#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:00:22 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180164 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/60/7106044.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_7106044
loop_
_publ_author_name
'Daniel L. Reger'
'Jacob Horger'
'Mark D. Smith'
_publ_section_title
;
 Copper(II) carboxylate tetramers formed from an enantiopure ligand
 containing a p-stacking supramolecular synthon: single-crystal to
 single-crystal enantioselective ligand exchange
;
_journal_name_full               Chem.Commun.
_journal_page_first              2805
_journal_paper_doi               10.1039/c0cc04797j
_journal_volume                  47
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_moiety
'C134 H97 Cu4 N17 O41, C4 H10 O, 2(C H4 O), 3(C H2 Cl2)'
_chemical_formula_sum            'C143 H121 Cl6 Cu4 N17 O44'
_chemical_formula_weight         3248.43
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3235(5)
_cell_length_b                   21.9549(8)
_cell_length_c                   50.9472(18)
_cell_measurement_reflns_used    8473
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.950
_cell_measurement_theta_min      2.277
_cell_volume                     17140.0(10)
_computing_cell_refinement       'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection       'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics    various
_computing_publication_material  'SHELXTL Version 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_sigmaI/netI    0.0421
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       60
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_number            218466
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    0.660
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Version 2.05 (Bruker, 2001)'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             6672
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.316
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.044(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1932
_refine_ls_number_reflns         30385
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0613P)²+2.0459P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1038
_reflns_number_gt                26850
_reflns_number_total             30385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC04797J.TXT
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               7106044
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.95180(2) 0.430566(19) 0.304273(7) 0.02413(9) Uani 1 1 d . . .
Cu2 Cu 0.92221(2) 0.410011(18) 0.356134(7) 0.02310(9) Uani 1 1 d . . .
Cu3 Cu 0.54704(2) 0.541179(18) 0.462315(7) 0.02245(9) Uani 1 1 d . . .
Cu4 Cu 0.56691(2) 0.516345(17) 0.411332(7) 0.02102(9) Uani 1 1 d . . .
C1A C 0.6749(2) 0.42593(18) 0.27532(7) 0.0310(8) Uani 1 1 d . . .
C2A C 0.6621(2) 0.43125(19) 0.24628(7) 0.0365(9) Uani 1 1 d . . .
C3A C 0.6406(2) 0.48664(19) 0.23501(7) 0.0360(9) Uani 1 1 d . . .
C4A C 0.6308(2) 0.53862(19) 0.25032(7) 0.0363(9) Uani 1 1 d . . .
C5A C 0.6483(2) 0.53669(18) 0.27916(7) 0.0309(8) Uani 1 1 d . . .
C6A C 0.6727(3) 0.3798(2) 0.23118(8) 0.0499(11) Uani 1 1 d . . .
H6A H 0.6880 0.3421 0.2391 0.060 Uiso 1 1 calc R . .
C7A C 0.6605(3) 0.3835(3) 0.20371(9) 0.0600(13) Uani 1 1 d . . .
H7A H 0.6665 0.3481 0.1932 0.072 Uiso 1 1 calc R . .
C8A C 0.6403(3) 0.4375(3) 0.19243(9) 0.0663(15) Uani 1 1 d . . .
H8A H 0.6340 0.4393 0.1739 0.080 Uiso 1 1 calc R . .
C9A C 0.6283(3) 0.4911(2) 0.20723(8) 0.0476(11) Uani 1 1 d . . .
C10A C 0.6036(3) 0.5474(3) 0.19658(9) 0.0604(14) Uani 1 1 d . . .
H10A H 0.5947 0.5508 0.1782 0.072 Uiso 1 1 calc R . .
C11A C 0.5921(3) 0.5970(3) 0.21189(9) 0.0544(12) Uani 1 1 d . . .
H11A H 0.5752 0.6346 0.2042 0.065 Uiso 1 1 calc R . .
C12A C 0.6051(3) 0.5929(2) 0.23911(8) 0.0475(11) Uani 1 1 d . . .
H12A H 0.5962 0.6277 0.2499 0.057 Uiso 1 1 calc R . .
C13A C 0.6891(2) 0.47650(17) 0.31792(6) 0.0276(8) Uani 1 1 d . . .
H13A H 0.6815 0.5185 0.3252 0.033 Uiso 1 1 calc R . .
C14A C 0.6281(2) 0.43446(18) 0.33371(7) 0.0320(8) Uani 1 1 d . . .
H14A H 0.5677 0.4397 0.3272 0.038 Uiso 1 1 calc R . .
H14B H 0.6452 0.3916 0.3305 0.038 Uiso 1 1 calc R . .
C15A C 0.6290(2) 0.44620(16) 0.36313(7) 0.0274(8) Uani 1 1 d . . .
C16A C 0.7850(2) 0.45989(15) 0.32151(6) 0.0217(7) Uani 1 1 d . . .
N1A N 0.66648(18) 0.47957(14) 0.28991(5) 0.0279(6) Uani 1 1 d . . .
N2A N 0.65597(19) 0.40124(14) 0.37772(6) 0.0335(7) Uani 1 1 d . . .
H2A1 H 0.6553 0.4047 0.3949 0.040 Uiso 1 1 calc R . .
H2A2 H 0.6748 0.3674 0.3704 0.040 Uiso 1 1 calc R . .
O1A O 0.69383(16) 0.37856(12) 0.28579(5) 0.0351(6) Uani 1 1 d . . .
O2A O 0.6473(2) 0.58165(13) 0.29252(6) 0.0497(7) Uani 1 1 d . . .
O3A O 0.60132(15) 0.49544(11) 0.37159(4) 0.0291(5) Uani 1 1 d . . .
O4A O 0.83459(14) 0.46395(11) 0.30181(4) 0.0266(5) Uani 1 1 d . . .
O5A O 0.80598(14) 0.44417(11) 0.34419(4) 0.0283(5) Uani 1 1 d . . .
C1B C 0.9827(2) 0.21602(17) 0.30711(7) 0.0320(8) Uani 1 1 d . . .
C2B C 1.0401(2) 0.18392(18) 0.28843(7) 0.0355(9) Uani 1 1 d . . .
C3B C 1.0016(2) 0.15058(17) 0.26777(8) 0.0357(9) Uani 1 1 d . . .
C4B C 0.9116(2) 0.14939(18) 0.26412(8) 0.0375(9) Uani 1 1 d . . .
C5B C 0.8534(2) 0.18343(17) 0.28169(7) 0.0350(9) Uani 1 1 d . . .
C6B C 1.1281(3) 0.1867(2) 0.29133(9) 0.0475(11) Uani 1 1 d . . .
H6B H 1.1530 0.2095 0.3053 0.057 Uiso 1 1 calc R . .
C7B C 1.1830(3) 0.1551(2) 0.27326(10) 0.0583(13) Uani 1 1 d . . .
H7B H 1.2446 0.1574 0.2751 0.070 Uiso 1 1 calc R . .
C8B C 1.1483(3) 0.1223(2) 0.25362(9) 0.0520(11) Uani 1 1 d . . .
H8B H 1.1860 0.1011 0.2420 0.062 Uiso 1 1 calc R . .
C9B C 1.0562(3) 0.11837(18) 0.24982(8) 0.0418(9) Uani 1 1 d . . .
C10B C 1.0180(3) 0.08594(19) 0.22916(8) 0.0465(11) Uani 1 1 d . . .
H10B H 1.0540 0.0644 0.2171 0.056 Uiso 1 1 calc R . .
C11B C 0.9296(3) 0.08495(18) 0.22611(8) 0.0458(10) Uani 1 1 d . . .
H11B H 0.9046 0.0626 0.2120 0.055 Uiso 1 1 calc R . .
C12B C 0.8753(3) 0.11655(19) 0.24352(8) 0.0423(10) Uani 1 1 d . . .
H12B H 0.8138 0.1155 0.2413 0.051 Uiso 1 1 calc R . .
C13B C 0.8378(2) 0.25250(16) 0.31943(7) 0.0283(8) Uani 1 1 d . . .
H13B H 0.7812 0.2592 0.3101 0.034 Uiso 1 1 calc R . .
C14B C 0.8174(2) 0.21764(17) 0.34478(7) 0.0334(8) Uani 1 1 d . . .
H14C H 0.7982 0.1758 0.3403 0.040 Uiso 1 1 calc R . .
H14D H 0.8710 0.2145 0.3555 0.040 Uiso 1 1 calc R . .
C15B C 0.7466(2) 0.24920(17) 0.36056(7) 0.0294(8) Uani 1 1 d . . .
C16B C 0.8779(2) 0.31466(16) 0.32425(7) 0.0264(8) Uani 1 1 d . . .
N1B N 0.89416(17) 0.21661(13) 0.30176(6) 0.0276(6) Uani 1 1 d . . .
N2B N 0.7532(2) 0.24587(17) 0.38619(6) 0.0467(9) Uani 1 1 d . . .
H2B1 H 0.7136 0.2632 0.3962 0.056 Uiso 1 1 calc R . .
H2B2 H 0.7972 0.2263 0.3934 0.056 Uiso 1 1 calc R . .
O1B O 1.01071(16) 0.24219(13) 0.32657(5) 0.0392(6) Uani 1 1 d . . .
O2B O 0.77459(17) 0.18405(15) 0.27945(6) 0.0529(8) Uani 1 1 d . . .
O3B O 0.68620(16) 0.27612(13) 0.34960(5) 0.0390(6) Uani 1 1 d . . .
O4B O 0.90171(14) 0.34485(11) 0.30478(4) 0.0265(5) Uani 1 1 d . . .
O5B O 0.87930(15) 0.33130(11) 0.34790(5) 0.0295(5) Uani 1 1 d . . .
C1C C 1.2463(2) 0.45109(18) 0.30930(7) 0.0320(8) Uani 1 1 d . . .
C2C C 1.2998(2) 0.47199(18) 0.28653(7) 0.0353(9) Uani 1 1 d . . .
C3C C 1.3428(2) 0.42835(19) 0.27064(7) 0.0358(9) Uani 1 1 d . . .
C4C C 1.3357(2) 0.36628(18) 0.27587(7) 0.0316(8) Uani 1 1 d . . .
C5C C 1.2817(2) 0.34407(18) 0.29794(7) 0.0293(8) Uani 1 1 d . . .
C6C C 1.3080(3) 0.5329(2) 0.28128(9) 0.0482(11) Uani 1 1 d . . .
H6C H 1.2793 0.5619 0.2921 0.058 Uiso 1 1 calc R . .
C7C C 1.3584(3) 0.5527(2) 0.26008(10) 0.0596(13) Uani 1 1 d . . .
H7C H 1.3635 0.5950 0.2565 0.072 Uiso 1 1 calc R . .
C8C C 1.3999(3) 0.5116(3) 0.24464(10) 0.0615(13) Uani 1 1 d . . .
H8C H 1.4339 0.5260 0.2303 0.074 Uiso 1 1 calc R . .
C9C C 1.3945(3) 0.4484(2) 0.24902(8) 0.0474(11) Uani 1 1 d . . .
C10C C 1.4355(3) 0.4049(2) 0.23340(8) 0.0526(11) Uani 1 1 d . . .
H10C H 1.4686 0.4176 0.2186 0.063 Uiso 1 1 calc R . .
C11C C 1.4291(3) 0.3449(2) 0.23892(8) 0.0525(12) Uani 1 1 d . . .
H11C H 1.4584 0.3161 0.2282 0.063 Uiso 1 1 calc R . .
C12C C 1.3788(2) 0.3243(2) 0.26068(8) 0.0417(10) Uani 1 1 d . . .
H12C H 1.3752 0.2820 0.2646 0.050 Uiso 1 1 calc R . .
C13C C 1.1891(2) 0.36884(17) 0.33595(7) 0.0280(8) Uani 1 1 d . . .
H13C H 1.1926 0.3234 0.3363 0.034 Uiso 1 1 calc R . .
C14C C 1.2224(2) 0.39177(19) 0.36286(7) 0.0354(9) Uani 1 1 d . . .
H14E H 1.2070 0.4353 0.3649 0.042 Uiso 1 1 calc R . .
H14F H 1.1926 0.3688 0.3770 0.042 Uiso 1 1 calc R . .
C15C C 1.3189(2) 0.38451(18) 0.36583(7) 0.0340(9) Uani 1 1 d . . .
C16C C 1.0927(2) 0.38550(15) 0.33214(7) 0.0262(8) Uani 1 1 d . . .
N1C N 1.24230(17) 0.38939(13) 0.31390(6) 0.0273(6) Uani 1 1 d . . .
N2C N 1.3603(2) 0.43111(15) 0.37691(6) 0.0396(8) Uani 1 1 d . . .
H2C1 H 1.4171 0.4294 0.3794 0.048 Uiso 1 1 calc R . .
H2C2 H 1.3310 0.4637 0.3817 0.048 Uiso 1 1 calc R . .
O1C O 1.20527(16) 0.48639(12) 0.32291(5) 0.0360(6) Uani 1 1 d . . .
O2C O 1.27017(16) 0.29081(12) 0.30231(5) 0.0376(6) Uani 1 1 d . . .
O3C O 1.35587(17) 0.33788(13) 0.35869(6) 0.0474(7) Uani 1 1 d . . .
O4C O 1.06765(14) 0.39809(10) 0.30931(4) 0.0280(5) Uani 1 1 d . . .
O5C O 1.04689(15) 0.38410(11) 0.35255(4) 0.0291(5) Uani 1 1 d . . .
C1D C 0.8913(3) 0.63825(19) 0.33156(9) 0.0446(10) Uani 1 1 d . . .
C2D C 0.8590(3) 0.6858(2) 0.31390(10) 0.0560(13) Uani 1 1 d . . .
C3D C 0.9175(3) 0.72198(19) 0.29947(11) 0.0604(13) Uani 1 1 d . . .
C4D C 1.0083(3) 0.71808(19) 0.30404(10) 0.0563(12) Uani 1 1 d . . .
C5D C 1.0418(3) 0.67518(18) 0.32440(9) 0.0479(10) Uani 1 1 d . . .
C6D C 0.7696(4) 0.6913(2) 0.31018(13) 0.0753(17) Uani 1 1 d . . .
H6D H 0.7297 0.6669 0.3198 0.090 Uiso 1 1 calc R . .
C7D C 0.7398(5) 0.7346(3) 0.29144(16) 0.100(2) Uani 1 1 d . . .
H7D H 0.6789 0.7402 0.2890 0.120 Uiso 1 1 calc R . .
C8D C 0.7968(5) 0.7682(3) 0.27702(16) 0.104(3) Uani 1 1 d . . .
H8D H 0.7746 0.7960 0.2644 0.124 Uiso 1 1 calc R . .
C9D C 0.8865(4) 0.7629(2) 0.28017(13) 0.0800(18) Uani 1 1 d . . .
C10D C 0.9484(6) 0.7948(3) 0.26432(14) 0.100(2) Uani 1 1 d . . .
H10D H 0.9283 0.8200 0.2504 0.119 Uiso 1 1 calc R . .
C11D C 1.0338(5) 0.7897(2) 0.26863(13) 0.088(2) Uani 1 1 d . . .
H11D H 1.0738 0.8116 0.2580 0.106 Uiso 1 1 calc R . .
C12D C 1.0652(4) 0.7517(2) 0.28916(10) 0.0706(15) Uani 1 1 d . . .
H12D H 1.1261 0.7495 0.2926 0.085 Uiso 1 1 calc R . .
C13D C 1.0143(2) 0.58955(17) 0.35387(7) 0.0363(9) Uani 1 1 d . . .
H13D H 1.0795 0.5905 0.3531 0.044 Uiso 1 1 calc R . .
C14D C 0.9881(3) 0.60203(18) 0.38244(8) 0.0397(9) Uani 1 1 d . . .
H14G H 0.9236 0.6029 0.3837 0.048 Uiso 1 1 calc R . .
H14H H 1.0092 0.5681 0.3936 0.048 Uiso 1 1 calc R . .
C15D C 1.0239(3) 0.6613(2) 0.39303(9) 0.0418(10) Uani 1 1 d . . .
C16D C 0.9856(2) 0.52570(15) 0.34473(7) 0.0249(7) Uani 1 1 d . . .
N1D N 0.9824(2) 0.63581(14) 0.33551(6) 0.0380(8) Uani 1 1 d . . .
N2D N 1.0875(2) 0.65645(19) 0.41041(7) 0.0554(10) Uani 1 1 d . . .
H2D1 H 1.1111 0.6894 0.4172 0.067 Uiso 1 1 calc R . .
H2D2 H 1.1063 0.6202 0.4152 0.067 Uiso 1 1 calc R . .
O1D O 0.84510(18) 0.60194(14) 0.34238(6) 0.0503(8) Uani 1 1 d . . .
O2D O 1.1182(2) 0.67301(14) 0.33025(7) 0.0589(9) Uani 1 1 d . . .
O3D O 0.9949(2) 0.71016(14) 0.38559(7) 0.0583(8) Uani 1 1 d . . .
O4D O 0.99010(15) 0.51213(11) 0.32131(5) 0.0292(5) Uani 1 1 d . . .
O5D O 0.96236(15) 0.49126(10) 0.36344(4) 0.0275(5) Uani 1 1 d . . .
C1E C 0.7189(2) 0.37737(17) 0.48802(7) 0.0291(8) Uani 1 1 d . . .
C2E C 0.7201(3) 0.34537(18) 0.51348(7) 0.0368(9) Uani 1 1 d . . .
C3E C 0.7878(3) 0.35737(17) 0.53182(7) 0.0336(9) Uani 1 1 d . . .
C4E C 0.8535(3) 0.40027(18) 0.52599(7) 0.0371(9) Uani 1 1 d . . .
C5E C 0.8540(2) 0.43268(18) 0.50058(7) 0.0319(8) Uani 1 1 d . . .
C6E C 0.6565(3) 0.3038(2) 0.51953(8) 0.0455(10) Uani 1 1 d . . .
H6E H 0.6112 0.2960 0.5072 0.055 Uiso 1 1 calc R . .
C7E C 0.6571(3) 0.2728(2) 0.54336(10) 0.0595(13) Uani 1 1 d . . .
H7E H 0.6124 0.2442 0.5473 0.071 Uiso 1 1 calc R . .
C8E C 0.7225(4) 0.2837(2) 0.56097(9) 0.0646(14) Uani 1 1 d . . .
H8E H 0.7229 0.2619 0.5771 0.078 Uiso 1 1 calc R . .
C9E C 0.7891(3) 0.3261(2) 0.55608(8) 0.0484(11) Uani 1 1 d . . .
C10E C 0.8571(4) 0.3390(2) 0.57370(9) 0.0593(14) Uani 1 1 d . . .
H10E H 0.8589 0.3186 0.5901 0.071 Uiso 1 1 calc R . .
C11E C 0.9205(3) 0.3803(2) 0.56774(8) 0.0556(12) Uani 1 1 d . . .
H11E H 0.9660 0.3878 0.5800 0.067 Uiso 1 1 calc R . .
C12E C 0.9196(3) 0.4116(2) 0.54403(8) 0.0500(11) Uani 1 1 d . . .
H12E H 0.9639 0.4405 0.5402 0.060 Uiso 1 1 calc R . .
C13E C 0.7856(2) 0.44950(16) 0.45753(6) 0.0249(7) Uani 1 1 d . . .
H13E H 0.8291 0.4834 0.4582 0.030 Uiso 1 1 calc R . .
C14E C 0.8164(2) 0.40433(16) 0.43624(6) 0.0249(7) Uani 1 1 d . . .
H14I H 0.8621 0.3782 0.4441 0.030 Uiso 1 1 calc R . .
H14J H 0.7665 0.3775 0.4319 0.030 Uiso 1 1 calc R . .
C15E C 0.8518(2) 0.42966(16) 0.41089(7) 0.0261(7) Uani 1 1 d . . .
C16E C 0.6963(2) 0.47784(15) 0.45202(6) 0.0234(7) Uani 1 1 d . . .
N1E N 0.78577(17) 0.41938(13) 0.48349(5) 0.0267(6) Uani 1 1 d . . .
N2E N 0.8430(2) 0.48693(15) 0.40526(6) 0.0414(8) Uani 1 1 d . . .
H2E1 H 0.8644 0.5014 0.3905 0.050 Uiso 1 1 calc R . .
H2E2 H 0.8156 0.5113 0.4162 0.050 Uiso 1 1 calc R . .
O1E O 0.66454(15) 0.36820(12) 0.47117(5) 0.0318(6) Uani 1 1 d . . .
O2E O 0.90954(17) 0.47002(13) 0.49460(5) 0.0409(6) Uani 1 1 d . . .
O3E O 0.88990(16) 0.39308(11) 0.39614(4) 0.0298(5) Uani 1 1 d . . .
O4E O 0.65715(14) 0.50139(10) 0.47090(4) 0.0255(5) Uani 1 1 d . . .
O5E O 0.67227(13) 0.47754(10) 0.42834(4) 0.0238(5) Uani 1 1 d . . .
C1F C 0.3221(2) 0.38035(16) 0.45953(7) 0.0284(8) Uani 1 1 d . . .
C2F C 0.2506(2) 0.37061(18) 0.47898(7) 0.0352(9) Uani 1 1 d . . .
C3F C 0.2633(3) 0.33015(17) 0.50010(7) 0.0350(9) Uani 1 1 d . . .
C4F C 0.3419(2) 0.29935(16) 0.50371(7) 0.0316(8) Uani 1 1 d . . .
C5F C 0.4136(2) 0.30628(16) 0.48440(7) 0.0302(8) Uani 1 1 d . . .
C6F C 0.1732(3) 0.4000(2) 0.47564(9) 0.0526(12) Uani 1 1 d . . .
H6F H 0.1664 0.4280 0.4616 0.063 Uiso 1 1 calc R . .
C7F C 0.1039(3) 0.3893(3) 0.49271(10) 0.0631(14) Uani 1 1 d . . .
H7F H 0.0500 0.4099 0.4902 0.076 Uiso 1 1 calc R . .
C8F C 0.1131(3) 0.3491(3) 0.51303(10) 0.0636(14) Uani 1 1 d . . .
H8F H 0.0644 0.3408 0.5240 0.076 Uiso 1 1 calc R . .
C9F C 0.1927(3) 0.31988(19) 0.51800(8) 0.0460(11) Uani 1 1 d . . .
C10F C 0.2063(4) 0.2805(2) 0.53923(9) 0.0556(13) Uani 1 1 d . . .
H10F H 0.1598 0.2725 0.5511 0.067 Uiso 1 1 calc R . .
C11F C 0.2854(4) 0.25349(19) 0.54314(8) 0.0517(12) Uani 1 1 d . . .
H11F H 0.2944 0.2286 0.5581 0.062 Uiso 1 1 calc R . .
C12F C 0.3528(3) 0.26225(18) 0.52527(7) 0.0450(10) Uani 1 1 d . . .
H12F H 0.4072 0.2424 0.5280 0.054 Uiso 1 1 calc R . .
C13F C 0.4705(2) 0.35657(15) 0.44531(6) 0.0248(7) Uani 1 1 d . . .
H13F H 0.5243 0.3397 0.4537 0.030 Uiso 1 1 calc R . .
C14F C 0.4528(2) 0.31692(15) 0.42126(7) 0.0283(7) Uani 1 1 d . . .
H14K H 0.4262 0.2782 0.4272 0.034 Uiso 1 1 calc R . .
H14L H 0.4098 0.3379 0.4100 0.034 Uiso 1 1 calc R . .
C15F C 0.5329(2) 0.30247(15) 0.40502(6) 0.0250(7) Uani 1 1 d . . .
C16F C 0.48990(19) 0.42318(16) 0.43957(6) 0.0243(7) Uani 1 1 d . . .
N1F N 0.40083(17) 0.34961(12) 0.46452(5) 0.0244(6) Uani 1 1 d . . .
N2F N 0.51918(19) 0.29283(15) 0.37946(6) 0.0357(7) Uani 1 1 d . . .
H2F1 H 0.5627 0.2816 0.3693 0.043 Uiso 1 1 calc R . .
H2F2 H 0.4666 0.2977 0.3728 0.043 Uiso 1 1 calc R . .
O1F O 0.31550(15) 0.41134(12) 0.44045(5) 0.0351(6) Uani 1 1 d . . .
O2F O 0.47940(17) 0.27589(13) 0.48522(5) 0.0425(7) Uani 1 1 d . . .
O3F O 0.60526(15) 0.29639(12) 0.41546(5) 0.0331(6) Uani 1 1 d . . .
O4F O 0.49051(14) 0.45867(10) 0.45894(4) 0.0251(5) Uani 1 1 d . . .
O5F O 0.50995(13) 0.43694(10) 0.41620(4) 0.0232(5) Uani 1 1 d . . .
C1G C 0.4282(2) 0.72529(16) 0.42806(7) 0.0293(8) Uani 1 1 d . . .
C2G C 0.4327(2) 0.78791(16) 0.43885(7) 0.0306(8) Uani 1 1 d . . .
C3G C 0.3607(2) 0.81138(16) 0.45373(7) 0.0314(8) Uani 1 1 d . . .
C4G C 0.2861(2) 0.77560(17) 0.45769(7) 0.0314(8) Uani 1 1 d . . .
C5G C 0.2807(2) 0.71312(17) 0.44725(7) 0.0304(8) Uani 1 1 d . . .
C6G C 0.5051(3) 0.82292(17) 0.43500(8) 0.0369(9) Uani 1 1 d . . .
H6G H 0.5526 0.8074 0.4251 0.044 Uiso 1 1 calc R . .
C7G C 0.5099(3) 0.88193(19) 0.44565(8) 0.0435(10) Uani 1 1 d . . .
H7G H 0.5604 0.9061 0.4428 0.052 Uiso 1 1 calc R . .
C8G C 0.4419(3) 0.90472(18) 0.46010(8) 0.0469(10) Uani 1 1 d . . .
H8G H 0.4462 0.9445 0.4673 0.056 Uiso 1 1 calc R . .
C9G C 0.3661(3) 0.87029(18) 0.46438(7) 0.0372(9) Uani 1 1 d . . .
C10G C 0.2933(3) 0.89246(19) 0.47925(8) 0.0438(10) Uani 1 1 d . . .
H10G H 0.2953 0.9321 0.4867 0.053 Uiso 1 1 calc R . .
C11G C 0.2216(3) 0.8573(2) 0.48269(8) 0.0469(11) Uani 1 1 d . . .
H11G H 0.1736 0.8728 0.4924 0.056 Uiso 1 1 calc R . .
C12G C 0.2171(3) 0.79823(19) 0.47208(7) 0.0400(9) Uani 1 1 d . . .
H12G H 0.1665 0.7740 0.4748 0.048 Uiso 1 1 calc R . .
C13G C 0.3441(2) 0.63117(15) 0.42038(7) 0.0270(8) Uani 1 1 d . . .
H13G H 0.2921 0.6110 0.4284 0.032 Uiso 1 1 calc R . .
C14G C 0.3235(2) 0.63969(16) 0.39149(7) 0.0305(8) Uani 1 1 d . . .
H14M H 0.3776 0.6512 0.3821 0.037 Uiso 1 1 calc R . .
H14N H 0.2813 0.6735 0.3895 0.037 Uiso 1 1 calc R . .
C15G C 0.2859(2) 0.58260(19) 0.37907(8) 0.0373(9) Uani 1 1 d . . .
C16G C 0.4234(2) 0.58946(15) 0.42598(6) 0.0245(7) Uani 1 1 d . . .
N1G N 0.35320(17) 0.69120(13) 0.43331(5) 0.0254(6) Uani 1 1 d . . .
N2G N 0.2854(3) 0.58239(19) 0.35354(8) 0.0688(12) Uani 1 1 d . . .
H2G1 H 0.2632 0.5512 0.3450 0.083 Uiso 1 1 calc R . .
H2G2 H 0.3071 0.6135 0.3448 0.083 Uiso 1 1 calc R . .
O1G O 0.48664(15) 0.70314(11) 0.41488(5) 0.0323(6) Uani 1 1 d . . .
O2G O 0.21694(16) 0.68063(13) 0.45028(5) 0.0413(7) Uani 1 1 d . . .
O3G O 0.25653(18) 0.54069(13) 0.39172(6) 0.0479(7) Uani 1 1 d . . .
O4G O 0.44502(14) 0.58566(10) 0.44973(4) 0.0262(5) Uani 1 1 d . . .
O5G O 0.45422(14) 0.56064(10) 0.40720(4) 0.0263(5) Uani 1 1 d . . .
C1H C 0.8236(2) 0.64067(17) 0.44603(7) 0.0313(8) Uani 1 1 d . . .
C2H C 0.9042(2) 0.64626(17) 0.46169(7) 0.0315(8) Uani 1 1 d . . .
C3H C 0.9201(2) 0.70072(17) 0.47606(7) 0.0334(8) Uani 1 1 d . . .
C4H C 0.8577(3) 0.74733(18) 0.47623(7) 0.0368(9) Uani 1 1 d . . .
C5H C 0.7757(2) 0.74240(17) 0.46146(8) 0.0361(9) Uani 1 1 d . . .
C6H C 0.9648(2) 0.60036(18) 0.46177(8) 0.0387(9) Uani 1 1 d . . .
H6H H 0.9539 0.5642 0.4521 0.046 Uiso 1 1 calc R . .
C7H C 1.0421(3) 0.6063(2) 0.47591(8) 0.0479(11) Uani 1 1 d . . .
H7H H 1.0835 0.5741 0.4757 0.057 Uiso 1 1 calc R . .
C8H C 1.0592(3) 0.6577(2) 0.49001(8) 0.0458(10) Uani 1 1 d . . .
H8H H 1.1121 0.6608 0.4996 0.055 Uiso 1 1 calc R . .
C9H C 0.9986(2) 0.7066(2) 0.49048(8) 0.0430(10) Uani 1 1 d . . .
C10H C 1.0126(3) 0.7605(2) 0.50482(8) 0.0516(12) Uani 1 1 d . . .
H10H H 1.0648 0.7652 0.5147 0.062 Uiso 1 1 calc R . .
C11H C 0.9516(3) 0.8063(2) 0.50473(8) 0.0511(12) Uani 1 1 d . . .
H11H H 0.9622 0.8425 0.5144 0.061 Uiso 1 1 calc R . .
C12H C 0.8744(3) 0.80015(19) 0.49057(8) 0.0468(11) Uani 1 1 d . . .
H12H H 0.8328 0.8322 0.4907 0.056 Uiso 1 1 calc R . .
C13H C 0.6916(2) 0.68530(17) 0.42763(8) 0.0344(9) Uani 1 1 d . . .
H13H H 0.6507 0.7190 0.4324 0.041 Uiso 1 1 calc R . .
C14H C 0.7191(3) 0.69601(18) 0.39890(8) 0.0393(9) Uani 1 1 d . . .
H14O H 0.7675 0.6681 0.3942 0.047 Uiso 1 1 calc R . .
H14P H 0.6694 0.6874 0.3871 0.047 Uiso 1 1 calc R . .
C15H C 0.7483(3) 0.76137(19) 0.39548(9) 0.0426(10) Uani 1 1 d . . .
C16H C 0.6416(2) 0.62573(16) 0.43154(7) 0.0286(8) Uani 1 1 d . . .
N1H N 0.76612(18) 0.68946(13) 0.44575(6) 0.0299(7) Uani 1 1 d . . .
N2H N 0.8305(2) 0.77179(17) 0.39152(8) 0.0555(10) Uani 1 1 d . . .
H2H1 H 0.8491 0.8094 0.3893 0.067 Uiso 1 1 calc R . .
H2H2 H 0.8677 0.7413 0.3910 0.067 Uiso 1 1 calc R . .
O1H O 0.80692(16) 0.59541(12) 0.43324(5) 0.0369(6) Uani 1 1 d . . .
O2H O 0.71797(19) 0.78042(13) 0.46161(6) 0.0516(8) Uani 1 1 d . . .
O3H O 0.6921(2) 0.80224(15) 0.39644(7) 0.0628(9) Uani 1 1 d . . .
O4H O 0.61741(15) 0.61430(11) 0.45457(5) 0.0288(5) Uani 1 1 d . . .
O5H O 0.62569(14) 0.59482(11) 0.41131(5) 0.0298(5) Uani 1 1 d . . .
C21 C 0.9030(3) 0.4441(2) 0.24698(8) 0.0494(11) Uani 1 1 d . . .
H21 H 0.8466 0.4385 0.2543 0.059 Uiso 1 1 calc R . .
C22 C 0.9093(4) 0.4554(3) 0.22075(9) 0.0822(18) Uani 1 1 d . . .
H22 H 0.8584 0.4568 0.2101 0.099 Uiso 1 1 calc R . .
C23 C 0.9901(5) 0.4647(3) 0.21001(10) 0.088(2) Uani 1 1 d . . .
H23 H 0.9960 0.4742 0.1919 0.105 Uiso 1 1 calc R . .
C24 C 1.0627(4) 0.4601(2) 0.22582(10) 0.0708(15) Uani 1 1 d . . .
H24 H 1.1197 0.4654 0.2188 0.085 Uiso 1 1 calc R . .
C25 C 1.0501(3) 0.4475(2) 0.25225(8) 0.0494(11) Uani 1 1 d . . .
H25 H 1.0999 0.4436 0.2632 0.059 Uiso 1 1 calc R . .
N3 N 0.97149(19) 0.44049(14) 0.26285(6) 0.0334(7) Uani 1 1 d . . .
C26 C 0.5423(4) 0.4978(3) 0.52014(9) 0.0818(18) Uani 1 1 d . . .
H26A H 0.5247 0.4585 0.5127 0.123 Uiso 1 1 calc R . .
H26B H 0.5165 0.5026 0.5376 0.123 Uiso 1 1 calc R . .
H26C H 0.6061 0.4993 0.5215 0.123 Uiso 1 1 calc R . .
O6 O 0.51288(17) 0.54578(13) 0.50346(5) 0.0396(6) Uani 1 1 d . . .
H6M H 0.4603 0.5490 0.5073 0.059 Uiso 1 1 d R . .
C27 C 0.2808(4) 0.5417(3) 0.48900(15) 0.097(2) Uani 1 1 d . . .
H27A H 0.2263 0.5230 0.4951 0.146 Uiso 1 1 calc R . .
H27B H 0.3074 0.5159 0.4755 0.146 Uiso 1 1 calc R . .
H27C H 0.2683 0.5820 0.4816 0.146 Uiso 1 1 calc R . .
O7 O 0.3402(2) 0.5479(2) 0.51086(9) 0.0945(14) Uani 1 1 d . . .
H7M H 0.3545 0.5125 0.5161 0.142 Uiso 1 1 d R . .
C28 C 0.0851(3) 0.4635(3) 0.41887(10) 0.0715(15) Uani 1 1 d . . .
H28A H 0.1247 0.4291 0.4216 0.107 Uiso 1 1 calc R . .
H28B H 0.0716 0.4672 0.4001 0.107 Uiso 1 1 calc R . .
H28C H 0.0310 0.4567 0.4287 0.107 Uiso 1 1 calc R . .
O8 O 0.1250(2) 0.51723(18) 0.42766(7) 0.0673(10) Uani 1 1 d . . .
H8M H 0.1648 0.5347 0.4192 0.101 Uiso 1 1 d R . .
C1S C 0.5909(3) 0.2491(2) 0.29492(8) 0.0462(10) Uani 1 1 d . . .
H1S1 H 0.6258 0.2194 0.3051 0.055 Uiso 1 1 calc R . .
H1S2 H 0.6275 0.2856 0.2919 0.055 Uiso 1 1 calc R . .
Cl1 Cl 0.56251(9) 0.21702(7) 0.26451(2) 0.0711(4) Uani 1 1 d . . .
Cl2 Cl 0.49866(8) 0.26975(8) 0.31309(2) 0.0735(4) Uani 1 1 d . . .
C2S C 0.6328(5) 0.6988(3) 0.63179(12) 0.092(2) Uani 1 1 d . . .
H2S1 H 0.5698 0.6940 0.6281 0.110 Uiso 1 1 calc R . .
H2S2 H 0.6417 0.7395 0.6397 0.110 Uiso 1 1 calc R . .
Cl3 Cl 0.66600(13) 0.64213(10) 0.65432(4) 0.1076(6) Uani 1 1 d . . .
Cl4 Cl 0.69184(11) 0.69412(7) 0.60221(3) 0.0841(4) Uani 1 1 d . . .
C3S C 1.0164(5) 0.6806(5) 0.63519(13) 0.128(3) Uani 1 1 d . . .
H3S1 H 1.0397 0.7204 0.6293 0.154 Uiso 1 1 calc R . .
H3S2 H 1.0349 0.6495 0.6223 0.154 Uiso 1 1 calc R . .
Cl5 Cl 0.90366(11) 0.68420(9) 0.63546(3) 0.0956(5) Uani 1 1 d . . .
Cl6 Cl 1.06099(16) 0.66294(12) 0.66557(3) 0.1308(8) Uani 1 1 d . . .
C29 C 0.4714(7) 0.6332(5) 0.56904(14) 0.162(5) Uani 1 1 d D . .
H29D H 0.4116 0.6460 0.5651 0.243 Uiso 1 1 calc R . .
H29E H 0.4970 0.6136 0.5536 0.243 Uiso 1 1 calc R . .
H29F H 0.5064 0.6689 0.5738 0.243 Uiso 1 1 calc R . .
C30 C 0.4704(6) 0.5881(3) 0.59202(16) 0.131(3) Uani 1 1 d D . .
H30C H 0.4332 0.5526 0.5877 0.158 Uiso 1 1 calc R . .
H30D H 0.5303 0.5733 0.5956 0.158 Uiso 1 1 calc R . .
C31 C 0.4300(6) 0.5842(4) 0.63762(17) 0.137(3) Uani 1 1 d D . .
H31C H 0.4882 0.5689 0.6429 0.164 Uiso 1 1 calc R . .
H31D H 0.3910 0.5489 0.6348 0.164 Uiso 1 1 calc R . .
C32 C 0.3915(7) 0.6273(5) 0.65972(17) 0.158(4) Uani 1 1 d D . .
H32D H 0.4343 0.6589 0.6641 0.237 Uiso 1 1 calc R . .
H32E H 0.3784 0.6032 0.6754 0.237 Uiso 1 1 calc R . .
H32F H 0.3378 0.6466 0.6533 0.237 Uiso 1 1 calc R . .
O10 O 0.4368(3) 0.61893(17) 0.61426(8) 0.0892(12) Uani 1 1 d D . .
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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
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
O4C Cu1 O4A 176.06(9) . . ?
O4C Cu1 O4B 90.20(9) . . ?
O4A Cu1 O4B 90.06(9) . . ?
O4C Cu1 O4D 90.18(9) . . ?
O4A Cu1 O4D 87.87(9) . . ?
O4B Cu1 O4D 154.24(9) . . ?
O4C Cu1 N3 92.23(10) . . ?
O4A Cu1 N3 91.61(10) . . ?
O4B Cu1 N3 99.20(10) . . ?
O4D Cu1 N3 106.52(11) . . ?
O4C Cu1 Cu2 87.87(7) . . ?
O4A Cu1 Cu2 88.36(7) . . ?
O4B Cu1 Cu2 76.75(6) . . ?
O4D Cu1 Cu2 77.52(7) . . ?
N3 Cu1 Cu2 175.96(8) . . ?
O5B Cu2 O5D 177.61(10) . . ?
O5B Cu2 O5C 92.97(10) . . ?
O5D Cu2 O5C 88.62(10) . . ?
O5B Cu2 O5A 88.06(10) . . ?
O5D Cu2 O5A 89.77(10) . . ?
O5C Cu2 O5A 156.47(9) . . ?
O5B Cu2 O3E 88.40(10) . . ?
O5D Cu2 O3E 92.92(9) . . ?
O5C Cu2 O3E 105.04(9) . . ?
O5A Cu2 O3E 98.49(9) . . ?
O5B Cu2 Cu1 89.66(7) . . ?
O5D Cu2 Cu1 88.90(7) . . ?
O5C Cu2 Cu1 78.43(7) . . ?
O5A Cu2 Cu1 78.07(6) . . ?
O3E Cu2 Cu1 176.11(7) . . ?
O4E Cu3 O4G 172.36(10) . . ?
O4E Cu3 O4H 86.35(10) . . ?
O4G Cu3 O4H 87.99(10) . . ?
O4E Cu3 O4F 89.33(9) . . ?
O4G Cu3 O4F 94.45(9) . . ?
O4H Cu3 O4F 161.60(9) . . ?
O4E Cu3 O6 90.74(10) . . ?
O4G Cu3 O6 95.81(9) . . ?
O4H Cu3 O6 106.73(10) . . ?
O4F Cu3 O6 91.19(10) . . ?
O4E Cu3 Cu4 91.61(6) . . ?
O4G Cu3 Cu4 82.76(6) . . ?
O4H Cu3 Cu4 84.80(7) . . ?
O4F Cu3 Cu4 77.44(6) . . ?
O6 Cu3 Cu4 168.36(8) . . ?
O5H Cu4 O5F 172.71(10) . . ?
O5H Cu4 O5G 88.22(10) . . ?
O5F Cu4 O5G 93.52(9) . . ?
O5H Cu4 O5E 90.21(9) . . ?
O5F Cu4 O5E 85.79(9) . . ?
O5G Cu4 O5E 160.61(9) . . ?
O5H Cu4 O3A 94.32(10) . . ?
O5F Cu4 O3A 92.21(9) . . ?
O5G Cu4 O3A 102.59(9) . . ?
O5E Cu4 O3A 96.80(9) . . ?
O5H Cu4 Cu3 82.68(7) . . ?
O5F Cu4 Cu3 90.44(6) . . ?
O5G Cu4 Cu3 84.51(6) . . ?
O5E Cu4 Cu3 76.12(6) . . ?
O3A Cu4 Cu3 172.24(7) . . ?
O1A C1A N1A 120.9(3) . . ?
O1A C1A C2A 122.5(4) . . ?
N1A C1A C2A 116.6(3) . . ?
C6A C2A C3A 121.1(4) . . ?
C6A C2A C1A 118.2(4) . . ?
C3A C2A C1A 120.6(3) . . ?
C2A C3A C4A 120.9(3) . . ?
C2A C3A C9A 120.1(4) . . ?
C4A C3A C9A 119.0(4) . . ?
C12A C4A C3A 120.5(4) . . ?
C12A C4A C5A 118.9(4) . . ?
C3A C4A C5A 120.6(3) . . ?
O2A C5A N1A 121.3(3) . . ?
O2A C5A C4A 122.2(4) . . ?
N1A C5A C4A 116.5(3) . . ?
C2A C6A C7A 119.3(5) . . ?
C2A C6A H6A 120.3 . . ?
C7A C6A H6A 120.3 . . ?
C8A C7A C6A 120.1(5) . . ?
C8A C7A H7A 119.9 . . ?
C6A C7A H7A 119.9 . . ?
C7A C8A C9A 122.2(4) . . ?
C7A C8A H8A 118.9 . . ?
C9A C8A H8A 118.9 . . ?
C10A C9A C8A 124.3(4) . . ?
C10A C9A C3A 118.5(4) . . ?
C8A C9A C3A 117.1(4) . . ?
C11A C10A C9A 121.5(4) . . ?
C11A C10A H10A 119.3 . . ?
C9A C10A H10A 119.3 . . ?
C10A C11A C12A 120.0(5) . . ?
C10A C11A H11A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C4A C12A C11A 120.3(5) . . ?
C4A C12A H12A 119.8 . . ?
C11A C12A H12A 119.8 . . ?
N1A C13A C16A 110.8(3) . . ?
N1A C13A C14A 113.0(3) . . ?
C16A C13A C14A 112.3(3) . . ?
N1A C13A H13A 106.8 . . ?
C16A C13A H13A 106.8 . . ?
C14A C13A H13A 106.8 . . ?
C15A C14A C13A 114.0(3) . . ?
C15A C14A H14A 108.7 . . ?
C13A C14A H14A 108.7 . . ?
C15A C14A H14B 108.7 . . ?
C13A C14A H14B 108.7 . . ?
H14A C14A H14B 107.6 . . ?
O3A C15A N2A 124.8(3) . . ?
O3A C15A C14A 119.2(3) . . ?
N2A C15A C14A 115.9(3) . . ?
O5A C16A O4A 126.9(3) . . ?
O5A C16A C13A 115.2(3) . . ?
O4A C16A C13A 117.9(3) . . ?
C5A N1A C1A 124.5(3) . . ?
C5A N1A C13A 118.0(3) . . ?
C1A N1A C13A 117.1(3) . . ?
C15A N2A H2A1 120.0 . . ?
C15A N2A H2A2 120.0 . . ?
H2A1 N2A H2A2 120.0 . . ?
C15A O3A Cu4 126.9(2) . . ?
C16A O4A Cu1 118.6(2) . . ?
C16A O5A Cu2 127.4(2) . . ?
O1B C1B N1B 119.9(3) . . ?
O1B C1B C2B 122.6(3) . . ?
N1B C1B C2B 117.5(3) . . ?
C6B C2B C3B 121.3(3) . . ?
C6B C2B C1B 120.0(4) . . ?
C3B C2B C1B 118.7(3) . . ?
C4B C3B C2B 121.6(3) . . ?
C4B C3B C9B 119.1(4) . . ?
C2B C3B C9B 119.3(3) . . ?
C12B C4B C3B 120.5(4) . . ?
C12B C4B C5B 118.8(4) . . ?
C3B C4B C5B 120.7(4) . . ?
O2B C5B N1B 120.4(3) . . ?
O2B C5B C4B 123.6(3) . . ?
N1B C5B C4B 116.0(3) . . ?
C2B C6B C7B 119.6(4) . . ?
C2B C6B H6B 120.2 . . ?
C7B C6B H6B 120.2 . . ?
C8B C7B C6B 120.5(4) . . ?
C8B C7B H7B 119.8 . . ?
C6B C7B H7B 119.8 . . ?
C7B C8B C9B 121.7(4) . . ?
C7B C8B H8B 119.2 . . ?
C9B C8B H8B 119.2 . . ?
C10B C9B C8B 123.1(4) . . ?
C10B C9B C3B 119.3(4) . . ?
C8B C9B C3B 117.6(4) . . ?
C11B C10B C9B 120.6(4) . . ?
C11B C10B H10B 119.7 . . ?
C9B C10B H10B 119.7 . . ?
C10B C11B C12B 120.7(4) . . ?
C10B C11B H11B 119.7 . . ?
C12B C11B H11B 119.7 . . ?
C4B C12B C11B 119.8(4) . . ?
C4B C12B H12B 120.1 . . ?
C11B C12B H12B 120.1 . . ?
N1B C13B C16B 110.1(3) . . ?
N1B C13B C14B 111.5(3) . . ?
C16B C13B C14B 113.3(3) . . ?
N1B C13B H13B 107.2 . . ?
C16B C13B H13B 107.2 . . ?
C14B C13B H13B 107.2 . . ?
C15B C14B C13B 111.4(3) . . ?
C15B C14B H14C 109.4 . . ?
C13B C14B H14C 109.4 . . ?
C15B C14B H14D 109.4 . . ?
C13B C14B H14D 109.4 . . ?
H14C C14B H14D 108.0 . . ?
O3B C15B N2B 122.4(3) . . ?
O3B C15B C14B 121.1(3) . . ?
N2B C15B C14B 116.6(3) . . ?
O4B C16B O5B 127.0(3) . . ?
O4B C16B C13B 117.9(3) . . ?
O5B C16B C13B 115.0(3) . . ?
C1B N1B C5B 125.1(3) . . ?
C1B N1B C13B 117.3(3) . . ?
C5B N1B C13B 117.5(3) . . ?
C15B N2B H2B1 120.0 . . ?
C15B N2B H2B2 120.0 . . ?
H2B1 N2B H2B2 120.0 . . ?
C16B O4B Cu1 127.8(2) . . ?
C16B O5B Cu2 118.8(2) . . ?
O1C C1C N1C 120.5(3) . . ?
O1C C1C C2C 122.1(4) . . ?
N1C C1C C2C 117.3(3) . . ?
C6C C2C C3C 120.4(4) . . ?
C6C C2C C1C 120.2(4) . . ?
C3C C2C C1C 119.4(3) . . ?
C4C C3C C2C 121.1(3) . . ?
C4C C3C C9C 119.5(4) . . ?
C2C C3C C9C 119.4(4) . . ?
C12C C4C C3C 120.8(3) . . ?
C12C C4C C5C 118.4(4) . . ?
C3C C4C C5C 120.8(3) . . ?
O2C C5C N1C 120.8(3) . . ?
O2C C5C C4C 122.9(3) . . ?
N1C C5C C4C 116.3(3) . . ?
C2C C6C C7C 120.4(4) . . ?
C2C C6C H6C 119.8 . . ?
C7C C6C H6C 119.8 . . ?
C8C C7C C6C 120.1(5) . . ?
C8C C7C H7C 119.9 . . ?
C6C C7C H7C 119.9 . . ?
C7C C8C C9C 122.4(4) . . ?
C7C C8C H8C 118.8 . . ?
C9C C8C H8C 118.8 . . ?
C10C C9C C8C 124.0(4) . . ?
C10C C9C C3C 118.7(4) . . ?
C8C C9C C3C 117.3(4) . . ?
C11C C10C C9C 121.1(4) . . ?
C11C C10C H10C 119.4 . . ?
C9C C10C H10C 119.4 . . ?
C10C C11C C12C 120.8(4) . . ?
C10C C11C H11C 119.6 . . ?
C12C C11C H11C 119.6 . . ?
C4C C12C C11C 119.0(4) . . ?
C4C C12C H12C 120.5 . . ?
C11C C12C H12C 120.5 . . ?
N1C C13C C16C 111.5(3) . . ?
N1C C13C C14C 113.4(3) . . ?
C16C C13C C14C 110.6(3) . . ?
N1C C13C H13C 107.0 . . ?
C16C C13C H13C 107.0 . . ?
C14C C13C H13C 107.0 . . ?
C15C C14C C13C 112.4(3) . . ?
C15C C14C H14E 109.1 . . ?
C13C C14C H14E 109.1 . . ?
C15C C14C H14F 109.1 . . ?
C13C C14C H14F 109.1 . . ?
H14E C14C H14F 107.9 . . ?
O3C C15C N2C 123.2(3) . . ?
O3C C15C C14C 121.1(4) . . ?
N2C C15C C14C 115.7(3) . . ?
O5C C16C O4C 127.0(3) . . ?
O5C C16C C13C 115.3(3) . . ?
O4C C16C C13C 117.7(3) . . ?
C1C N1C C5C 125.0(3) . . ?
C1C N1C C13C 117.4(3) . . ?
C5C N1C C13C 117.5(3) . . ?
C15C N2C H2C1 120.0 . . ?
C15C N2C H2C2 120.0 . . ?
H2C1 N2C H2C2 120.0 . . ?
C16C O4C Cu1 119.1(2) . . ?
C16C O5C Cu2 127.1(2) . . ?
O1D C1D N1D 119.5(4) . . ?
O1D C1D C2D 123.8(4) . . ?
N1D C1D C2D 116.6(4) . . ?
C6D C2D C3D 120.6(5) . . ?
C6D C2D C1D 118.6(5) . . ?
C3D C2D C1D 120.6(4) . . ?
C2D C3D C4D 120.5(4) . . ?
C2D C3D C9D 120.5(5) . . ?
C4D C3D C9D 119.0(5) . . ?
C12D C4D C3D 120.2(5) . . ?
C12D C4D C5D 120.3(5) . . ?
C3D C4D C5D 119.5(4) . . ?
O2D C5D N1D 120.9(4) . . ?
O2D C5D C4D 122.0(4) . . ?
N1D C5D C4D 117.0(4) . . ?
C2D C6D C7D 117.8(6) . . ?
C2D C6D H6D 121.1 . . ?
C7D C6D H6D 121.1 . . ?
C8D C7D C6D 121.3(6) . . ?
C8D C7D H7D 119.4 . . ?
C6D C7D H7D 119.4 . . ?
C7D C8D C9D 121.9(6) . . ?
C7D C8D H8D 119.0 . . ?
C9D C8D H8D 119.0 . . ?
C8D C9D C3D 117.8(6) . . ?
C8D C9D C10D 123.5(6) . . ?
C3D C9D C10D 118.7(6) . . ?
C11D C10D C9D 121.3(6) . . ?
C11D C10D H10D 119.4 . . ?
C9D C10D H10D 119.4 . . ?
C10D C11D C12D 120.2(6) . . ?
C10D C11D H11D 119.9 . . ?
C12D C11D H11D 119.9 . . ?
C4D C12D C11D 120.4(6) . . ?
C4D C12D H12D 119.8 . . ?
C11D C12D H12D 119.8 . . ?
N1D C13D C14D 113.2(3) . . ?
N1D C13D C16D 110.1(3) . . ?
C14D C13D C16D 112.0(3) . . ?
N1D C13D H13D 107.1 . . ?
C14D C13D H13D 107.1 . . ?
C16D C13D H13D 107.1 . . ?
C15D C14D C13D 113.4(3) . . ?
C15D C14D H14G 108.9 . . ?
C13D C14D H14G 108.9 . . ?
C15D C14D H14H 108.9 . . ?
C13D C14D H14H 108.9 . . ?
H14G C14D H14H 107.7 . . ?
O3D C15D N2D 123.2(4) . . ?
O3D C15D C14D 120.8(4) . . ?
N2D C15D C14D 115.9(4) . . ?
O4D C16D O5D 126.9(3) . . ?
O4D C16D C13D 119.8(3) . . ?
O5D C16D C13D 113.3(3) . . ?
C5D N1D C1D 124.8(4) . . ?
C5D N1D C13D 118.5(3) . . ?
C1D N1D C13D 116.5(3) . . ?
C15D N2D H2D1 120.0 . . ?
C15D N2D H2D2 120.0 . . ?
H2D1 N2D H2D2 120.0 . . ?
C16D O4D Cu1 126.7(2) . . ?
C16D O5D Cu2 119.8(2) . . ?
O1E C1E N1E 119.7(3) . . ?
O1E C1E C2E 123.5(3) . . ?
N1E C1E C2E 116.7(3) . . ?
C6E C2E C3E 119.7(4) . . ?
C6E C2E C1E 120.3(4) . . ?
C3E C2E C1E 120.0(4) . . ?
C4E C3E C9E 119.9(4) . . ?
C4E C3E C2E 120.4(3) . . ?
C9E C3E C2E 119.7(4) . . ?
C12E C4E C3E 120.0(4) . . ?
C12E C4E C5E 119.3(4) . . ?
C3E C4E C5E 120.7(3) . . ?
O2E C5E N1E 120.6(3) . . ?
O2E C5E C4E 123.1(3) . . ?
N1E C5E C4E 116.3(3) . . ?
C2E C6E C7E 121.1(4) . . ?
C2E C6E H6E 119.4 . . ?
C7E C6E H6E 119.4 . . ?
C8E C7E C6E 119.4(5) . . ?
C8E C7E H7E 120.3 . . ?
C6E C7E H7E 120.3 . . ?
C7E C8E C9E 122.3(4) . . ?
C7E C8E H8E 118.8 . . ?
C9E C8E H8E 118.8 . . ?
C8E C9E C10E 124.1(4) . . ?
C8E C9E C3E 117.8(4) . . ?
C10E C9E C3E 118.1(5) . . ?
C11E C10E C9E 121.4(4) . . ?
C11E C10E H10E 119.3 . . ?
C9E C10E H10E 119.3 . . ?
C10E C11E C12E 121.0(4) . . ?
C10E C11E H11E 119.5 . . ?
C12E C11E H11E 119.5 . . ?
C4E C12E C11E 119.6(5) . . ?
C4E C12E H12E 120.2 . . ?
C11E C12E H12E 120.2 . . ?
N1E C13E C16E 110.3(2) . . ?
N1E C13E C14E 109.9(3) . . ?
C16E C13E C14E 113.9(3) . . ?
N1E C13E H13E 107.5 . . ?
C16E C13E H13E 107.5 . . ?
C14E C13E H13E 107.5 . . ?
C15E C14E C13E 118.4(3) . . ?
C15E C14E H14I 107.7 . . ?
C13E C14E H14I 107.7 . . ?
C15E C14E H14J 107.7 . . ?
C13E C14E H14J 107.7 . . ?
H14I C14E H14J 107.1 . . ?
O3E C15E N2E 122.8(3) . . ?
O3E C15E C14E 116.6(3) . . ?
N2E C15E C14E 120.6(3) . . ?
O4E C16E O5E 126.9(3) . . ?
O4E C16E C13E 117.2(3) . . ?
O5E C16E C13E 115.8(3) . . ?
C5E N1E C1E 125.9(3) . . ?
C5E N1E C13E 117.8(3) . . ?
C1E N1E C13E 116.2(3) . . ?
C15E N2E H2E1 120.0 . . ?
C15E N2E H2E2 120.0 . . ?
H2E1 N2E H2E2 120.0 . . ?
C15E O3E Cu2 125.0(2) . . ?
C16E O4E Cu3 115.4(2) . . ?
C16E O5E Cu4 129.9(2) . . ?
O1F C1F N1F 119.7(3) . . ?
O1F C1F C2F 124.1(3) . . ?
N1F C1F C2F 116.2(3) . . ?
C6F C2F C3F 121.0(4) . . ?
C6F C2F C1F 119.3(4) . . ?
C3F C2F C1F 119.7(3) . . ?
C4F C3F C2F 121.8(3) . . ?
C4F C3F C9F 119.5(4) . . ?
C2F C3F C9F 118.8(4) . . ?
C12F C4F C3F 119.9(4) . . ?
C12F C4F C5F 119.9(4) . . ?
C3F C4F C5F 120.2(3) . . ?
O2F C5F N1F 121.0(3) . . ?
O2F C5F C4F 122.6(3) . . ?
N1F C5F C4F 116.4(3) . . ?
C2F C6F C7F 120.4(4) . . ?
C2F C6F H6F 119.8 . . ?
C7F C6F H6F 119.8 . . ?
C8F C7F C6F 120.2(5) . . ?
C8F C7F H7F 119.9 . . ?
C6F C7F H7F 119.9 . . ?
C7F C8F C9F 121.4(4) . . ?
C7F C8F H8F 119.3 . . ?
C9F C8F H8F 119.3 . . ?
C10F C9F C8F 123.4(4) . . ?
C10F C9F C3F 118.5(4) . . ?
C8F C9F C3F 118.1(4) . . ?
C11F C10F C9F 120.9(4) . . ?
C11F C10F H10F 119.6 . . ?
C9F C10F H10F 119.6 . . ?
C10F C11F C12F 120.3(4) . . ?
C10F C11F H11F 119.8 . . ?
C12F C11F H11F 119.8 . . ?
C4F C12F C11F 120.9(4) . . ?
C4F C12F H12F 119.6 . . ?
C11F C12F H12F 119.6 . . ?
N1F C13F C16F 111.9(3) . . ?
N1F C13F C14F 110.4(3) . . ?
C16F C13F C14F 115.4(3) . . ?
N1F C13F H13F 106.1 . . ?
C16F C13F H13F 106.1 . . ?
C14F C13F H13F 106.1 . . ?
C15F C14F C13F 114.5(3) . . ?
C15F C14F H14K 108.6 . . ?
C13F C14F H14K 108.6 . . ?
C15F C14F H14L 108.6 . . ?
C13F C14F H14L 108.6 . . ?
H14K C14F H14L 107.6 . . ?
O3F C15F N2F 122.9(3) . . ?
O3F C15F C14F 121.0(3) . . ?
N2F C15F C14F 116.0(3) . . ?
O4F C16F O5F 126.0(3) . . ?
O4F C16F C13F 116.5(3) . . ?
O5F C16F C13F 117.2(3) . . ?
C5F N1F C1F 125.2(3) . . ?
C5F N1F C13F 117.0(3) . . ?
C1F N1F C13F 117.2(3) . . ?
C15F N2F H2F1 120.0 . . ?
C15F N2F H2F2 120.0 . . ?
H2F1 N2F H2F2 120.0 . . ?
C16F O4F Cu3 128.8(2) . . ?
C16F O5F Cu4 116.0(2) . . ?
O1G C1G N1G 119.7(3) . . ?
O1G C1G C2G 122.6(3) . . ?
N1G C1G C2G 117.7(3) . . ?
C6G C2G C3G 119.9(3) . . ?
C6G C2G C1G 120.5(3) . . ?
C3G C2G C1G 119.6(3) . . ?
C4G C3G C9G 120.5(3) . . ?
C4G C3G C2G 120.1(3) . . ?
C9G C3G C2G 119.3(3) . . ?
C12G C4G C3G 120.0(3) . . ?
C12G C4G C5G 118.9(3) . . ?
C3G C4G C5G 121.1(3) . . ?
O2G C5G N1G 119.8(3) . . ?
O2G C5G C4G 123.0(3) . . ?
N1G C5G C4G 117.2(3) . . ?
C2G C6G C7G 120.4(4) . . ?
C2G C6G H6G 119.8 . . ?
C7G C6G H6G 119.8 . . ?
C8G C7G C6G 120.3(4) . . ?
C8G C7G H7G 119.8 . . ?
C6G C7G H7G 119.8 . . ?
C7G C8G C9G 121.1(4) . . ?
C7G C8G H8G 119.5 . . ?
C9G C8G H8G 119.5 . . ?
C8G C9G C3G 119.0(4) . . ?
C8G C9G C10G 122.9(4) . . ?
C3G C9G C10G 118.1(4) . . ?
C11G C10G C9G 120.4(4) . . ?
C11G C10G H10G 119.8 . . ?
C9G C10G H10G 119.8 . . ?
C10G C11G C12G 121.1(4) . . ?
C10G C11G H11G 119.5 . . ?
C12G C11G H11G 119.5 . . ?
C4G C12G C11G 119.9(4) . . ?
C4G C12G H12G 120.1 . . ?
C11G C12G H12G 120.1 . . ?
N1G C13G C14G 110.0(3) . . ?
N1G C13G C16G 111.7(3) . . ?
C14G C13G C16G 114.5(3) . . ?
N1G C13G H13G 106.7 . . ?
C14G C13G H13G 106.7 . . ?
C16G C13G H13G 106.7 . . ?
C13G C14G C15G 112.4(3) . . ?
C13G C14G H14M 109.1 . . ?
C15G C14G H14M 109.1 . . ?
C13G C14G H14N 109.1 . . ?
C15G C14G H14N 109.1 . . ?
H14M C14G H14N 107.9 . . ?
O3G C15G N2G 121.8(4) . . ?
O3G C15G C14G 123.2(4) . . ?
N2G C15G C14G 115.0(4) . . ?
O5G C16G O4G 127.5(3) . . ?
O5G C16G C13G 117.2(3) . . ?
O4G C16G C13G 115.1(3) . . ?
C1G N1G C5G 124.4(3) . . ?
C1G N1G C13G 118.0(3) . . ?
C5G N1G C13G 117.1(3) . . ?
C15G N2G H2G1 120.0 . . ?
C15G N2G H2G2 120.0 . . ?
H2G1 N2G H2G2 120.0 . . ?
C16G O4G Cu3 124.1(2) . . ?
C16G O5G Cu4 119.8(2) . . ?
O1H C1H N1H 119.5(3) . . ?
O1H C1H C2H 122.3(3) . . ?
N1H C1H C2H 118.2(3) . . ?
C6H C2H C3H 120.1(3) . . ?
C6H C2H C1H 120.5(3) . . ?
C3H C2H C1H 119.4(3) . . ?
C4H C3H C9H 120.7(3) . . ?
C4H C3H C2H 120.1(3) . . ?
C9H C3H C2H 119.3(4) . . ?
C12H C4H C3H 119.0(4) . . ?
C12H C4H C5H 119.1(4) . . ?
C3H C4H C5H 121.8(3) . . ?
O2H C5H N1H 119.4(4) . . ?
O2H C5H C4H 124.6(3) . . ?
N1H C5H C4H 116.0(3) . . ?
C2H C6H C7H 120.6(4) . . ?
C2H C6H H6H 119.7 . . ?
C7H C6H H6H 119.7 . . ?
C8H C7H C6H 120.9(4) . . ?
C8H C7H H7H 119.6 . . ?
C6H C7H H7H 119.6 . . ?
C7H C8H C9H 120.6(4) . . ?
C7H C8H H8H 119.7 . . ?
C9H C8H H8H 119.7 . . ?
C10H C9H C3H 118.5(4) . . ?
C10H C9H C8H 123.0(4) . . ?
C3H C9H C8H 118.6(4) . . ?
C11H C10H C9H 120.7(4) . . ?
C11H C10H H10H 119.7 . . ?
C9H C10H H10H 119.7 . . ?
C10H C11H C12H 120.6(4) . . ?
C10H C11H H11H 119.7 . . ?
C12H C11H H11H 119.7 . . ?
C11H C12H C4H 120.5(4) . . ?
C11H C12H H12H 119.7 . . ?
C4H C12H H12H 119.7 . . ?
N1H C13H C16H 111.1(3) . . ?
N1H C13H C14H 112.0(3) . . ?
C16H C13H C14H 113.0(3) . . ?
N1H C13H H13H 106.8 . . ?
C16H C13H H13H 106.8 . . ?
C14H C13H H13H 106.8 . . ?
C15H C14H C13H 109.6(3) . . ?
C15H C14H H14O 109.8 . . ?
C13H C14H H14O 109.8 . . ?
C15H C14H H14P 109.8 . . ?
C13H C14H H14P 109.8 . . ?
H14O C14H H14P 108.2 . . ?
O3H C15H N2H 123.4(4) . . ?
O3H C15H C14H 118.4(4) . . ?
N2H C15H C14H 118.2(4) . . ?
O4H C16H O5H 126.9(3) . . ?
O4H C16H C13H 116.2(3) . . ?
O5H C16H C13H 116.9(3) . . ?
C1H N1H C5H 124.1(3) . . ?
C1H N1H C13H 116.8(3) . . ?
C5H N1H C13H 119.0(3) . . ?
C15H N2H H2H1 120.0 . . ?
C15H N2H H2H2 120.0 . . ?
H2H1 N2H H2H2 120.0 . . ?
C16H O4H Cu3 120.7(2) . . ?
C16H O5H Cu4 124.6(2) . . ?
N3 C21 C22 123.6(5) . . ?
N3 C21 H21 118.2 . . ?
C22 C21 H21 118.2 . . ?
C21 C22 C23 118.9(5) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 H22 120.6 . . ?
C22 C23 C24 119.1(5) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C23 C24 C25 118.0(5) . . ?
C23 C24 H24 121.0 . . ?
C25 C24 H24 121.0 . . ?
N3 C25 C24 122.9(5) . . ?
N3 C25 H25 118.6 . . ?
C24 C25 H25 118.6 . . ?
C21 N3 C25 117.5(3) . . ?
C21 N3 Cu1 119.7(3) . . ?
C25 N3 Cu1 122.6(3) . . ?
O6 C26 H26A 109.5 . . ?
O6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C26 O6 Cu3 117.8(3) . . ?
C26 O6 H6M 103.2 . . ?
Cu3 O6 H6M 117.7 . . ?
O7 C27 H27A 109.5 . . ?
O7 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O7 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C27 O7 H7M 108.5 . . ?
O8 C28 H28A 109.5 . . ?
O8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C28 O8 H8M 122.5 . . ?
Cl2 C1S Cl1 111.7(2) . . ?
Cl2 C1S H1S1 109.3 . . ?
Cl1 C1S H1S1 109.3 . . ?
Cl2 C1S H1S2 109.3 . . ?
Cl1 C1S H1S2 109.3 . . ?
H1S1 C1S H1S2 107.9 . . ?
Cl4 C2S Cl3 111.5(3) . . ?
Cl4 C2S H2S1 109.3 . . ?
Cl3 C2S H2S1 109.3 . . ?
Cl4 C2S H2S2 109.3 . . ?
Cl3 C2S H2S2 109.3 . . ?
H2S1 C2S H2S2 108.0 . . ?
Cl5 C3S Cl6 113.4(4) . . ?
Cl5 C3S H3S1 108.9 . . ?
Cl6 C3S H3S1 108.9 . . ?
Cl5 C3S H3S2 108.9 . . ?
Cl6 C3S H3S2 108.9 . . ?
H3S1 C3S H3S2 107.7 . . ?
C30 C29 H29D 109.5 . . ?
C30 C29 H29E 109.5 . . ?
H29D C29 H29E 109.5 . . ?
C30 C29 H29F 109.5 . . ?
H29D C29 H29F 109.5 . . ?
H29E C29 H29F 109.5 . . ?
O10 C30 C29 107.7(6) . . ?
O10 C30 H30C 110.2 . . ?
C29 C30 H30C 110.2 . . ?
O10 C30 H30D 110.2 . . ?
C29 C30 H30D 110.2 . . ?
H30C C30 H30D 108.5 . . ?
O10 C31 C32 107.6(6) . . ?
O10 C31 H31C 110.2 . . ?
C32 C31 H31C 110.2 . . ?
O10 C31 H31D 110.2 . . ?
C32 C31 H31D 110.2 . . ?
H31C C31 H31D 108.5 . . ?
C31 C32 H32D 109.5 . . ?
C31 C32 H32E 109.5 . . ?
H32D C32 H32E 109.5 . . ?
C31 C32 H32F 109.5 . . ?
H32D C32 H32F 109.5 . . ?
H32E C32 H32F 109.5 . . ?
C31 O10 C30 116.1(6) . . ?
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
Cu1 O4C 1.930(2) . ?
Cu1 O4A 1.944(2) . ?
Cu1 O4B 2.033(2) . ?
Cu1 O4D 2.075(2) . ?
Cu1 N3 2.143(3) . ?
Cu1 Cu2 2.7185(5) . ?
Cu2 O5B 1.896(2) . ?
Cu2 O5D 1.923(2) . ?
Cu2 O5C 2.002(2) . ?
Cu2 O5A 2.026(2) . ?
Cu2 O3E 2.130(2) . ?
Cu3 O4E 1.950(2) . ?
Cu3 O4G 1.952(2) . ?
Cu3 O4H 1.974(2) . ?
Cu3 O4F 2.015(2) . ?
Cu3 O6 2.163(2) . ?
Cu3 Cu4 2.6714(5) . ?
Cu4 O5H 1.944(2) . ?
Cu4 O5F 1.965(2) . ?
Cu4 O5G 1.993(2) . ?
Cu4 O5E 2.021(2) . ?
Cu4 O3A 2.142(2) . ?
C1A O1A 1.204(4) . ?
C1A N1A 1.399(5) . ?
C1A C2A 1.497(5) . ?
C2A C6A 1.377(6) . ?
C2A C3A 1.385(6) . ?
C3A C4A 1.390(6) . ?
C3A C9A 1.431(5) . ?
C4A C12A 1.379(6) . ?
C4A C5A 1.494(5) . ?
C5A O2A 1.199(5) . ?
C5A N1A 1.396(5) . ?
C6A C7A 1.414(6) . ?
C6A H6A 0.9500 . ?
C7A C8A 1.352(7) . ?
C7A H7A 0.9500 . ?
C8A C9A 1.409(7) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.404(7) . ?
C10A C11A 1.350(7) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.404(6) . ?
C11A H11A 0.9500 . ?
C12A H12A 0.9500 . ?
C13A N1A 1.470(4) . ?
C13A C16A 1.525(5) . ?
C13A C14A 1.541(5) . ?
C13A H13A 1.0000 . ?
C14A C15A 1.521(5) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
C15A O3A 1.239(4) . ?
C15A N2A 1.303(4) . ?
C16A O5A 1.248(4) . ?
C16A O4A 1.262(4) . ?
N2A H2A1 0.8800 . ?
N2A H2A2 0.8800 . ?
C1B O1B 1.223(4) . ?
C1B N1B 1.384(4) . ?
C1B C2B 1.475(5) . ?
C2B C6B 1.358(6) . ?
C2B C3B 1.411(5) . ?
C3B C4B 1.392(5) . ?
C3B C9B 1.427(5) . ?
C4B C12B 1.389(5) . ?
C4B C5B 1.468(5) . ?
C5B O2B 1.213(4) . ?
C5B N1B 1.403(5) . ?
C6B C7B 1.426(6) . ?
C6B H6B 0.9500 . ?
C7B C8B 1.343(6) . ?
C7B H7B 0.9500 . ?
C8B C9B 1.427(6) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.399(6) . ?
C10B C11B 1.363(6) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.400(6) . ?
C11B H11B 0.9500 . ?
C12B H12B 0.9500 . ?
C13B N1B 1.475(4) . ?
C13B C16B 1.516(5) . ?
C13B C14B 1.533(5) . ?
C13B H13B 1.0000 . ?
C14B C15B 1.517(5) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C15B O3B 1.233(4) . ?
C15B N2B 1.312(5) . ?
C16B O4B 1.247(4) . ?
C16B O5B 1.259(4) . ?
N2B H2B1 0.8800 . ?
N2B H2B2 0.8800 . ?
C1C O1C 1.215(4) . ?
C1C N1C 1.376(5) . ?
C1C C2C 1.492(5) . ?
C2C C6C 1.370(6) . ?
C2C C3C 1.417(6) . ?
C3C C4C 1.393(6) . ?
C3C C9C 1.427(6) . ?
C4C C12C 1.374(5) . ?
C4C C5C 1.479(5) . ?
C5C O2C 1.203(5) . ?
C5C N1C 1.419(4) . ?
C6C C7C 1.396(6) . ?
C6C H6C 0.9500 . ?
C7C C8C 1.355(7) . ?
C7C H7C 0.9500 . ?
C8C C9C 1.408(7) . ?
C8C H8C 0.9500 . ?
C9C C10C 1.393(6) . ?
C10C C11C 1.351(7) . ?
C10C H10C 0.9500 . ?
C11C C12C 1.424(6) . ?
C11C H11C 0.9500 . ?
C12C H12C 0.9500 . ?
C13C N1C 1.460(4) . ?
C13C C16C 1.533(5) . ?
C13C C14C 1.547(5) . ?
C13C H13C 1.0000 . ?
C14C C15C 1.495(5) . ?
C14C H14E 0.9900 . ?
C14C H14F 0.9900 . ?
C15C O3C 1.225(4) . ?
C15C N2C 1.330(5) . ?
C16C O5C 1.255(4) . ?
C16C O4C 1.256(4) . ?
N2C H2C1 0.8800 . ?
N2C H2C2 0.8800 . ?
C1D O1D 1.200(5) . ?
C1D N1D 1.412(5) . ?
C1D C2D 1.465(6) . ?
C2D C6D 1.388(7) . ?
C2D C3D 1.405(7) . ?
C3D C4D 1.412(7) . ?
C3D C9D 1.415(7) . ?
C4D C12D 1.371(7) . ?
C4D C5D 1.492(6) . ?
C5D O2D 1.208(5) . ?
C5D N1D 1.377(5) . ?
C6D C7D 1.423(8) . ?
C6D H6D 0.9500 . ?
C7D C8D 1.358(10) . ?
C7D H7D 0.9500 . ?
C8D C9D 1.389(9) . ?
C8D H8D 0.9500 . ?
C9D C10D 1.429(10) . ?
C10D C11D 1.330(9) . ?
C10D H10D 0.9500 . ?
C11D C12D 1.423(8) . ?
C11D H11D 0.9500 . ?
C12D H12D 0.9500 . ?
C13D N1D 1.464(5) . ?
C13D C14D 1.535(5) . ?
C13D C16D 1.541(5) . ?
C13D H13D 1.0000 . ?
C14D C15D 1.512(5) . ?
C14D H14G 0.9900 . ?
C14D H14H 0.9900 . ?
C15D O3D 1.221(5) . ?
C15D N2D 1.321(5) . ?
C16D O4D 1.232(4) . ?
C16D O5D 1.268(4) . ?
N2D H2D1 0.8800 . ?
N2D H2D2 0.8800 . ?
C1E O1E 1.213(4) . ?
C1E N1E 1.398(5) . ?
C1E C2E 1.476(5) . ?
C2E C6E 1.372(6) . ?
C2E C3E 1.420(5) . ?
C3E C4E 1.410(6) . ?
C3E C9E 1.415(5) . ?
C4E C12E 1.390(5) . ?
C4E C5E 1.477(5) . ?
C5E O2E 1.220(5) . ?
C5E N1E 1.392(4) . ?
C6E C7E 1.392(6) . ?
C6E H6E 0.9500 . ?
C7E C8E 1.367(7) . ?
C7E H7E 0.9500 . ?
C8E C9E 1.403(7) . ?
C8E H8E 0.9500 . ?
C9E C10E 1.404(7) . ?
C10E C11E 1.363(7) . ?
C10E H10E 0.9500 . ?
C11E C12E 1.390(6) . ?
C11E H11E 0.9500 . ?
C12E H12E 0.9500 . ?
C13E N1E 1.479(4) . ?
C13E C16E 1.529(4) . ?
C13E C14E 1.544(4) . ?
C13E H13E 1.0000 . ?
C14E C15E 1.507(5) . ?
C14E H14I 0.9900 . ?
C14E H14J 0.9900 . ?
C15E O3E 1.245(4) . ?
C15E N2E 1.297(5) . ?
C16E O4E 1.246(4) . ?
C16E O5E 1.261(4) . ?
N2E H2E1 0.8800 . ?
N2E H2E2 0.8800 . ?
C1F O1F 1.191(4) . ?
C1F N1F 1.405(4) . ?
C1F C2F 1.493(5) . ?
C2F C6F 1.361(6) . ?
C2F C3F 1.409(5) . ?
C3F C4F 1.393(5) . ?
C3F C9F 1.432(5) . ?
C4F C12F 1.378(5) . ?
C4F C5F 1.483(5) . ?
C5F O2F 1.209(4) . ?
C5F N1F 1.403(4) . ?
C6F C7F 1.392(6) . ?
C6F H6F 0.9500 . ?
C7F C8F 1.368(7) . ?
C7F H7F 0.9500 . ?
C8F C9F 1.402(7) . ?
C8F H8F 0.9500 . ?
C9F C10F 1.401(6) . ?
C10F C11F 1.364(7) . ?
C10F H10F 0.9500 . ?
C11F C12F 1.391(6) . ?
C11F H11F 0.9500 . ?
C12F H12F 0.9500 . ?
C13F N1F 1.457(4) . ?
C13F C16F 1.521(5) . ?
C13F C14F 1.527(5) . ?
C13F H13F 1.0000 . ?
C14F C15F 1.514(5) . ?
C14F H14K 0.9900 . ?
C14F H14L 0.9900 . ?
C15F O3F 1.237(4) . ?
C15F N2F 1.336(4) . ?
C16F O4F 1.257(4) . ?
C16F O5F 1.266(4) . ?
N2F H2F1 0.8800 . ?
N2F H2F2 0.8800 . ?
C1G O1G 1.220(4) . ?
C1G N1G 1.397(4) . ?
C1G C2G 1.482(5) . ?
C2G C6G 1.364(5) . ?
C2G C3G 1.434(5) . ?
C3G C4G 1.402(5) . ?
C3G C9G 1.405(5) . ?
C4G C12G 1.380(5) . ?
C4G C5G 1.474(5) . ?
C5G O2G 1.219(4) . ?
C5G N1G 1.404(4) . ?
C6G C7G 1.407(6) . ?
C6G H6G 0.9500 . ?
C7G C8G 1.370(6) . ?
C7G H7G 0.9500 . ?
C8G C9G 1.403(6) . ?
C8G H8G 0.9500 . ?
C9G C10G 1.434(6) . ?
C10G C11G 1.354(6) . ?
C10G H10G 0.9500 . ?
C11G C12G 1.407(6) . ?
C11G H11G 0.9500 . ?
C12G H12G 0.9500 . ?
C13G N1G 1.480(4) . ?
C13G C14G 1.517(5) . ?
C13G C16G 1.549(5) . ?
C13G H13G 1.0000 . ?
C14G C15G 1.518(5) . ?
C14G H14M 0.9900 . ?
C14G H14N 0.9900 . ?
C15G O3G 1.210(5) . ?
C15G N2G 1.301(5) . ?
C16G O5G 1.241(4) . ?
C16G O4G 1.257(4) . ?
N2G H2G1 0.8800 . ?
N2G H2G2 0.8800 . ?
C1H O1H 1.215(4) . ?
C1H N1H 1.387(5) . ?
C1H C2H 1.476(5) . ?
C2H C6H 1.370(5) . ?
C2H C3H 1.423(5) . ?
C3H C4H 1.400(6) . ?
C3H C9H 1.415(5) . ?
C4H C12H 1.394(6) . ?
C4H C5H 1.469(5) . ?
C5H O2H 1.216(5) . ?
C5H N1H 1.419(5) . ?
C6H C7H 1.392(5) . ?
C6H H6H 0.9500 . ?
C7H C8H 1.364(6) . ?
C7H H7H 0.9500 . ?
C8H C9H 1.420(6) . ?
C8H H8H 0.9500 . ?
C9H C10H 1.406(6) . ?
C10H C11H 1.373(7) . ?
C10H H10H 0.9500 . ?
C11H C12H 1.392(6) . ?
C11H H11H 0.9500 . ?
C12H H12H 0.9500 . ?
C13H N1H 1.471(5) . ?
C13H C16H 1.529(5) . ?
C13H C14H 1.541(6) . ?
C13H H13H 1.0000 . ?
C14H C15H 1.513(6) . ?
C14H H14O 0.9900 . ?
C14H H14P 0.9900 . ?
C15H O3H 1.244(5) . ?
C15H N2H 1.296(5) . ?
C16H O4H 1.256(4) . ?
C16H O5H 1.258(4) . ?
N2H H2H1 0.8800 . ?
N2H H2H2 0.8800 . ?
C21 N3 1.327(5) . ?
C21 C22 1.362(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.369(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(6) . ?
C24 H24 0.9500 . ?
C25 N3 1.329(5) . ?
C25 H25 0.9500 . ?
C26 O6 1.427(6) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
O6 H6M 0.8316 . ?
C27 O7 1.445(8) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
O7 H7M 0.8493 . ?
C28 O8 1.402(7) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
O8 H8M 0.8401 . ?
C1S Cl2 1.749(4) . ?
C1S Cl1 1.757(4) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
C2S Cl4 1.761(6) . ?
C2S Cl3 1.767(6) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
C3S Cl5 1.729(7) . ?
C3S Cl6 1.736(7) . ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
C29 C30 1.534(10) . ?
C29 H29D 0.9800 . ?
C29 H29E 0.9800 . ?
C29 H29F 0.9800 . ?
C30 O10 1.417(7) . ?
C30 H30C 0.9900 . ?
C30 H30D 0.9900 . ?
C31 O10 1.417(7) . ?
C31 C32 1.585(10) . ?
C31 H31C 0.9900 . ?
C31 H31D 0.9900 . ?
C32 H32D 0.9800 . ?
C32 H32E 0.9800 . ?
C32 H32F 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2A H2A1 O5E 0.88 2.35 3.085(4) 141 .
N2A H2A1 O5F 0.88 2.58 3.076(4) 117 .
N2A H2A2 O3B 0.88 2.27 3.133(4) 165 .
N2B H2B1 O3F 0.88 2.06 2.932(4) 170 .
N2E H2E1 O5D 0.88 2.05 2.810(4) 144 .
N2E H2E2 O1H 0.88 2.04 2.830(4) 148 .
N2E H2E2 O5E 0.88 2.40 2.876(4) 114 .
N2F H2F1 O3B 0.88 2.15 3.000(4) 164 .
N2H H2H2 O3D 0.88 2.08 2.875(5) 149 .
O6 H6M O7 0.83 1.85 2.673(4) 170 .
N2C H2C1 O5F 0.88 2.36 3.047(4) 135 1_655
N2C H2C2 O3G 0.88 2.10 2.981(4) 177 1_655
N2D H2D1 O2G 0.88 2.35 2.888(4) 120 1_655
N2D H2D2 O8 0.88 2.37 3.232(6) 168 1_655
N2F H2F2 O3C 0.88 2.04 2.891(4) 161 1_455
N2G H2G1 O1C 0.88 2.02 2.895(5) 174 1_455
N2H H2H1 O10 0.88 2.08 2.915(5) 159 4_566
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
O4C Cu1 Cu2 O5B -90.66(10) . . . . ?
O4A Cu1 Cu2 O5B 90.51(10) . . . . ?
O4B Cu1 Cu2 O5B 0.05(10) . . . . ?
O4D Cu1 Cu2 O5B 178.69(10) . . . . ?
O4C Cu1 Cu2 O5D 91.26(10) . . . . ?
O4A Cu1 Cu2 O5D -87.58(10) . . . . ?
O4B Cu1 Cu2 O5D -178.03(9) . . . . ?
O4D Cu1 Cu2 O5D 0.61(10) . . . . ?
O4C Cu1 Cu2 O5C 2.45(10) . . . . ?
O4A Cu1 Cu2 O5C -176.39(10) . . . . ?
O4B Cu1 Cu2 O5C 93.16(9) . . . . ?
O4D Cu1 Cu2 O5C -88.21(10) . . . . ?
O4C Cu1 Cu2 O5A -178.74(10) . . . . ?
O4A Cu1 Cu2 O5A 2.42(10) . . . . ?
O4B Cu1 Cu2 O5A -88.03(9) . . . . ?
O4D Cu1 Cu2 O5A 90.61(10) . . . . ?
O4E Cu3 Cu4 O5H -89.99(10) . . . . ?
O4G Cu3 Cu4 O5H 84.83(10) . . . . ?
O4H Cu3 Cu4 O5H -3.80(10) . . . . ?
O4F Cu3 Cu4 O5H -178.95(10) . . . . ?
O6 Cu3 Cu4 O5H 168.5(4) . . . . ?
O4E Cu3 Cu4 O5F 87.61(9) . . . . ?
O4G Cu3 Cu4 O5F -97.57(9) . . . . ?
O4H Cu3 Cu4 O5F 173.80(9) . . . . ?
O4F Cu3 Cu4 O5F -1.35(9) . . . . ?
O6 Cu3 Cu4 O5F -13.9(4) . . . . ?
O4E Cu3 Cu4 O5G -178.89(9) . . . . ?
O4G Cu3 Cu4 O5G -4.07(9) . . . . ?
O4H Cu3 Cu4 O5G -92.70(9) . . . . ?
O4F Cu3 Cu4 O5G 92.15(9) . . . . ?
O6 Cu3 Cu4 O5G 79.6(4) . . . . ?
O4E Cu3 Cu4 O5E 2.05(10) . . . . ?
O4G Cu3 Cu4 O5E 176.87(10) . . . . ?
O4H Cu3 Cu4 O5E 88.24(9) . . . . ?
O4F Cu3 Cu4 O5E -86.91(9) . . . . ?
O6 Cu3 Cu4 O5E -99.5(4) . . . . ?
O1A C1A C2A C6A 0.0(5) . . . . ?
N1A C1A C2A C6A 177.9(3) . . . . ?
O1A C1A C2A C3A -179.8(3) . . . . ?
N1A C1A C2A C3A -1.9(5) . . . . ?
C6A C2A C3A C4A -179.4(4) . . . . ?
C1A C2A C3A C4A 0.5(5) . . . . ?
C6A C2A C3A C9A 0.4(6) . . . . ?
C1A C2A C3A C9A -179.8(3) . . . . ?
C2A C3A C4A C12A -176.8(4) . . . . ?
C9A C3A C4A C12A 3.5(5) . . . . ?
C2A C3A C4A C5A 3.4(5) . . . . ?
C9A C3A C4A C5A -176.3(3) . . . . ?
C12A C4A C5A O2A -5.9(5) . . . . ?
C3A C4A C5A O2A 173.9(4) . . . . ?
C12A C4A C5A N1A 174.5(3) . . . . ?
C3A C4A C5A N1A -5.7(5) . . . . ?
C3A C2A C6A C7A -0.6(6) . . . . ?
C1A C2A C6A C7A 179.6(4) . . . . ?
C2A C6A C7A C8A 1.2(7) . . . . ?
C6A C7A C8A C9A -1.7(8) . . . . ?
C7A C8A C9A C10A -177.0(5) . . . . ?
C7A C8A C9A C3A 1.5(7) . . . . ?
C2A C3A C9A C10A 177.8(4) . . . . ?
C4A C3A C9A C10A -2.4(6) . . . . ?
C2A C3A C9A C8A -0.8(6) . . . . ?
C4A C3A C9A C8A 178.9(4) . . . . ?
C8A C9A C10A C11A 179.2(4) . . . . ?
C3A C9A C10A C11A 0.7(6) . . . . ?
C9A C10A C11A C12A 0.1(7) . . . . ?
C3A C4A C12A C11A -2.8(6) . . . . ?
C5A C4A C12A C11A 177.1(3) . . . . ?
C10A C11A C12A C4A 0.9(6) . . . . ?
N1A C13A C14A C15A -160.4(3) . . . . ?
C16A C13A C14A C15A 73.4(4) . . . . ?
C13A C14A C15A O3A 65.4(4) . . . . ?
C13A C14A C15A N2A -117.7(3) . . . . ?
N1A C13A C16A O5A -166.1(3) . . . . ?
C14A C13A C16A O5A -38.7(4) . . . . ?
N1A C13A C16A O4A 14.7(4) . . . . ?
C14A C13A C16A O4A 142.1(3) . . . . ?
O2A C5A N1A C1A -175.3(3) . . . . ?
C4A C5A N1A C1A 4.4(5) . . . . ?
O2A C5A N1A C13A -3.2(5) . . . . ?
C4A C5A N1A C13A 176.4(3) . . . . ?
O1A C1A N1A C5A 177.3(3) . . . . ?
C2A C1A N1A C5A -0.7(5) . . . . ?
O1A C1A N1A C13A 5.1(5) . . . . ?
C2A C1A N1A C13A -172.9(3) . . . . ?
C16A C13A N1A C5A -110.4(3) . . . . ?
C14A C13A N1A C5A 122.6(3) . . . . ?
C16A C13A N1A C1A 62.2(4) . . . . ?
C14A C13A N1A C1A -64.7(4) . . . . ?
N2A C15A O3A Cu4 -12.2(5) . . . . ?
C14A C15A O3A Cu4 164.5(2) . . . . ?
O5H Cu4 O3A C15A 135.5(3) . . . . ?
O5F Cu4 O3A C15A -41.2(3) . . . . ?
O5G Cu4 O3A C15A -135.3(3) . . . . ?
O5E Cu4 O3A C15A 44.8(3) . . . . ?
O5A C16A O4A Cu1 10.9(4) . . . . ?
C13A C16A O4A Cu1 -170.0(2) . . . . ?
O4B Cu1 O4A C16A 69.8(2) . . . . ?
O4D Cu1 O4A C16A -84.5(2) . . . . ?
N3 Cu1 O4A C16A 169.0(2) . . . . ?
Cu2 Cu1 O4A C16A -7.0(2) . . . . ?
O4A C16A O5A Cu2 -8.2(5) . . . . ?
C13A C16A O5A Cu2 172.7(2) . . . . ?
O5B Cu2 O5A C16A -88.4(3) . . . . ?
O5D Cu2 O5A C16A 90.6(3) . . . . ?
O5C Cu2 O5A C16A 4.5(4) . . . . ?
O3E Cu2 O5A C16A -176.5(3) . . . . ?
Cu1 Cu2 O5A C16A 1.6(3) . . . . ?
O1B C1B C2B C6B -5.2(6) . . . . ?
N1B C1B C2B C6B 173.8(4) . . . . ?
O1B C1B C2B C3B 174.6(4) . . . . ?
N1B C1B C2B C3B -6.3(5) . . . . ?
C6B C2B C3B C4B -177.6(4) . . . . ?
C1B C2B C3B C4B 2.6(6) . . . . ?
C6B C2B C3B C9B 1.0(6) . . . . ?
C1B C2B C3B C9B -178.9(4) . . . . ?
C2B C3B C4B C12B 179.6(4) . . . . ?
C9B C3B C4B C12B 1.0(6) . . . . ?
C2B C3B C4B C5B 0.4(6) . . . . ?
C9B C3B C4B C5B -178.2(4) . . . . ?
C12B C4B C5B O2B 0.8(7) . . . . ?
C3B C4B C5B O2B 180.0(4) . . . . ?
C12B C4B C5B N1B -178.8(4) . . . . ?
C3B C4B C5B N1B 0.4(6) . . . . ?
C3B C2B C6B C7B -0.3(7) . . . . ?
C1B C2B C6B C7B 179.6(4) . . . . ?
C2B C6B C7B C8B -0.7(8) . . . . ?
C6B C7B C8B C9B 0.9(8) . . . . ?
C7B C8B C9B C10B 178.2(5) . . . . ?
C7B C8B C9B C3B -0.2(7) . . . . ?
C4B C3B C9B C10B -0.6(6) . . . . ?
C2B C3B C9B C10B -179.2(4) . . . . ?
C4B C3B C9B C8B 177.9(4) . . . . ?
C2B C3B C9B C8B -0.7(6) . . . . ?
C8B C9B C10B C11B -178.4(4) . . . . ?
C3B C9B C10B C11B 0.0(6) . . . . ?
C9B C10B C11B C12B 0.3(7) . . . . ?
C3B C4B C12B C11B -0.7(7) . . . . ?
C5B C4B C12B C11B 178.4(4) . . . . ?
C10B C11B C12B C4B 0.1(7) . . . . ?
N1B C13B C14B C15B -169.4(3) . . . . ?
C16B C13B C14B C15B 65.7(4) . . . . ?
C13B C14B C15B O3B 34.8(5) . . . . ?
C13B C14B C15B N2B -145.6(3) . . . . ?
N1B C13B C16B O4B 50.0(4) . . . . ?
C14B C13B C16B O4B 175.7(3) . . . . ?
N1B C13B C16B O5B -133.3(3) . . . . ?
C14B C13B C16B O5B -7.7(4) . . . . ?
O1B C1B N1B C5B -173.3(4) . . . . ?
C2B C1B N1B C5B 7.7(6) . . . . ?
O1B C1B N1B C13B 3.4(5) . . . . ?
C2B C1B N1B C13B -175.7(3) . . . . ?
O2B C5B N1B C1B 175.7(4) . . . . ?
C4B C5B N1B C1B -4.7(6) . . . . ?
O2B C5B N1B C13B -1.0(6) . . . . ?
C4B C5B N1B C13B 178.6(3) . . . . ?
C16B C13B N1B C1B 46.3(4) . . . . ?
C14B C13B N1B C1B -80.4(4) . . . . ?
C16B C13B N1B C5B -136.8(3) . . . . ?
C14B C13B N1B C5B 96.6(4) . . . . ?
O5B C16B O4B Cu1 0.6(5) . . . . ?
C13B C16B O4B Cu1 176.7(2) . . . . ?
O4C Cu1 O4B C16B 87.5(3) . . . . ?
O4A Cu1 O4B C16B -88.6(3) . . . . ?
O4D Cu1 O4B C16B -3.4(4) . . . . ?
N3 Cu1 O4B C16B 179.8(3) . . . . ?
Cu2 Cu1 O4B C16B -0.3(2) . . . . ?
O4B C16B O5B Cu2 -0.4(4) . . . . ?
C13B C16B O5B Cu2 -176.7(2) . . . . ?
O5C Cu2 O5B C16B -78.2(2) . . . . ?
O5A Cu2 O5B C16B 78.2(2) . . . . ?
O3E Cu2 O5B C16B 176.8(2) . . . . ?
Cu1 Cu2 O5B C16B 0.1(2) . . . . ?
O1C C1C C2C C6C 3.8(5) . . . . ?
N1C C1C C2C C6C -178.5(3) . . . . ?
O1C C1C C2C C3C -177.0(3) . . . . ?
N1C C1C C2C C3C 0.7(5) . . . . ?
C6C C2C C3C C4C 179.4(4) . . . . ?
C1C C2C C3C C4C 0.2(5) . . . . ?
C6C C2C C3C C9C -0.2(5) . . . . ?
C1C C2C C3C C9C -179.5(3) . . . . ?
C2C C3C C4C C12C -178.8(3) . . . . ?
C9C C3C C4C C12C 0.9(5) . . . . ?
C2C C3C C4C C5C 1.1(5) . . . . ?
C9C C3C C4C C5C -179.2(3) . . . . ?
C12C C4C C5C O2C -4.0(5) . . . . ?
C3C C4C C5C O2C 176.1(3) . . . . ?
C12C C4C C5C N1C 176.7(3) . . . . ?
C3C C4C C5C N1C -3.2(5) . . . . ?
C3C C2C C6C C7C 0.4(6) . . . . ?
C1C C2C C6C C7C 179.7(4) . . . . ?
C2C C6C C7C C8C -0.4(7) . . . . ?
C6C C7C C8C C9C 0.1(8) . . . . ?
C7C C8C C9C C10C 179.3(5) . . . . ?
C7C C8C C9C C3C 0.1(7) . . . . ?
C4C C3C C9C C10C 1.0(6) . . . . ?
C2C C3C C9C C10C -179.3(4) . . . . ?
C4C C3C C9C C8C -179.7(4) . . . . ?
C2C C3C C9C C8C 0.0(6) . . . . ?
C8C C9C C10C C11C 178.8(4) . . . . ?
C3C C9C C10C C11C -2.0(6) . . . . ?
C9C C10C C11C C12C 1.0(7) . . . . ?
C3C C4C C12C C11C -1.8(6) . . . . ?
C5C C4C C12C C11C 178.2(3) . . . . ?
C10C C11C C12C C4C 0.9(6) . . . . ?
N1C C13C C14C C15C -45.6(4) . . . . ?
C16C C13C C14C C15C -171.8(3) . . . . ?
C13C C14C C15C O3C -43.0(5) . . . . ?
C13C C14C C15C N2C 138.0(4) . . . . ?
N1C C13C C16C O5C -162.3(3) . . . . ?
C14C C13C C16C O5C -35.1(4) . . . . ?
N1C C13C C16C O4C 18.7(4) . . . . ?
C14C C13C C16C O4C 145.9(3) . . . . ?
O1C C1C N1C C5C 174.5(3) . . . . ?
C2C C1C N1C C5C -3.2(5) . . . . ?
O1C C1C N1C C13C -1.5(5) . . . . ?
C2C C1C N1C C13C -179.2(3) . . . . ?
O2C C5C N1C C1C -174.9(3) . . . . ?
C4C C5C N1C C1C 4.4(5) . . . . ?
O2C C5C N1C C13C 1.1(5) . . . . ?
C4C C5C N1C C13C -179.6(3) . . . . ?
C16C C13C N1C C1C 62.4(4) . . . . ?
C14C C13C N1C C1C -63.2(4) . . . . ?
C16C C13C N1C C5C -113.9(3) . . . . ?
C14C C13C N1C C5C 120.4(3) . . . . ?
O5C C16C O4C Cu1 10.0(5) . . . . ?
C13C C16C O4C Cu1 -171.1(2) . . . . ?
O4B Cu1 O4C C16C -83.3(2) . . . . ?
O4D Cu1 O4C C16C 70.9(2) . . . . ?
N3 Cu1 O4C C16C 177.5(3) . . . . ?
Cu2 Cu1 O4C C16C -6.6(2) . . . . ?
O4C C16C O5C Cu2 -7.1(5) . . . . ?
C13C C16C O5C Cu2 174.0(2) . . . . ?
O5B Cu2 O5C C16C 90.1(3) . . . . ?
O5D Cu2 O5C C16C -88.1(3) . . . . ?
O5A Cu2 O5C C16C -1.8(4) . . . . ?
O3E Cu2 O5C C16C 179.3(3) . . . . ?
Cu1 Cu2 O5C C16C 1.1(3) . . . . ?
O1D C1D C2D C6D 2.8(7) . . . . ?
N1D C1D C2D C6D -177.7(4) . . . . ?
O1D C1D C2D C3D -172.2(5) . . . . ?
N1D C1D C2D C3D 7.2(7) . . . . ?
C6D C2D C3D C4D 177.4(5) . . . . ?
C1D C2D C3D C4D -7.6(7) . . . . ?
C6D C2D C3D C9D -2.4(8) . . . . ?
C1D C2D C3D C9D 172.5(5) . . . . ?
C2D C3D C4D C12D 177.4(5) . . . . ?
C9D C3D C4D C12D -2.8(8) . . . . ?
C2D C3D C4D C5D 0.0(7) . . . . ?
C9D C3D C4D C5D 179.8(5) . . . . ?
C12D C4D C5D O2D 7.5(7) . . . . ?
C3D C4D C5D O2D -175.1(5) . . . . ?
C12D C4D C5D N1D -169.6(4) . . . . ?
C3D C4D C5D N1D 7.8(7) . . . . ?
C3D C2D C6D C7D -0.2(8) . . . . ?
C1D C2D C6D C7D -175.3(5) . . . . ?
C2D C6D C7D C8D 2.2(10) . . . . ?
C6D C7D C8D C9D -1.4(12) . . . . ?
C7D C8D C9D C3D -1.3(11) . . . . ?
C7D C8D C9D C10D 176.2(7) . . . . ?
C2D C3D C9D C8D 3.2(9) . . . . ?
C4D C3D C9D C8D -176.7(6) . . . . ?
C2D C3D C9D C10D -174.4(5) . . . . ?
C4D C3D C9D C10D 5.7(8) . . . . ?
C8D C9D C10D C11D 177.8(7) . . . . ?
C3D C9D C10D C11D -4.7(10) . . . . ?
C9D C10D C11D C12D 0.6(10) . . . . ?
C3D C4D C12D C11D -1.4(8) . . . . ?
C5D C4D C12D C11D 176.0(5) . . . . ?
C10D C11D C12D C4D 2.5(9) . . . . ?
N1D C13D C14D C15D -61.3(4) . . . . ?
C16D C13D C14D C15D 173.6(3) . . . . ?
C13D C14D C15D O3D 71.8(5) . . . . ?
C13D C14D C15D N2D -107.9(4) . . . . ?
N1D C13D C16D O4D 42.4(4) . . . . ?
C14D C13D C16D O4D 169.3(3) . . . . ?
N1D C13D C16D O5D -140.4(3) . . . . ?
C14D C13D C16D O5D -13.5(4) . . . . ?
O2D C5D N1D C1D 174.4(4) . . . . ?
C4D C5D N1D C1D -8.4(6) . . . . ?
O2D C5D N1D C13D -2.4(6) . . . . ?
C4D C5D N1D C13D 174.8(4) . . . . ?
O1D C1D N1D C5D -179.4(4) . . . . ?
C2D C1D N1D C5D 1.1(6) . . . . ?
O1D C1D N1D C13D -2.5(6) . . . . ?
C2D C1D N1D C13D 178.0(4) . . . . ?
C14D C13D N1D C5D 109.0(4) . . . . ?
C16D C13D N1D C5D -124.8(4) . . . . ?
C14D C13D N1D C1D -68.1(4) . . . . ?
C16D C13D N1D C1D 58.1(4) . . . . ?
O5D C16D O4D Cu1 5.3(5) . . . . ?
C13D C16D O4D Cu1 -177.9(2) . . . . ?
O4C Cu1 O4D C16D -90.8(3) . . . . ?
O4A Cu1 O4D C16D 85.8(3) . . . . ?
O4B Cu1 O4D C16D 0.1(4) . . . . ?
N3 Cu1 O4D C16D 176.9(3) . . . . ?
Cu2 Cu1 O4D C16D -3.0(2) . . . . ?
O4D C16D O5D Cu2 -4.1(4) . . . . ?
C13D C16D O5D Cu2 178.9(2) . . . . ?
O5C Cu2 O5D C16D 79.7(2) . . . . ?
O5A Cu2 O5D C16D -76.8(2) . . . . ?
O3E Cu2 O5D C16D -175.3(2) . . . . ?
Cu1 Cu2 O5D C16D 1.3(2) . . . . ?
O1E C1E C2E C6E -1.7(6) . . . . ?
N1E C1E C2E C6E 179.5(3) . . . . ?
O1E C1E C2E C3E 177.9(3) . . . . ?
N1E C1E C2E C3E -0.8(5) . . . . ?
C6E C2E C3E C4E -179.6(4) . . . . ?
C1E C2E C3E C4E 0.7(5) . . . . ?
C6E C2E C3E C9E 0.3(5) . . . . ?
C1E C2E C3E C9E -179.3(3) . . . . ?
C9E C3E C4E C12E 0.2(5) . . . . ?
C2E C3E C4E C12E -179.8(4) . . . . ?
C9E C3E C4E C5E 179.0(3) . . . . ?
C2E C3E C4E C5E -1.0(5) . . . . ?
C12E C4E C5E O2E -1.0(5) . . . . ?
C3E C4E C5E O2E -179.8(3) . . . . ?
C12E C4E C5E N1E -179.7(3) . . . . ?
C3E C4E C5E N1E 1.5(5) . . . . ?
C3E C2E C6E C7E -0.2(6) . . . . ?
C1E C2E C6E C7E 179.4(4) . . . . ?
C2E C6E C7E C8E -0.4(7) . . . . ?
C6E C7E C8E C9E 0.9(8) . . . . ?
C7E C8E C9E C10E 179.5(5) . . . . ?
C7E C8E C9E C3E -0.8(7) . . . . ?
C4E C3E C9E C8E -179.9(4) . . . . ?
C2E C3E C9E C8E 0.2(6) . . . . ?
C4E C3E C9E C10E -0.1(6) . . . . ?
C2E C3E C9E C10E 179.9(4) . . . . ?
C8E C9E C10E C11E 179.4(5) . . . . ?
C3E C9E C10E C11E -0.3(6) . . . . ?
C9E C10E C11E C12E 0.6(7) . . . . ?
C3E C4E C12E C11E 0.1(6) . . . . ?
C5E C4E C12E C11E -178.7(4) . . . . ?
C10E C11E C12E C4E -0.5(7) . . . . ?
N1E C13E C14E C15E -158.3(3) . . . . ?
C16E C13E C14E C15E 77.2(4) . . . . ?
C13E C14E C15E O3E 167.8(3) . . . . ?
C13E C14E C15E N2E -11.6(5) . . . . ?
N1E C13E C16E O4E 37.3(4) . . . . ?
C14E C13E C16E O4E 161.5(3) . . . . ?
N1E C13E C16E O5E -146.3(3) . . . . ?
C14E C13E C16E O5E -22.1(4) . . . . ?
O2E C5E N1E C1E 179.6(3) . . . . ?
C4E C5E N1E C1E -1.7(5) . . . . ?
O2E C5E N1E C13E 3.1(5) . . . . ?
C4E C5E N1E C13E -178.1(3) . . . . ?
O1E C1E N1E C5E -177.4(3) . . . . ?
C2E C1E N1E C5E 1.4(5) . . . . ?
O1E C1E N1E C13E -0.9(4) . . . . ?
C2E C1E N1E C13E 177.9(3) . . . . ?
C16E C13E N1E C5E -130.6(3) . . . . ?
C14E C13E N1E C5E 102.9(3) . . . . ?
C16E C13E N1E C1E 52.6(4) . . . . ?
C14E C13E N1E C1E -73.9(3) . . . . ?
N2E C15E O3E Cu2 -14.5(5) . . . . ?
C14E C15E O3E Cu2 166.1(2) . . . . ?
O5B Cu2 O3E C15E -134.6(3) . . . . ?
O5D Cu2 O3E C15E 43.4(3) . . . . ?
O5C Cu2 O3E C15E 132.7(3) . . . . ?
O5A Cu2 O3E C15E -46.8(3) . . . . ?
O5E C16E O4E Cu3 0.4(4) . . . . ?
C13E C16E O4E Cu3 176.4(2) . . . . ?
O4H Cu3 O4E C16E -86.7(2) . . . . ?
O4F Cu3 O4E C16E 75.4(2) . . . . ?
O6 Cu3 O4E C16E 166.6(2) . . . . ?
Cu4 Cu3 O4E C16E -2.0(2) . . . . ?
O4E C16E O5E Cu4 2.6(5) . . . . ?
C13E C16E O5E Cu4 -173.4(2) . . . . ?
O5H Cu4 O5E C16E 79.4(3) . . . . ?
O5F Cu4 O5E C16E -94.5(3) . . . . ?
O5G Cu4 O5E C16E -5.9(5) . . . . ?
O3A Cu4 O5E C16E 173.7(3) . . . . ?
Cu3 Cu4 O5E C16E -3.0(3) . . . . ?
O1F C1F C2F C6F -2.3(6) . . . . ?
N1F C1F C2F C6F 178.6(4) . . . . ?
O1F C1F C2F C3F 176.2(4) . . . . ?
N1F C1F C2F C3F -2.9(5) . . . . ?
C6F C2F C3F C4F 179.6(4) . . . . ?
C1F C2F C3F C4F 1.1(6) . . . . ?
C6F C2F C3F C9F 0.6(6) . . . . ?
C1F C2F C3F C9F -177.8(4) . . . . ?
C2F C3F C4F C12F 177.2(4) . . . . ?
C9F C3F C4F C12F -3.9(6) . . . . ?
C2F C3F C4F C5F -3.0(5) . . . . ?
C9F C3F C4F C5F 176.0(3) . . . . ?
C12F C4F C5F O2F 7.6(6) . . . . ?
C3F C4F C5F O2F -172.3(4) . . . . ?
C12F C4F C5F N1F -173.6(3) . . . . ?
C3F C4F C5F N1F 6.6(5) . . . . ?
C3F C2F C6F C7F -1.8(7) . . . . ?
C1F C2F C6F C7F 176.6(4) . . . . ?
C2F C6F C7F C8F 0.1(8) . . . . ?
C6F C7F C8F C9F 2.9(8) . . . . ?
C7F C8F C9F C10F 177.1(5) . . . . ?
C7F C8F C9F C3F -4.0(7) . . . . ?
C4F C3F C9F C10F 2.2(6) . . . . ?
C2F C3F C9F C10F -178.8(4) . . . . ?
C4F C3F C9F C8F -176.7(4) . . . . ?
C2F C3F C9F C8F 2.3(6) . . . . ?
C8F C9F C10F C11F -179.8(5) . . . . ?
C3F C9F C10F C11F 1.4(7) . . . . ?
C9F C10F C11F C12F -3.3(7) . . . . ?
C3F C4F C12F C11F 2.0(6) . . . . ?
C5F C4F C12F C11F -177.8(4) . . . . ?
C10F C11F C12F C4F 1.6(6) . . . . ?
N1F C13F C14F C15F -158.8(3) . . . . ?
C16F C13F C14F C15F 73.1(4) . . . . ?
C13F C14F C15F O3F 32.9(4) . . . . ?
C13F C14F C15F N2F -151.5(3) . . . . ?
N1F C13F C16F O4F 41.3(4) . . . . ?
C14F C13F C16F O4F 168.7(3) . . . . ?
N1F C13F C16F O5F -143.6(3) . . . . ?
C14F C13F C16F O5F -16.2(4) . . . . ?
O2F C5F N1F C1F 169.9(3) . . . . ?
C4F C5F N1F C1F -9.0(5) . . . . ?
O2F C5F N1F C13F -0.7(5) . . . . ?
C4F C5F N1F C13F -179.6(3) . . . . ?
O1F C1F N1F C5F -171.9(3) . . . . ?
C2F C1F N1F C5F 7.2(5) . . . . ?
O1F C1F N1F C13F -1.4(5) . . . . ?
C2F C1F N1F C13F 177.8(3) . . . . ?
C16F C13F N1F C5F -135.9(3) . . . . ?
C14F C13F N1F C5F 94.1(3) . . . . ?
C16F C13F N1F C1F 52.7(4) . . . . ?
C14F C13F N1F C1F -77.3(4) . . . . ?
O5F C16F O4F Cu3 -15.3(5) . . . . ?
C13F C16F O4F Cu3 159.3(2) . . . . ?
O4E Cu3 O4F C16F -83.5(3) . . . . ?
O4G Cu3 O4F C16F 89.8(3) . . . . ?
O4H Cu3 O4F C16F -7.2(5) . . . . ?
O6 Cu3 O4F C16F -174.2(3) . . . . ?
Cu4 Cu3 O4F C16F 8.3(2) . . . . ?
O4F C16F O5F Cu4 11.8(4) . . . . ?
C13F C16F O5F Cu4 -162.8(2) . . . . ?
O5G Cu4 O5F C16F -88.6(2) . . . . ?
O5E Cu4 O5F C16F 71.9(2) . . . . ?
O3A Cu4 O5F C16F 168.6(2) . . . . ?
Cu3 Cu4 O5F C16F -4.1(2) . . . . ?
O1G C1G C2G C6G -2.1(5) . . . . ?
N1G C1G C2G C6G 178.3(3) . . . . ?
O1G C1G C2G C3G 178.7(3) . . . . ?
N1G C1G C2G C3G -0.9(5) . . . . ?
C6G C2G C3G C4G 179.9(3) . . . . ?
C1G C2G C3G C4G -0.9(5) . . . . ?
C6G C2G C3G C9G -0.5(5) . . . . ?
C1G C2G C3G C9G 178.7(3) . . . . ?
C9G C3G C4G C12G 0.2(5) . . . . ?
C2G C3G C4G C12G 179.8(3) . . . . ?
C9G C3G C4G C5G -178.3(3) . . . . ?
C2G C3G C4G C5G 1.3(5) . . . . ?
C12G C4G C5G O2G 1.5(5) . . . . ?
C3G C4G C5G O2G -180.0(3) . . . . ?
C12G C4G C5G N1G -178.4(3) . . . . ?
C3G C4G C5G N1G 0.2(5) . . . . ?
C3G C2G C6G C7G 0.3(6) . . . . ?
C1G C2G C6G C7G -178.9(4) . . . . ?
C2G C6G C7G C8G 0.3(6) . . . . ?
C6G C7G C8G C9G -0.7(6) . . . . ?
C7G C8G C9G C3G 0.4(6) . . . . ?
C7G C8G C9G C10G -179.7(4) . . . . ?
C4G C3G C9G C8G 179.7(4) . . . . ?
C2G C3G C9G C8G 0.1(5) . . . . ?
C4G C3G C9G C10G -0.2(5) . . . . ?
C2G C3G C9G C10G -179.8(3) . . . . ?
C8G C9G C10G C11G 179.8(4) . . . . ?
C3G C9G C10G C11G -0.3(6) . . . . ?
C9G C10G C11G C12G 0.6(6) . . . . ?
C3G C4G C12G C11G 0.1(6) . . . . ?
C5G C4G C12G C11G 178.7(4) . . . . ?
C10G C11G C12G C4G -0.6(6) . . . . ?
N1G C13G C14G C15G -162.0(3) . . . . ?
C16G C13G C14G C15G 71.2(4) . . . . ?
C13G C14G C15G O3G 16.4(5) . . . . ?
C13G C14G C15G N2G -165.2(4) . . . . ?
N1G C13G C16G O5G -135.8(3) . . . . ?
C14G C13G C16G O5G -9.9(4) . . . . ?
N1G C13G C16G O4G 49.1(4) . . . . ?
C14G C13G C16G O4G 175.0(3) . . . . ?
O1G C1G N1G C5G -177.1(3) . . . . ?
C2G C1G N1G C5G 2.5(5) . . . . ?
O1G C1G N1G C13G -5.9(5) . . . . ?
C2G C1G N1G C13G 173.8(3) . . . . ?
O2G C5G N1G C1G 177.9(3) . . . . ?
C4G C5G N1G C1G -2.2(5) . . . . ?
O2G C5G N1G C13G 6.6(5) . . . . ?
C4G C5G N1G C13G -173.5(3) . . . . ?
C14G C13G N1G C1G -73.0(4) . . . . ?
C16G C13G N1G C1G 55.3(4) . . . . ?
C14G C13G N1G C5G 98.9(3) . . . . ?
C16G C13G N1G C5G -132.8(3) . . . . ?
O5G C16G O4G Cu3 9.9(5) . . . . ?
C13G C16G O4G Cu3 -175.6(2) . . . . ?
O4H Cu3 O4G C16G 84.3(3) . . . . ?
O4F Cu3 O4G C16G -77.5(3) . . . . ?
O6 Cu3 O4G C16G -169.1(2) . . . . ?
Cu4 Cu3 O4G C16G -0.7(2) . . . . ?
O4G C16G O5G Cu4 -15.2(4) . . . . ?
C13G C16G O5G Cu4 170.4(2) . . . . ?
O5H Cu4 O5G C16G -72.6(2) . . . . ?
O5F Cu4 O5G C16G 100.3(2) . . . . ?
O5E Cu4 O5G C16G 13.0(4) . . . . ?
O3A Cu4 O5G C16G -166.6(2) . . . . ?
Cu3 Cu4 O5G C16G 10.2(2) . . . . ?
O1H C1H C2H C6H 1.6(6) . . . . ?
N1H C1H C2H C6H -177.4(3) . . . . ?
O1H C1H C2H C3H 179.5(3) . . . . ?
N1H C1H C2H C3H 0.5(5) . . . . ?
C6H C2H C3H C4H -179.2(3) . . . . ?
C1H C2H C3H C4H 2.9(5) . . . . ?
C6H C2H C3H C9H -0.4(5) . . . . ?
C1H C2H C3H C9H -178.3(3) . . . . ?
C9H C3H C4H C12H 0.8(5) . . . . ?
C2H C3H C4H C12H 179.7(3) . . . . ?
C9H C3H C4H C5H -180.0(3) . . . . ?
C2H C3H C4H C5H -1.1(5) . . . . ?
C12H C4H C5H O2H -3.4(6) . . . . ?
C3H C4H C5H O2H 177.3(4) . . . . ?
C12H C4H C5H N1H 175.3(3) . . . . ?
C3H C4H C5H N1H -3.9(5) . . . . ?
C3H C2H C6H C7H 0.2(6) . . . . ?
C1H C2H C6H C7H 178.1(4) . . . . ?
C2H C6H C7H C8H 0.2(6) . . . . ?
C6H C7H C8H C9H -0.4(6) . . . . ?
C4H C3H C9H C10H -0.4(6) . . . . ?
C2H C3H C9H C10H -179.2(3) . . . . ?
C4H C3H C9H C8H 179.0(3) . . . . ?
C2H C3H C9H C8H 0.2(5) . . . . ?
C7H C8H C9H C10H 179.6(4) . . . . ?
C7H C8H C9H C3H 0.2(6) . . . . ?
C3H C9H C10H C11H -0.2(6) . . . . ?
C8H C9H C10H C11H -179.6(4) . . . . ?
C9H C10H C11H C12H 0.4(6) . . . . ?
C10H C11H C12H C4H 0.0(6) . . . . ?
C3H C4H C12H C11H -0.6(6) . . . . ?
C5H C4H C12H C11H -179.9(4) . . . . ?
N1H C13H C14H C15H -67.0(4) . . . . ?
C16H C13H C14H C15H 166.5(3) . . . . ?
C13H C14H C15H O3H -70.6(5) . . . . ?
C13H C14H C15H N2H 109.9(4) . . . . ?
N1H C13H C16H O4H 53.0(4) . . . . ?
C14H C13H C16H O4H 179.9(3) . . . . ?
N1H C13H C16H O5H -130.1(3) . . . . ?
C14H C13H C16H O5H -3.2(4) . . . . ?
O1H C1H N1H C5H 174.9(3) . . . . ?
C2H C1H N1H C5H -6.1(5) . . . . ?
O1H C1H N1H C13H -5.8(5) . . . . ?
C2H C1H N1H C13H 173.2(3) . . . . ?
O2H C5H N1H C1H -173.5(4) . . . . ?
C4H C5H N1H C1H 7.7(5) . . . . ?
O2H C5H N1H C13H 7.2(5) . . . . ?
C4H C5H N1H C13H -171.6(3) . . . . ?
C16H C13H N1H C1H 52.5(4) . . . . ?
C14H C13H N1H C1H -74.9(4) . . . . ?
C16H C13H N1H C5H -128.2(3) . . . . ?
C14H C13H N1H C5H 104.4(4) . . . . ?
O5H C16H O4H Cu3 0.3(5) . . . . ?
C13H C16H O4H Cu3 176.8(2) . . . . ?
O4E Cu3 O4H C16H 95.1(2) . . . . ?
O4G Cu3 O4H C16H -79.8(2) . . . . ?
O4F Cu3 O4H C16H 18.3(5) . . . . ?
O6 Cu3 O4H C16H -175.2(2) . . . . ?
Cu4 Cu3 O4H C16H 3.1(2) . . . . ?
O4H C16H O5H Cu4 -5.7(5) . . . . ?
C13H C16H O5H Cu4 177.7(2) . . . . ?
O5G Cu4 O5H C16H 90.6(3) . . . . ?
O5E Cu4 O5H C16H -70.0(3) . . . . ?
O3A Cu4 O5H C16H -166.9(3) . . . . ?
Cu3 Cu4 O5H C16H 5.9(2) . . . . ?
N3 C21 C22 C23 -1.2(9) . . . . ?
C21 C22 C23 C24 2.4(10) . . . . ?
C22 C23 C24 C25 -1.4(9) . . . . ?
C23 C24 C25 N3 -0.9(8) . . . . ?
C22 C21 N3 C25 -1.1(7) . . . . ?
C22 C21 N3 Cu1 174.4(4) . . . . ?
C24 C25 N3 C21 2.1(6) . . . . ?
C24 C25 N3 Cu1 -173.2(4) . . . . ?
O4C Cu1 N3 C21 159.1(3) . . . . ?
O4A Cu1 N3 C21 -21.8(3) . . . . ?
O4B Cu1 N3 C21 68.5(3) . . . . ?
O4D Cu1 N3 C21 -110.1(3) . . . . ?
O4C Cu1 N3 C25 -25.7(3) . . . . ?
O4A Cu1 N3 C25 153.4(3) . . . . ?
O4B Cu1 N3 C25 -116.3(3) . . . . ?
O4D Cu1 N3 C25 65.1(3) . . . . ?
O4E Cu3 O6 C26 -32.7(4) . . . . ?
O4G Cu3 O6 C26 151.2(4) . . . . ?
O4H Cu3 O6 C26 -119.1(4) . . . . ?
O4F Cu3 O6 C26 56.6(4) . . . . ?
Cu4 Cu3 O6 C26 68.9(5) . . . . ?
C32 C31 O10 C30 179.9(7) . . . . ?
C29 C30 O10 C31 179.5(7) . . . . ?
