.3(7) . .
C5B C6B H6B 117.9 . .
C1B C6B H6B 117.9 . .
C5C C6C C1C 118.7(7) . .
C5C C6C H6C 120.6 . .
C1C C6C H6C 120.6 . .
C5D C6D C1D 122.0(11) . .
C5D C6D H6D 119.0 . .
C1D C6D H6D 119.0 . .
C12A C7A C8A 119.9(7) . .
C12A C7A P1A 118.1(6) . .
C8A C7A P1A 122.0(6) . .
C12B C7B C8B 117.5(8) . .
C12B C7B H7B 121.2 . .
C8B C7B H7B 121.2 . .
C12C C7C C8C 118.2(6) . .
C12C C7C P1C 117.1(6) . .
C8C C7C P1C 124.5(5) . .
C12D C7D C8D 120.4(7) . .
C12D C7D P1D 123.7(5) . .
C8D C7D P1D 115.9(6) . .
C9A C8A C7A 123.5(10) . .
C9A C8A H8A 118.3 . .
C7A C8A H8A 118.3 . .
C9B C8B C7B 122.1(10) . .
C9B C8B H8B 119.0 . .
C7B C8B H8B 119.0 . .
C9C C8C C7C 123.1(8) . .
C9C C8C H8C 118.5 . .
C7C C8C H8C 118.5 . .
C9D C8D C7D 116.6(7) . .
C9D C8D H8D 121.7 . .
C7D C8D H8D 121.7 . .
C10A C9A C8A 118.9(12) . .
C10A C9A H9A 120.6 . .
C8A C9A H9A 120.6 . .
C8B C9B C10B 117.7(9) . .
C8B C9B H9B 121.1 . .
C10B C9B H9B 121.1 . .
C10C C9C C8C 119.2(9) . .
C10C C9C H9C 120.4 . .
C8C C9C H9C 120.4 . .
C8D C9D C10D 120.9(8) . .
C8D C9D H9D 119.6 . .
C10D C9D H9D 119.6 . .
C9A C10A C11A 118.3(10) . .
C9A C10A H10A 120.9 . .
C11A C10A H10A 120.9 . .
C9B C10B C11B 121.2(9) . .
C9B C10B H10B 119.4 . .
C11B C10B H10B 119.4 . .
C9C C10C C11C 120.4(8) . .
C9C C10C H10C 119.8 . .
C11C C10C H10C 119.8 . .
C11D C10D C9D 120.2(9) . .
C11D C10D H10D 119.9 . .
C9D C10D H10D 119.9 . .
C12A C11A C10A 121.5(11) . .
C12A C11A H11A 119.2 . .
C10A C11A H11A 119.2 . .
C12B C11B C10B 119.8(10) . .
C12B C11B H11B 120.1 . .
C10B C11B H11B 120.1 . .
C10C C11C C12C 120.3(9) . .
C10C C11C H11C 119.9 . .
C12C C11C H11C 119.9 . .
C10D C11D C12D 120.9(8) . .
C10D C11D H11D 119.5 . .
C12D C11D H11D 119.5 . .
C7A C12A C11A 117.8(10) . .
C7A C12A H12A 121.1 . .
C11A C12A H12A 121.1 . .
C11B C12B C7B 120.5(8) . .
C11B C12B P1B 120.0(7) . .
C7B C12B P1B 119.5(6) . .
C7C C12C C11C 118.8(9) . .
C7C C12C H12C 120.6 . .
C11C C12C H12C 120.6 . .
C7D C12D C11D 120.9(6) . .
C7D C12D H12D 119.6 . .
C11D C12D H12D 119.6 . .
C18A C13A C14A 118.8(7) . .
C18A C13A P1A 117.8(6) . .
C14A C13A P1A 123.3(5) . .
C14B C13B C18B 116.0(6) . .
C14B C13B P1B 125.6(5) . .
C18B C13B P1B 118.3(6) . .
C14C C13C C18C 119.9(7) . .
C14C C13C P1C 121.4(5) . .
C18C C13C P1C 118.7(5) . .
C14D C13D C18D 117.1(5) . .
C14D C13D P1D 124.7(5) . .
C18D C13D P1D 118.2(5) . .
C15A C14A C13A 119.9(7) . .
C15A C14A H14A 120.1 . .
C13A C14A H14A 120.1 . .
C15B C14B C13B 124.3(7) . .
C15B C14B H14B 117.9 . .
C13B C14B H14B 117.9 . .
C13C C14C C15C 120.4(7) . .
C13C C14C H14C 119.8 . .
C15C C14C H14C 119.8 . .
C13D C14D C15D 121.6(6) . .
C13D C14D H14D 119.2 . .
C15D C14D H14D 119.2 . .
C16A C15A C14A 121.7(7) . .
C16A C15A H15A 119.1 . .
C14A C15A H15A 119.1 . .
C14B C15B C16B 118.4(7) . .
C14B C15B H15B 120.8 . .
C16B C15B H15B 120.8 . .
C14C C15C C16C 120.3(7) . .
C14C C15C H15C 119.8 . .
C16C C15C H15C 119.8 . .
C16D C15D C14D 120.3(7) . .
C16D C15D H15D 119.9 . .
C14D C15D H15D 119.9 . .
C15A C16A C17A 118.6(8) . .
C15A C16A C23A 132.3(7) . .
C17A C16A C23A 109.0(6) . .
C15B C16B C17B 121.1(6) . .
C15B C16B C22B 130.4(7) . .
C17B C16B C22B 108.5(6) . .
C17C C16C C15C 116.7(7) . .
C17C C16C C23C 109.6(6) . .
C15C C16C C23C 133.6(7) . .
C15D C16D C17D 120.1(6) . .
C15D C16D C22D 133.2(7) . .
C17D C16D C22D 106.7(6) . .
C18A C17A C16A 120.0(6) . .
C18A C17A C19A 129.4(7) . .
C16A C17A C19A 110.5(7) . .
C16B C17B C18B 118.4(6) . .
C16B C17B C19B 112.1(5) . .
C18B C17B C19B 129.5(7) . .
C18C C17C C16C 123.0(7) . .
C18C C17C C19C 128.0(6) . .
C16C C17C C19C 109.0(7) . .
C18D C17D C16D 117.4(6) . .
C18D C17D C19D 131.3(7) . .
C16D C17D C19D 111.3(5) . .
C13A C18A C17A 120.8(7) . .
C13A C18A H18A 119.6 . .
C17A C18A H18A 119.6 . .
C13B C18B C17B 121.5(7) . .
C13B C18B H18B 119.2 . .
C17B C18B H18B 119.2 . .
C17C C18C C13C 119.6(7) . .
C17C C18C H18C 120.2 . .
C13C C18C H18C 120.2 . .
C17D C18D C13D 123.5(7) . .
C17D C18D H18D 118.3 . .
C13D C18D H18D 118.3 . .
C20A C19A C17A 113.5(7) . .
C20A C19A C21A 112.4(7) . .
C17A C19A C21A 111.3(6) . .
C20A C19A C22A 108.9(6) . .
C17A C19A C22A 101.9(6) . .
C21A C19A C22A 108.2(6) . .
C21B C19B C17B 114.5(6) . .
C21B C19B C27B 112.7(6) . .
C17B C19B C27B 101.0(6) . .
C21B C19B C20B 110.0(7) . .
C17B C19B C20B 108.9(6) . .
C27B C19B C20B 109.3(7) . .
C22C C19C C21C 111.3(6) . .
C22C C19C C20C 111.5(7) . .
C21C C19C C20C 112.4(7) . .
C22C C19C C17C 101.8(6) . .
C21C C19C C17C 110.7(7) . .
C20C C19C C17C 108.7(6) . .
C17D C19D C23D 101.6(6) . .
C17D C19D C21D 111.3(6) . .
C23D C19D C21D 112.8(6) . .
C17D C19D C20D 111.6(6) . .
C23D C19D C20D 109.0(6) . .
C21D C19D C20D 110.3(7) . .
C19A C20A H20A 109.5 . .
C19A C20A H20B 109.5 . .
H20A C20A H20B 109.5 . .
C19A C20A H20C 109.5 . .
H20A C20A H20C 109.5 . .
H20B C20A H20C 109.5 . .
C19B C20B H20D 109.5 . .
C19B C20B H20E 109.5 . .
H20D C20B H20E 109.5 . .
C19B C20B H20F 109.5 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
C19C C20C H20G 109.5 . .
C19C C20C H20H 109.5 . .
H20G C20C H20H 109.5 . .
C19C C20C H20I 109.5 . .
H20G C20C H20I 109.5 . .
H20H C20C H20I 109.5 . .
C19D C20D H20J 109.5 . .
C19D C20D H20K 109.5 . .
H20J C20D H20K 109.5 . .
C19D C20D H20L 109.5 . .
H20J C20D H20L 109.5 . .
H20K C20D H20L 109.5 . .
C19A C21A H21A 109.5 . .
C19A C21A H21B 109.5 . .
H21A C21A H21B 109.5 . .
C19A C21A H21C 109.5 . .
H21A C21A H21C 109.5 . .
H21B C21A H21C 109.5 . .
C19B C21B H21D 109.5 . .
C19B C21B H21E 109.5 . .
H21D C21B H21E 109.5 . .
C19B C21B H21F 109.5 . .
H21D C21B H21F 109.5 . .
H21E C21B H21F 109.5 . .
C19C C21C H21G 109.5 . .
C19C C21C H21H 109.5 . .
H21G C21C H21H 109.5 . .
C19C C21C H21I 109.5 . .
H21G C21C H21I 109.5 . .
H21H C21C H21I 109.5 . .
C19D C21D H21J 109.5 . .
C19D C21D H21K 109.5 . .
H21J C21D H21K 109.5 . .
C19D C21D H21L 109.5 . .
H21J C21D H21L 109.5 . .
H21K C21D H21L 109.5 . .
C27A C22A C23A 123.4(7) . .
C27A C22A C19A 129.2(6) . .
C23A C22A C19A 107.4(6) . .
C23B C22B C27B 119.1(6) . .
C23B C22B C16B 133.1(7) . .
C27B C22B C16B 107.8(6) . .
C27C C22C C23C 120.9(7) . .
C27C C22C C19C 128.4(6) . .
C23C C22C C19C 110.7(6) . .
C25D C22D C23D 120.7(6) . .
C25D C22D C16D 129.9(7) . .
C23D C22D C16D 109.4(6) . .
C24A C23A C16A 131.7(6) . .
C24A C23A C22A 117.4(7) . .
C16A C23A C22A 111.0(6) . .
C24B C23B C22B 119.5(7) . .
C24B C23B H23B 120.2 . .
C22B C23B H23B 120.2 . .
C24C C23C C22C 119.3(7) . .
C24C C23C C16C 131.9(6) . .
C22C C23C C16C 108.7(6) . .
C22D C23D C24D 121.9(6) . .
C22D C23D C19D 110.8(5) . .
C24D C23D C19D 127.2(7) . .
C23A C24A C25A 119.0(6) . .
C23A C24A H24A 120.5 . .
C25A C24A H24A 120.5 . .
C23B C24B C25B 123.5(7) . .
C23B C24B H24B 118.2 . .
C25B C24B H24B 118.2 . .
C23C C24C C25C 120.4(7) . .
C23C C24C H24C 119.8 . .
C25C C24C H24C 119.8 . .
C27D C24D C23D 116.9(7) . .
C27D C24D H24D 121.5 . .
C23D C24D H24D 121.5 . .
C26A C25A C24A 122.1(7) . .
C26A C25A H25A 119.0 . .
C24A C25A H25A 119.0 . .
C26B C25B C24B 117.1(6) . .
C26B C25B P2B 125.9(6) . .
C24B C25B P2B 116.9(5) . .
C24C C25C C26C 119.9(7) . .
C24C C25C H25C 120.0 . .
C26C C25C H25C 120.0 . .
C22D C25D C26D 118.3(7) . .
C22D C25D H25D 120.8 . .
C26D C25D H25D 120.8 . .
C25A C26A C27A 118.8(7) . .
C25A C26A P2A 117.2(6) . .
C27A C26A P2A 123.9(5) . .
C27B C26B C25B 118.9(7) . .
C27B C26B H26B 120.6 . .
C25B C26B H26B 120.6 . .
C27C C26C C25C 120.8(7) . .
C27C C26C P2C 122.9(5) . .
C25C C26C P2C 116.1(6) . .
C27D C26D C25D 120.6(7) . .
C27D C26D H26D 119.7 . .
C25D C26D H26D 119.7 . .
C22A C27A C26A 119.0(6) . .
C22A C27A H27A 120.5 . .
C26A C27A H27A 120.5 . .
C26B C27B C22B 121.6(6) . .
C26B C27B C19B 127.7(7) . .
C22B C27B C19B 110.6(6) . .
C22C C27C C26C 118.7(6) . .
C22C C27C H27C 120.7 . .
C26C C27C H27C 120.7 . .
C26D C27D C24D 121.5(6) . .
C26D C27D P2D 116.9(5) . .
C24D C27D P2D 121.6(5) . .
C33A C28A C29A 119.3(7) . .
C33A C28A P2A 121.0(5) . .
C29A C28A P2A 118.9(6) . .
C33B C28B C29B 113.3(8) . .
C33B C28B P2B 119.5(7) . .
C29B C28B P2B 124.8(6) . .
C33C C28C C29C 115.6(7) . .
C33C C28C P2C 126.9(6) . .
C29C C28C P2C 117.5(6) . .
C29D C28D C33D 116.8(7) . .
C29D C28D P2D 120.3(6) . .
C33D C28D P2D 122.7(6) . .
C30A C29A C28A 118.3(8) . .
C30A C29A H29A 120.8 . .
C28A C29A H29A 120.8 . .
C28B C29B C30B 123.9(8) . .
C28B C29B H29B 118.0 . .
C30B C29B H29B 118.0 . .
C28C C29C C30C 122.8(10) . .
C28C C29C H29C 118.6 . .
C30C C29C H29C 118.6 . .
C30D C29D C28D 122.9(8) . .
C30D C29D H29D 118.6 . .
C28D C29D H29D 118.6 . .
C29A C30A C31A 119.9(8) . .
C29A C30A H30A 120.0 . .
C31A C30A H30A 120.0 . .
C31B C30B C29B 121.6(8) . .
C31B C30B H30B 119.2 . .
C29B C30B H30B 119.2 . .
C29C C30C C31C 115.1(11) . .
C29C C30C H30C 122.4 . .
C31C C30C H30C 122.4 . .
C29D C30D C31D 122.9(8) . .
C29D C30D H30D 118.5 . .
C31D C30D H30D 118.5 . .
C32A C31A C30A 120.3(9) . .
C32A C31A H31A 119.9 . .
C30A C31A H31A 119.9 . .
C30B C31B C32B 115.1(10) . .
C30B C31B H31B 122.4 . .
C32B C31B H31B 122.4 . .
C32C C31C C30C 121.3(9) . .
C32C C31C H31C 119.3 . .
C30C C31C H31C 119.3 . .
C32D C31D C30D 116.1(8) . .
C32D C31D H31D 121.9 . .
C30D C31D H31D 121.9 . .
C31A C32A C33A 121.7(8) . .
C31A C32A H32A 119.2 . .
C33A C32A H32A 119.2 . .
C31B C32B C33B 119.7(10) . .
C31B C32B H32B 120.2 . .
C33B C32B H32B 120.2 . .
C33C C32C C31C 120.2(11) . .
C33C C32C H32C 119.9 . .
C31C C32C H32C 119.9 . .
C31D C32D C33D 121.7(9) . .
C31D C32D H32D 119.1 . .
C33D C32D H32D 119.1 . .
C28A C33A C32A 120.1(7) . .
C28A C33A H33A 119.9 . .
C32A C33A H33A 119.9 . .
C28B C33B C32B 122.9(9) . .
C28B C33B H33B 118.5 . .
C32B C33B H33B 118.5 . .
C32C C33C C28C 124.9(10) . .
C32C C33C H33C 117.5 . .
C28C C33C H33C 117.5 . .
C32D C33D C28D 119.3(7) . .
C32D C33D H33D 120.4 . .
C28D C33D H33D 120.4 . .
C39A C34A C35A 119.4(7) . .
C39A C34A P2A 123.8(7) . .
C35A C34A P2A 116.6(6) . .
C35B C34B C39B 114.7(7) . .
C35B C34B P2B 120.9(6) . .
C39B C34B P2B 124.3(5) . .
C39C C34C C35C 116.9(7) . .
C39C C34C P2C 121.5(5) . .
C35C C34C P2C 121.5(6) . .
C39D C34D C35D 120.1(7) . .
C39D C34D P2D 122.9(5) . .
C35D C34D P2D 117.0(6) . .
C34A C35A C36A 122.5(8) . .
C34A C35A H35A 118.7 . .
C36A C35A H35A 118.7 . .
C34B C35B C36B 125.4(8) . .
C34B C35B H35B 117.3 . .
C36B C35B H35B 117.3 . .
C36C C35C C34C 121.4(8) . .
C36C C35C H35C 119.3 . .
C34C C35C H35C 119.3 . .
C34D C35D C36D 120.1(8) . .
C34D C35D H35D 119.9 . .
C36D C35D H35D 119.9 . .
C37A C36A C35A 116.6(10) . .
C37A C36A H36A 121.7 . .
C35A C36A H36A 121.7 . .
C37B C36B C35B 117.2(7) . .
C37B C36B H36B 121.4 . .
C35B C36B H36B 121.4 . .
C37C C36C C35C 117.4(8) . .
C37C C36C H36C 121.3 . .
C35C C36C H36C 121.3 . .
C37D C36D C35D 118.0(8) . .
C37D C36D H36D 121.0 . .
C35D C36D H36D 121.0 . .
C36A C37A C38A 121.1(9) . .
C36A C37A H37A 119.5 . .
C38A C37A H37A 119.5 . .
C36B C37B C38B 119.9(8) . .
C36B C37B H37B 120.0 . .
C38B C37B H37B 120.0 . .
C36C C37C C38C 121.9(8) . .
C36C C37C H37C 119.0 . .
C38C C37C H37C 119.0 . .
C36D C37D C38D 124.3(9) . .
C36D C37D H37D 117.9 . .
C38D C37D H37D 117.9 . .
C37A C38A C39A 122.0(10) . .
C37A C38A H38A 119.0 . .
C39A C38A H38A 119.0 . .
C37B C38B C39B 121.2(9) . .
C37B C38B H38B 119.4 . .
C39B C38B H38B 119.4 . .
C39C C38C C37C 117.6(8) . .
C39C C38C H38C 121.2 . .
C37C C38C H38C 121.2 . .
C37D C38D C39D 116.3(9) . .
C37D C38D H38D 121.8 . .
C39D C38D H38D 121.8 . .
C34A C39A C38A 117.9(9) . .
C34A C39A H39A 121.0 . .
C38A C39A H39A 121.0 . .
C38B C39B C34B 121.1(8) . .
C38B C39B H39B 119.5 . .
C34B C39B H39B 119.4 . .
C38C C39C C34C 124.8(8) . .
C38C C39C H39C 117.6 . .
C34C C39C H39C 117.6 . .
C34D C39D C38D 121.1(7) . .
C34D C39D H39D 119.4 . .
C38D C39D H39D 119.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 P2B 2.284(2) .
Cu1 P1A 2.292(2) .
Cu1 Cl2 2.375(2) .
Cu1 Cl1 2.431(2) .
Cu2 P2A 2.276(2) .
Cu2 P1B 2.298(2) 1_565
Cu2 Cl2 2.384(2) 2_675
Cu2 Cl1 2.467(2) 2_675
Cu3 P2C 2.289(2) .
Cu3 P1D 2.291(2) .
Cu3 Cl4 2.4032(19) 2_656
Cu3 Cl3 2.407(2) .
Cu4 P2D 2.284(2) .
Cu4 P1C 2.305(2) 1_545
Cu4 Cl4 2.389(2) .
Cu4 Cl3 2.4606(19) 2_656
Cl1 Cu2 2.466(2) 2_675
Cl2 Cu2 2.384(2) 2_675
Cl3 Cu4 2.4607(19) 2_656
Cl4 Cu3 2.4032(19) 2_656
P1A C7A 1.837(7) .
P1A C1A 1.840(8) .
P1A C13A 1.854(8) .
P1B C13B 1.822(6) .
P1B C12B 1.849(8) .
P1B C1B 1.851(8) .
P1B Cu2 2.298(2) 1_545
P1C C7C 1.806(6) .
P1C C1C 1.836(7) .
P1C C13C 1.864(8) .
P1C Cu4 2.305(2) 1_565
P1D C1D 1.823(8) .
P1D C13D 1.827(6) .
P1D C7D 1.841(8) .
P2A C34A 1.813(7) .
P2A C26A 1.833(8) .
P2A C28A 1.851(7) .
P2B C25B 1.816(6) .
P2B C28B 1.817(8) .
P2B C34B 1.820(7) .
P2C C34C 1.803(8) .
P2C C28C 1.813(7) .
P2C C26C 1.863(8) .
P2D C28D 1.806(8) .
P2D C34D 1.828(8) .
P2D C27D 1.844(6) .
C1A C6A 1.382(11) .
C1A C2A 1.386(12) .
C1B C2B 1.330(9) .
C1B C6B 1.430(9) .
C1C C2C 1.385(10) .
C1C C6C 1.409(12) .
C1D C2D 1.356(11) .
C1D C6D 1.415(12) .
C2A C3A 1.355(12) .
C2A H2A 0.9300 .
C2B C3B 1.429(13) .
C2B H2B 0.9300 .
C2C C3C 1.379(12) .
C2C H2C 0.9300 .
C2D C3D 1.368(13) .
C2D H2D 0.9300 .
C3A C4A 1.414(14) .
C3A H3A 0.9300 .
C3B C4B 1.410(11) .
C3B H3B 0.9300 .
C3C C4C 1.354(14) .
C3C H3C 0.9300 .
C3D C4D 1.428(16) .
C3D H3D 0.9300 .
C4A C5A 1.374(13) .
C4A H4A 0.9300 .
C4B C5B 1.504(10) .
C4B H4B 0.9300 .
C4C C5C 1.364(12) .
C4C H4C 0.9300 .
C4D C5D 1.374(17) .
C4D H4D 0.9300 .
C5A C6A 1.376(11) .
C5A H5A 0.9300 .
C5B C6B 1.306(11) .
C5B H5B 0.9300 .
C5C C6C 1.392(12) .
C5C H5C 0.9300 .
C5D C6D 1.355(13) .
C5D H5D 0.9300 .
C6A H6A 0.9300 .
C6B H6B 0.9300 .
C6C H6C 0.9300 .
C6D H6D 0.9300 .
C7A C12A 1.351(11) .
C7A C8A 1.389(13) .
C7B C12B 1.395(11) .
C7B C8B 1.418(12) .
C7B H7B 0.9300 .
C7C C12C 1.368(10) .
C7C C8C 1.386(11) .
C7D C12D 1.391(10) .
C7D C8D 1.437(9) .
C8A C9A 1.372(12) .
C8A H8A 0.9300 .
C8B C9B 1.338(13) .
C8B H8B 0.9300 .
C8C C9C 1.363(9) .
C8C H8C 0.9300 .
C8D C9D 1.394(13) .
C8D H8D 0.9300 .
C9A C10A 1.346(17) .
C9A H9A 0.9300 .
C9B C10B 1.369(15) .
C9B H9B 0.9300 .
C9C C10C 1.346(13) .
C9C H9C 0.9300 .
C9D C10D 1.458(12) .
C9D H9D 0.9300 .
C10A C11A 1.447(19) .
C10A H10A 0.9300 .
C10B C11B 1.400(13) .
C10B H10B 0.9300 .
C10C C11C 1.377(15) .
C10C H10C 0.9300 .
C10D C11D 1.315(11) .
C10D H10D 0.9300 .
C11A C12A 1.400(12) .
C11A H11A 0.9300 .
C11B C12B 1.335(11) .
C11B H11B 0.9300 .
C11C C12C 1.422(11) .
C11C H11C 0.9300 .
C11D C12D 1.395(12) .
C11D H11D 0.9300 .
C12A H12A 0.9300 .
C12C H12C 0.9300 .
C12D H12D 0.9300 .
C13A C18A 1.360(9) .
C13A C14A 1.418(10) .
C13B C14B 1.378(10) .
C13B C18B 1.392(10) .
C13C C14C 1.369(10) .
C13C C18C 1.388(9) .
C13D C14D 1.368(10) .
C13D C18D 1.405(9) .
C14A C15A 1.369(11) .
C14A H14A 0.9300 .
C14B C15B 1.354(9) .
C14B H14B 0.9300 .
C14C C15C 1.390(11) .
C14C H14C 0.9300 .
C14D C15D 1.375(9) .
C14D H14D 0.9300 .
C15A C16A 1.348(9) .
C15A H15A 0.9300 .
C15B C16B 1.375(10) .
C15B H15B 0.9300 .
C15C C16C 1.409(10) .
C15C H15C 0.9300 .
C15D C16D 1.374(9) .
C15D H15D 0.9300 .
C16A C17A 1.423(10) .
C16A C23A 1.426(11) .
C16B C17B 1.383(10) .
C16B C22B 1.451(8) .
C16C C17C 1.395(10) .
C16C C23C 1.445(10) .
C16D C17D 1.415(10) .
C16D C22D 1.471(8) .
C17A C18A 1.379(11) .
C17A C19A 1.519(9) .
C17B C18B 1.398(8) .
C17B C19B 1.506(9) .
C17C C18C 1.351(10) .
C17C C19C 1.566(10) .
C17D C18D 1.358(8) .
C17D C19D 1.500(9) .
C18A H18A 0.9300 .
C18B H18B 0.9300 .
C18C H18C 0.9300 .
C18D H18D 0.9300 .
C19A C20A 1.515(9) .
C19A C21A 1.541(11) .
C19A C22A 1.573(10) .
C19B C21B 1.498(11) .
C19B C27B 1.507(9) .
C19B C20B 1.606(11) .
C19C C22C 1.488(11) .
C19C C21C 1.552(10) .
C19C C20C 1.563(11) .
C19D C23D 1.514(9) .
C19D C21D 1.539(11) .
C19D C20D 1.590(12) .
C20A H20A 0.9600 .
C20A H20B 0.9600 .
C20A H20C 0.9600 .
C20B H20D 0.9600 .
C20B H20E 0.9600 .
C20B H20F 0.9600 .
C20C H20G 0.9600 .
C20C H20H 0.9600 .
C20C H20I 0.9600 .
C20D H20J 0.9600 .
C20D H20K 0.9600 .
C20D H20L 0.9600 .
C21A H21A 0.9600 .
C21A H21B 0.9600 .
C21A H21C 0.9600 .
C21B H21D 0.9600 .
C21B H21E 0.9600 .
C21B H21F 0.9600 .
C21C H21G 0.9600 .
C21C H21H 0.9600 .
C21C H21I 0.9600 .
C21D H21J 0.9600 .
C21D H21K 0.9600 .
C21D H21L 0.9600 .
C22A C27A 1.350(9) .
C22A C23A 1.432(9) .
C22B C23B 1.387(10) .
C22B C27B 1.423(11) .
C22C C27C 1.378(10) .
C22C C23C 1.421(9) .
C22D C25D 1.369(10) .
C22D C23D 1.378(10) .
C23A C24A 1.394(11) .
C23B C24B 1.336(8) .
C23B H23B 0.9300 .
C23C C24C 1.361(11) .
C23D C24D 1.403(8) .
C24A C25A 1.411(10) .
C24A H24A 0.9300 .
C24B C25B 1.431(11) .
C24B H24B 0.9300 .
C24C C25C 1.387(11) .
C24C H24C 0.9300 .
C24D C27D 1.402(10) .
C24D H24D 0.9300 .
C25A C26A 1.384(9) .
C25A H25A 0.9300 .
C25B C26B 1.420(9) .
C25C C26C 1.394(9) .
C25C H25C 0.9300 .
C25D C26D 1.424(9) .
C25D H25D 0.9300 .
C26A C27A 1.411(10) .
C26B C27B 1.378(8) .
C26B H26B 0.9300 .
C26C C27C 1.382(10) .
C26D C27D 1.361(10) .
C26D H26D 0.9300 .
C27A H27A 0.9300 .
C27C H27C 0.9300 .
C28A C33A 1.349(10) .
C28A C29A 1.426(10) .
C28B C33B 1.320(11) .
C28B C29B 1.335(9) .
C28C C33C 1.372(11) .
C28C C29C 1.399(12) .
C28D C29D 1.384(10) .
C28D C33D 1.431(11) .
C29A C30A 1.385(13) .
C29A H29A 0.9300 .
C29B C30B 1.374(11) .
C29B H29B 0.9300 .
C29C C30C 1.414(13) .
C29C H29C 0.9300 .
C29D C30D 1.306(10) .
C29D H29D 0.9300 .
C30A C31A 1.401(14) .
C30A H30A 0.9300 .
C30B C31B 1.313(10) .
C30B H30B 0.9300 .
C30C C31C 1.438(18) .
C30C H30C 0.9300 .
C30D C31D 1.411(11) .
C30D H30D 0.9300 .
C31A C32A 1.305(11) .
C31A H31A 0.9300 .
C31B C32B 1.377(12) .
C31B H31B 0.9300 .
C31C C32C 1.345(16) .
C31C H31C 0.9300 .
C31D C32D 1.388(10) .
C31D H31D 0.9300 .
C32A C33A 1.395(11) .
C32A H32A 0.9300 .
C32B C33B 1.409(13) .
C32B H32B 0.9300 .
C32C C33C 1.323(11) .
C32C H32C 0.9300 .
C32D C33D 1.391(10) .
C32D H32D 0.9300 .
C33A H33A 0.9300 .
C33B H33B 0.9300 .
C33C H33C 0.9300 .
C33D H33D 0.9300 .
C34A C39A 1.354(11) .
C34A C35A 1.390(11) .
C34B C35B 1.360(9) .
C34B C39B 1.381(11) .
C34C C39C 1.337(11) .
C34C C35C 1.405(9) .
C34D C39D 1.354(12) .
C34D C35D 1.392(9) .
C35A C36A 1.445(12) .
C35A H35A 0.9300 .
C35B C36B 1.374(11) .
C35B H35B 0.9300 .
C35C C36C 1.385(10) .
C35C H35C 0.9300 .
C35D C36D 1.401(12) .
C35D H35D 0.9300 .
C36A C37A 1.332(15) .
C36A H36A 0.9300 .
C36B C37B 1.344(13) .
C36B H36B 0.9300 .
C36C C37C 1.364(10) .
C36C H36C 0.9300 .
C36D C37D 1.361(15) .
C36D H36D 0.9300 .
C37A C38A 1.395(15) .
C37A H37A 0.9300 .
C37B C38B 1.361(11) .
C37B H37B 0.9300 .
C37C C38C 1.392(10) .
C37C H37C 0.9300 .
C37D C38D 1.370(11) .
C37D H37D 0.9300 .
C38A C39A 1.412(12) .
C38A H38A 0.9300 .
C38B C39B 1.362(12) .
C38B H38B 0.9300 .
C38C C39C 1.334(10) .
C38C H38C 0.9300 .
C38D C39D 1.428(12) .
C38D H38D 0.9300 .
C39A H39A 0.9300 .
C39B H39B 0.9300 .
C39C H39C 0.9300 .
C39D H39D 0.9300 .
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
C7A P1A C1A C6A 129.6(7) .
C13A P1A C1A C6A 19.9(7) .
Cu1 P1A C1A C6A -105.4(7) .
C7A P1A C1A C2A -53.2(7) .
C13A P1A C1A C2A -162.9(6) .
Cu1 P1A C1A C2A 71.8(6) .
C13B P1B C1B C2B -21.3(8) .
C12B P1B C1B C2B -131.4(7) .
Cu2 P1B C1B C2B 105.0(7) 1_545
C13B P1B C1B C6B 159.6(6) .
C12B P1B C1B C6B 49.5(7) .
Cu2 P1B C1B C6B -74.1(7) 1_545
C7C P1C C1C C2C 130.7(6) .
C13C P1C C1C C2C 21.3(7) .
Cu4 P1C C1C C2C -104.8(6) 1_565
C7C P1C C1C C6C -52.0(7) .
C13C P1C C1C C6C -161.4(6) .
Cu4 P1C C1C C6C 72.4(6) 1_565
C13D P1D C1D C2D 92.0(7) .
C7D P1D C1D C2D -162.5(6) .
Cu3 P1D C1D C2D -35.5(7) .
C13D P1D C1D C6D -87.6(7) .
C7D P1D C1D C6D 17.8(7) .
Cu3 P1D C1D C6D 144.9(6) .
C6A C1A C2A C3A -2.1(12) .
P1A C1A C2A C3A -179.5(7) .
C6B C1B C2B C3B -0.6(14) .
P1B C1B C2B C3B -179.7(7) .
C6C C1C C2C C3C -0.9(11) .
P1C C1C C2C C3C 176.4(6) .
C6D C1D C2D C3D 1.8(12) .
P1D C1D C2D C3D -177.9(7) .
C1A C2A C3A C4A 1.3(14) .
C1B C2B C3B C4B 2.7(15) .
C1C C2C C3C C4C -0.5(13) .
C1D C2D C3D C4D -3.7(14) .
C2A C3A C4A C5A -2.0(15) .
C2B C3B C4B C5B 5.3(15) .
C2C C3C C4C C5C 2.1(14) .
C2D C3D C4D C5D 2.5(15) .
C3A C4A C5A C6A 3.5(14) .
C3B C4B C5B C6B -15.5(14) .
C3C C4C C5C C6C -2.2(14) .
C3D C4D C5D C6D 0.6(16) .
C4A C5A C6A C1A -4.4(13) .
C2A C1A C6A C5A 3.8(12) .
P1A C1A C6A C5A -178.9(7) .
C4B C5B C6B C1B 18.4(14) .
C2B C1B C6B C5B -11.4(14) .
P1B C1B C6B C5B 167.7(8) .
C4C C5C C6C C1C 0.8(13) .
C2C C1C C6C C5C 0.7(11) .
P1C C1C C6C C5C -176.6(6) .
C4D C5D C6D C1D -2.7(16) .
C2D C1D C6D C5D 1.5(13) .
P1D C1D C6D C5D -178.9(7) .
C1A P1A C7A C12A 143.3(7) .
C13A P1A C7A C12A -109.0(7) .
Cu1 P1A C7A C12A 17.9(8) .
C1A P1A C7A C8A -33.8(9) .
C13A P1A C7A C8A 74.0(8) .
Cu1 P1A C7A C8A -159.2(7) .
C1C P1C C7C C12C 150.9(8) .
C13C P1C C7C C12C -104.5(8) .
Cu4 P1C C7C C12C 24.3(8) 1_565
C1C P1C C7C C8C -23.8(8) .
C13C P1C C7C C8C 80.9(8) .
Cu4 P1C C7C C8C -150.3(7) 1_565
C1D P1D C7D C12D -124.3(7) .
C13D P1D C7D C12D -18.0(7) .
Cu3 P1D C7D C12D 108.8(6) .
C1D P1D C7D C8D 56.5(7) .
C13D P1D C7D C8D 162.7(6) .
Cu3 P1D C7D C8D -70.4(7) .
C12A C7A C8A C9A 2.2(16) .
P1A C7A C8A C9A 179.2(9) .
C12B C7B C8B C9B 5.6(14) .
C12C C7C C8C C9C 0.8(14) .
P1C C7C C8C C9C 175.5(8) .
C12D C7D C8D C9D -1.7(12) .
P1D C7D C8D C9D 177.6(7) .
C7A C8A C9A C10A -1(2) .
C7B C8B C9B C10B -11.7(16) .
C7C C8C C9C C10C -2.2(16) .
C7D C8D C9D C10D -0.1(14) .
C8A C9A C10A C11A -3(2) .
C8B C9B C10B C11B 12.9(17) .
C8C C9C C10C C11C 1.9(18) .
C8D C9D C10D C11D 1.2(16) .
C9A C10A C11A C12A 5(2) .
C9B C10B C11B C12B -8.2(15) .
C9C C10C C11C C12C -0.5(19) .
C9D C10D C11D C12D -0.5(16) .
C8A C7A C12A C11A 0.4(14) .
P1A C7A C12A C11A -176.8(8) .
C10A C11A C12A C7A -4.0(17) .
C10B C11B C12B C7B 1.9(13) .
C10B C11B C12B P1B -179.2(7) .
C8B C7B C12B C11B -0.5(12) .
C8B C7B C12B P1B -179.5(6) .
C13B P1B C12B C11B 108.0(7) .
C1B P1B C12B C11B -145.8(7) .
Cu2 P1B C12B C11B -20.3(7) 1_545
C13B P1B C12B C7B -73.1(7) .
C1B P1B C12B C7B 33.1(7) .
Cu2 P1B C12B C7B 158.7(5) 1_545
C8C C7C C12C C11C 0.6(15) .
P1C C7C C12C C11C -174.4(8) .
C10C C11C C12C C7C -0.8(18) .
C8D C7D C12D C11D 2.4(12) .
P1D C7D C12D C11D -176.8(7) .
C10D C11D C12D C7D -1.3(14) .
C7A P1A C13A C18A 165.1(6) .
C1A P1A C13A C18A -88.8(6) .
Cu1 P1A C13A C18A 37.6(6) .
C7A P1A C13A C14A -18.0(7) .
C1A P1A C13A C14A 88.1(6) .
Cu1 P1A C13A C14A -145.6(6) .
C12B P1B C13B C14B 20.6(8) .
C1B P1B C13B C14B -86.6(7) .
Cu2 P1B C13B C14B 147.0(6) 1_545
C12B P1B C13B C18B -163.8(6) .
C1B P1B C13B C18B 89.0(6) .
Cu2 P1B C13B C18B -37.4(6) 1_545
C7C P1C C13C C14C -26.9(7) .
C1C P1C C13C C14C 78.9(6) .
Cu4 P1C C13C C14C -154.4(5) 1_565
C7C P1C C13C C18C 153.2(5) .
C1C P1C C13C C18C -101.0(5) .
Cu4 P1C C13C C18C 25.7(6) 1_565
C1D P1D C13D C14D 24.2(8) .
C7D P1D C13D C14D -81.9(8) .
Cu3 P1D C13D C14D 151.5(6) .
C1D P1D C13D C18D -154.8(6) .
C7D P1D C13D C18D 99.1(6) .
Cu3 P1D C13D C18D -27.6(7) .
C18A C13A C14A C15A -5.2(11) .
P1A C13A C14A C15A 178.0(6) .
C18B C13B C14B C15B 5.8(11) .
P1B C13B C14B C15B -178.5(6) .
C18C C13C C14C C15C -1.8(10) .
P1C C13C C14C C15C 178.3(5) .
C18D C13D C14D C15D 0.8(12) .
P1D C13D C14D C15D -178.2(6) .
C13A C14A C15A C16A 2.9(12) .
C13B C14B C15B C16B -3.1(12) .
C13C C14C C15C C16C 1.5(11) .
C13D C14D C15D C16D 1.4(13) .
C14A C15A C16A C17A 1.0(11) .
C14A C15A C16A C23A 176.5(8) .
C14B C15B C16B C17B 0.8(11) .
C14B C15B C16B C22B -179.4(7) .
C14C C15C C16C C17C -0.6(10) .
C14C C15C C16C C23C -176.5(7) .
C14D C15D C16D C17D -3.4(13) .
C14D C15D C16D C22D 178.4(8) .
C15A C16A C17A C18A -2.7(11) .
C23A C16A C17A C18A -179.2(6) .
C15A C16A C17A C19A -178.7(7) .
C23A C16A C17A C19A 4.8(8) .
C15B C16B C17B C18B -1.5(11) .
C22B C16B C17B C18B 178.6(6) .
C15B C16B C17B C19B -179.5(7) .
C22B C16B C17B C19B 0.7(9) .
C15C C16C C17C C18C 0.1(10) .
C23C C16C C17C C18C 176.9(6) .
C15C C16C C17C C19C -178.3(6) .
C23C C16C C17C C19C -1.5(7) .
C15D C16D C17D C18D 3.1(12) .
C22D C16D C17D C18D -178.3(7) .
C15D C16D C17D C19D -179.8(7) .
C22D C16D C17D C19D -1.2(9) .
C14A C13A C18A C17A 3.5(11) .
P1A C13A C18A C17A -179.5(6) .
C16A C17A C18A C13A 0.3(11) .
C19A C17A C18A C13A 175.5(7) .
C14B C13B C18B C17B -6.4(11) .
P1B C13B C18B C17B 177.6(6) .
C16B C17B C18B C13B 4.5(11) .
C19B C17B C18B C13B -178.0(7) .
C16C C17C C18C C13C -0.4(10) .
C19C C17C C18C C13C 177.6(6) .
C14C C13C C18C C17C 1.3(10) .
P1C C13C C18C C17C -178.8(5) .
C16D C17D C18D C13D -0.8(12) .
C19D C17D C18D C13D -177.2(8) .
C14D C13D C18D C17D -1.2(12) .
P1D C13D C18D C17D 178.0(6) .
C18A C17A C19A C20A 62.1(10) .
C16A C17A C19A C20A -122.3(7) .
C18A C17A C19A C21A -65.9(10) .
C16A C17A C19A C21A 109.7(7) .
C18A C17A C19A C22A 179.0(7) .
C16A C17A C19A C22A -5.4(7) .
C16B C17B C19B C21B 121.2(7) .
C18B C17B C19B C21B -56.5(10) .
C16B C17B C19B C27B -0.2(8) .
C18B C17B C19B C27B -177.9(7) .
C16B C17B C19B C20B -115.3(8) .
C18B C17B C19B C20B 67.1(11) .
C18C C17C C19C C22C -179.3(7) .
C16C C17C C19C C22C -1.0(7) .
C18C C17C C19C C21C 62.3(10) .
C16C C17C C19C C21C -119.4(7) .
C18C C17C C19C C20C -61.6(9) .
C16C C17C C19C C20C 116.7(7) .
C18D C17D C19D C23D -179.8(8) .
C16D C17D C19D C23D 3.6(9) .
C18D C17D C19D C21D 59.9(11) .
C16D C17D C19D C21D -116.7(7) .
C18D C17D C19D C20D -63.8(11) .
C16D C17D C19D C20D 119.6(7) .
C20A C19A C22A C27A -56.4(10) .
C17A C19A C22A C27A -176.6(7) .
C21A C19A C22A C27A 66.1(8) .
C20A C19A C22A C23A 124.3(7) .
C17A C19A C22A C23A 4.2(7) .
C21A C19A C22A C23A -113.2(6) .
C15B C16B C22B C23B -3.6(14) .
C17B C16B C22B C23B 176.2(8) .
C15B C16B C22B C27B 179.3(8) .
C17B C16B C22B C27B -0.9(8) .
C21C C19C C22C C27C -60.1(10) .
C20C C19C C22C C27C 66.3(9) .
C17C C19C C22C C27C -178.0(7) .
C21C C19C C22C C23C 121.1(7) .
C20C C19C C22C C23C -112.5(7) .
C17C C19C C22C C23C 3.2(7) .
C15D C16D C22D C25D -3.2(16) .
C17D C16D C22D C25D 178.4(9) .
C15D C16D C22D C23D 176.2(9) .
C17D C16D C22D C23D -2.1(9) .
C15A C16A C23A C24A 2.5(14) .
C17A C16A C23A C24A 178.4(8) .
C15A C16A C23A C22A -177.8(8) .
C17A C16A C23A C22A -1.9(8) .
C27A C22A C23A C24A -1.2(10) .
C19A C22A C23A C24A 178.1(6) .
C27A C22A C23A C16A 179.0(6) .
C19A C22A C23A C16A -1.6(8) .
C27B C22B C23B C24B -3.6(11) .
C16B C22B C23B C24B 179.5(8) .
C27C C22C C23C C24C -1.0(10) .
C19C C22C C23C C24C 177.9(6) .
C27C C22C C23C C16C 176.8(6) .
C19C C22C C23C C16C -4.3(8) .
C17C C16C C23C C24C -179.0(7) .
C15C C16C C23C C24C -3.0(13) .
C17C C16C C23C C22C 3.6(7) .
C15C C16C C23C C22C 179.6(7) .
C25D C22D C23D C24D 1.5(12) .
C16D C22D C23D C24D -178.0(7) .
C25D C22D C23D C19D -175.9(7) .
C16D C22D C23D C19D 4.6(9) .
C17D C19D C23D C22D -4.9(8) .
C21D C19D C23D C22D 114.4(8) .
C20D C19D C23D C22D -122.8(7) .
C17D C19D C23D C24D 177.8(7) .
C21D C19D C23D C24D -62.9(11) .
C20D C19D C23D C24D 59.9(10) .
C16A C23A C24A C25A 178.6(7) .
C22A C23A C24A C25A -1.1(10) .
C22B C23B C24B C25B -1.1(12) .
C22C C23C C24C C25C 0.1(10) .
C16C C23C C24C C25C -177.1(7) .
C22D C23D C24D C27D -1.8(11) .
C19D C23D C24D C27D 175.3(7) .
C23A C24A C25A C26A 5.2(11) .
C23B C24B C25B C26B 3.8(12) .
C23B C24B C25B P2B -175.9(6) .
C28B P2B C25B C26B 16.9(8) .
C34B P2B C25B C26B -90.0(7) .
Cu1 P2B C25B C26B 150.2(6) .
C28B P2B C25B C24B -163.4(6) .
C34B P2B C25B C24B 89.7(7) .
Cu1 P2B C25B C24B -30.2(7) .
C23C C24C C25C C26C 1.0(11) .
C23D C22D C25D C26D -0.9(12) .
C16D C22D C25D C26D 178.5(8) .
C24A C25A C26A C27A -6.8(11) .
C24A C25A C26A P2A 174.9(5) .
C34A P2A C26A C25A -86.6(6) .
C28A P2A C26A C25A 167.7(5) .
Cu2 P2A C26A C25A 33.8(6) .
C34A P2A C26A C27A 95.3(6) .
C28A P2A C26A C27A -10.5(6) .
Cu2 P2A C26A C27A -144.4(5) .
C24B C25B C26B C27B -1.7(10) .
P2B C25B C26B C27B 178.0(6) .
C24C C25C C26C C27C -1.1(11) .
C24C C25C C26C P2C -177.4(5) .
C34C P2C C26C C27C -7.8(7) .
C28C P2C C26C C27C 98.1(6) .
Cu3 P2C C26C C27C -141.1(5) .
C34C P2C C26C C25C 168.4(5) .
C28C P2C C26C C25C -85.8(6) .
Cu3 P2C C26C C25C 35.0(6) .
C22D C25D C26D C27D 0.5(13) .
C23A C22A C27A C26A -0.4(10) .
C19A C22A C27A C26A -179.6(6) .
C25A C26A C27A C22A 4.3(10) .
P2A C26A C27A C22A -177.5(5) .
C25B C26B C27B C22B -3.0(11) .
C25B C26B C27B C19B -179.9(7) .
C23B C22B C27B C26B 5.8(11) .
C16B C22B C27B C26B -176.6(6) .
C23B C22B C27B C19B -176.8(7) .
C16B C22B C27B C19B 0.8(8) .
C21B C19B C27B C26B 54.3(10) .
C17B C19B C27B C26B 176.9(7) .
C20B C19B C27B C26B -68.4(10) .
C21B C19B C27B C22B -123.0(7) .
C17B C19B C27B C22B -0.4(8) .
C20B C19B C27B C22B 114.4(7) .
C23C C22C C27C C26C 0.8(10) .
C19C C22C C27C C26C -177.8(7) .
C25C C26C C27C C22C 0.2(10) .
P2C C26C C27C C22C 176.2(5) .
C25D C26D C27D C24D -0.9(12) .
C25D C26D C27D P2D 178.3(6) .
C23D C24D C27D C26D 1.4(11) .
C23D C24D C27D P2D -177.7(6) .
C28D P2D C27D C26D -170.1(6) .
C34D P2D C27D C26D 84.7(7) .
Cu4 P2D C27D C26D -34.8(7) .
C28D P2D C27D C24D 9.1(7) .
C34D P2D C27D C24D -96.2(7) .
Cu4 P2D C27D C24D 144.4(6) .
C34A P2A C28A C33A 169.9(7) .
C26A P2A C28A C33A -83.8(8) .
Cu2 P2A C28A C33A 46.2(8) .
C34A P2A C28A C29A -20.2(7) .
C26A P2A C28A C29A 86.2(7) .
Cu2 P2A C28A C29A -143.9(6) .
C25B P2B C28B C33B -140.9(9) .
C34B P2B C28B C33B -34.1(9) .
Cu1 P2B C28B C33B 88.4(9) .
C25B P2B C28B C29B 58.1(9) .
C34B P2B C28B C29B 164.9(8) .
Cu1 P2B C28B C29B -72.6(8) .
C34C P2C C28C C33C 91.7(7) .
C26C P2C C28C C33C -14.3(7) .
Cu3 P2C C28C C33C -139.9(6) .
C34C P2C C28C C29C -86.3(6) .
C26C P2C C28C C29C 167.7(6) .
Cu3 P2C C28C C29C 42.1(6) .
C34D P2D C28D C29D 179.6(6) .
C27D P2D C28D C29D 71.5(7) .
Cu4 P2D C28D C29D -59.6(6) .
C34D P2D C28D C33D 5.3(6) .
C27D P2D C28D C33D -102.7(6) .
Cu4 P2D C28D C33D 126.1(5) .
C33A C28A C29A C30A -3.8(13) .
P2A C28A C29A C30A -173.9(7) .
C33B C28B C29B C30B 18.3(14) .
P2B C28B C29B C30B -179.7(7) .
C33C C28C C29C C30C 2.0(12) .
P2C C28C C29C C30C -179.8(8) .
C33D C28D C29D C30D -1.1(11) .
P2D C28D C29D C30D -175.7(6) .
C28A C29A C30A C31A 0.8(15) .
C28B C29B C30B C31B -7.7(16) .
C28C C29C C30C C31C 0.2(15) .
C28D C29D C30D C31D 4.0(13) .
C29A C30A C31A C32A 0.0(16) .
C29B C30B C31B C32B -9.9(17) .
C29C C30C C31C C32C -1.3(16) .
C29D C30D C31D C32D -1.9(13) .
C30A C31A C32A C33A 2.3(17) .
C30B C31B C32B C33B 15.5(19) .
C30C C31C C32C C33C 0.1(16) .
C30D C31D C32D C33D -3.0(12) .
C29A C28A C33A C32A 6.1(14) .
P2A C28A C33A C32A 176.0(7) .
C31A C32A C33A C28A -5.4(16) .
C29B C28B C33B C32B -11.9(17) .
P2B C28B C33B C32B -175.0(10) .
C31B C32B C33B C28B -5(2) .
C31C C32C C33C C28C 2.4(14) .
C29C C28C C33C C32C -3.3(12) .
P2C C28C C33C C32C 178.6(7) .
C31D C32D C33D C28D 5.8(12) .
C29D C28D C33D C32D -3.6(10) .
P2D C28D C33D C32D 170.8(6) .
C26A P2A C34A C39A -14.8(7) .
C28A P2A C34A C39A 91.5(7) .
Cu2 P2A C34A C39A -137.9(6) .
C26A P2A C34A C35A 170.2(6) .
C28A P2A C34A C35A -83.4(6) .
Cu2 P2A C34A C35A 47.2(6) .
C25B P2B C34B C35B -158.6(7) .
C28B P2B C34B C35B 93.3(8) .
Cu1 P2B C34B C35B -35.3(8) .
C25B P2B C34B C39B 23.6(9) .
C28B P2B C34B C39B -84.5(8) .
Cu1 P2B C34B C39B 146.9(7) .
C28C P2C C34C C39C 175.8(8) .
C26C P2C C34C C39C -76.8(9) .
Cu3 P2C C34C C39C 54.6(9) .
C28C P2C C34C C35C -9.0(9) .
C26C P2C C34C C35C 98.4(8) .
Cu3 P2C C34C C35C -130.2(7) .
C28D P2D C34D C39D -89.6(8) .
C27D P2D C34D C39D 17.2(8) .
Cu4 P2D C34D C39D 140.7(7) .
C28D P2D C34D C35D 91.1(7) .
C27D P2D C34D C35D -162.0(6) .
Cu4 P2D C34D C35D -38.6(7) .
C39A C34A C35A C36A 4.3(12) .
P2A C34A C35A C36A 179.5(6) .
C39B C34B C35B C36B 2.3(14) .
P2B C34B C35B C36B -175.7(7) .
C39C C34C C35C C36C 1.9(16) .
P2C C34C C35C C36C -173.5(9) .
C39D C34D C35D C36D -0.2(13) .
P2D C34D C35D C36D 179.1(7) .
C34A C35A C36A C37A -3.3(13) .
C34B C35B C36B C37B -7.4(15) .
C34C C35C C36C C37C -2.6(18) .
C34D C35D C36D C37D -1.3(15) .
C35A C36A C37A C38A 4.4(15) .
C35B C36B C37B C38B 6.1(15) .
C35C C36C C37C C38C 3.0(19) .
C35D C36D C37D C38D 0.3(17) .
C36A C37A C38A C39A -6.8(16) .
C36B C37B C38B C39B -0.3(16) .
C36C C37C C38C C39C -2.6(18) .
C36D C37D C38D C39D 1.9(17) .
C35A C34A C39A C38A -6.2(11) .
P2A C34A C39A C38A 179.0(6) .
C37A C38A C39A C34A 7.5(13) .
C37B C38B C39B C34B -5.0(16) .
C35B C34B C39B C38B 3.9(14) .
P2B C34B C39B C38B -178.2(8) .
C37C C38C C39C C34C 1.8(18) .
C35C C34C C39C C38C -1.5(16) .
P2C C34C C39C C38C 173.9(9) .
C35D C34D C39D C38D 2.6(13) .
P2D C34D C39D C38D -176.6(7) .
C37D C38D C39D C34D -3.4(14) .
loop_
_publcif_info_datablock.id
_publcif_info_datablock.publ_exptl
_publcif_info_datablock.structure
{1c186a6b-23f9-466b-9ea8-5297dfc8b297} ? ?
{1c186a6b-23f9-466b-9ea8-5297dfc8b297} n y
loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max
loop_
_publcif_info_tables.block_id
_publcif_info_tables.reference_item
{1c186a6b-23f9-466b-9ea8-5297dfc8b297} '_publcif_info_datablock.publ_exptl'
loop_
_publcif_info_cif.paper_type
EX
