#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/30/1513076.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_1513076
loop_
_publ_author_name
'Daniel L. Reger'
'Agota Debreczeni'
'Mark D. Smith'
_publ_section_title
;
 Synthesis and structure of a Cu4O4 cubane core complex from a carboxylate
 ligand containing a strong pi pi stacking supramolecular synthon
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              102
_journal_page_last               108
_journal_paper_doi               10.1016/j.ica.2012.01.041
_journal_volume                  386
_journal_year                    2012
_chemical_formula_moiety         'C81 H74 Cu4 N6 O21'
_chemical_formula_sum            'C81 H74 Cu4 N6 O21'
_chemical_formula_weight         1721.62
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 115.139(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.108(4)
_cell_length_b                   27.934(4)
_cell_length_c                   28.988(4)
_cell_measurement_reflns_used    5229
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      22.218
_cell_measurement_theta_min      2.165
_cell_volume                     20605(5)
_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      294(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0727
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            85945
_diffrn_reflns_theta_full        20.82
_diffrn_reflns_theta_max         20.82
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    0.873
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8216
_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    1.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             7088
_exptl_crystal_size_max          0.66
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.433
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     979
_refine_ls_number_reflns         10792
_refine_ls_number_restraints     149
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0891
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0962P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1480
_refine_ls_wR_factor_ref         0.1621
_reflns_number_gt                6856
_reflns_number_total             10792
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ad07.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1513076
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.15721(3) 0.28313(3) 0.24220(2) 0.0734(3) Uani 1 1 d . . .
Cu2 Cu 0.27471(3) 0.28177(3) 0.27666(2) 0.0731(3) Uani 1 1 d . . .
Cu3 Cu 0.21261(3) 0.36864(3) 0.30526(3) 0.0740(3) Uani 1 1 d . . .
Cu4 Cu 0.22508(3) 0.36493(3) 0.20745(2) 0.0744(3) Uani 1 1 d . . .
C1A C 0.0975(3) 0.0234(3) 0.2118(3) 0.097(2) Uani 1 1 d D . .
C2A C 0.0510(3) -0.0044(3) 0.2000(2) 0.0758(17) Uani 1 1 d D . .
C3A C 0.0019(3) 0.0163(2) 0.1869(2) 0.0687(16) Uani 1 1 d D . .
C4A C -0.0029(2) 0.0665(3) 0.18597(19) 0.0666(16) Uani 1 1 d D . .
C5A C 0.0428(3) 0.0963(3) 0.1995(3) 0.0873(19) Uani 1 1 d D . .
C6A C 0.0550(3) -0.0531(3) 0.2003(3) 0.099(2) Uani 1 1 d D . .
H6A H 0.0875 -0.0671 0.2084 0.119 Uiso 1 1 calc R . .
C7A C 0.0111(4) -0.0822(3) 0.1889(3) 0.119(3) Uani 1 1 d D . .
H7A H 0.0148 -0.1153 0.1900 0.143 Uiso 1 1 calc R . .
C8A C -0.0363(4) -0.0626(3) 0.1761(3) 0.116(3) Uani 1 1 d D . .
H8A H -0.0653 -0.0824 0.1682 0.139 Uiso 1 1 calc R . .
C9A C -0.0430(3) -0.0137(3) 0.1744(2) 0.0846(19) Uani 1 1 d D . .
C10A C -0.0909(3) 0.0096(4) 0.1618(3) 0.112(3) Uani 1 1 d D . .
H10A H -0.1209 -0.0087 0.1539 0.135 Uiso 1 1 calc R . .
C11A C -0.0951(3) 0.0567(4) 0.1607(3) 0.113(3) Uani 1 1 d D . .
H11A H -0.1280 0.0706 0.1512 0.136 Uiso 1 1 calc R . .
C12A C -0.0508(3) 0.0863(3) 0.1736(2) 0.091(2) Uani 1 1 d D . .
H12A H -0.0544 0.1194 0.1737 0.109 Uiso 1 1 calc R . .
N1A N 0.0904(2) 0.0731(2) 0.2096(2) 0.108(2) Uani 1 1 d D . .
O1A O 0.1410(2) 0.00669(19) 0.2220(2) 0.139(2) Uani 1 1 d D . .
O2A O 0.0407(2) 0.13995(19) 0.2009(2) 0.1171(17) Uani 1 1 d D . .
C13A C 0.1348(3) 0.1031(3) 0.2117(3) 0.157(4) Uani 1 1 d D . .
H13A H 0.1216 0.1325 0.1928 0.189 Uiso 1 1 calc R . .
H13B H 0.1546 0.0861 0.1964 0.189 Uiso 1 1 calc R . .
C14A C 0.1699(3) 0.1144(3) 0.2665(3) 0.147(3) Uani 1 1 d D . .
H14A H 0.1797 0.0852 0.2864 0.176 Uiso 1 1 calc R . .
H14B H 0.1519 0.1352 0.2806 0.176 Uiso 1 1 calc R . .
C15A C 0.2196(3) 0.1397(2) 0.2674(4) 0.197(6) Uani 1 1 d D . .
H15A H 0.2491 0.1320 0.2994 0.236 Uiso 1 1 calc R . .
H15B H 0.2271 0.1263 0.2403 0.236 Uiso 1 1 calc R . .
C16A C 0.2167(3) 0.1940(2) 0.2615(2) 0.089(2) Uani 1 1 d D . .
O3A O 0.17250(16) 0.21365(14) 0.24990(14) 0.0790(12) Uani 1 1 d . . .
O4A O 0.25949(16) 0.21360(14) 0.27114(14) 0.0809(12) Uani 1 1 d . . .
C1B C 0.0497(3) 0.5224(4) 0.1944(3) 0.110(3) Uani 1 1 d . . .
C2B C -0.0008(4) 0.5418(4) 0.1866(3) 0.109(2) Uani 1 1 d . . .
C3B C -0.0094(4) 0.5912(5) 0.1829(3) 0.111(3) Uani 1 1 d . . .
C4B C 0.0305(5) 0.6225(4) 0.1848(3) 0.121(3) Uani 1 1 d . . .
C5B C 0.0823(4) 0.6047(4) 0.1905(3) 0.124(3) Uani 1 1 d . . .
C6B C -0.0414(4) 0.5114(4) 0.1831(3) 0.145(3) Uani 1 1 d . . .
H6B H -0.0362 0.4785 0.1867 0.174 Uiso 1 1 calc R . .
C7B C -0.0915(5) 0.5321(7) 0.1736(4) 0.193(6) Uani 1 1 d . . .
H7B H -0.1200 0.5127 0.1693 0.231 Uiso 1 1 calc R . .
C8B C -0.0967(6) 0.5813(7) 0.1711(5) 0.180(7) Uani 1 1 d . . .
H8B H -0.1290 0.5937 0.1665 0.217 Uiso 1 1 calc R . .
C9B C -0.0579(5) 0.6138(7) 0.1747(4) 0.148(5) Uani 1 1 d . . .
C10B C -0.0640(8) 0.6629(7) 0.1724(6) 0.211(9) Uani 1 1 d . . .
H10B H -0.0962 0.6759 0.1678 0.253 Uiso 1 1 calc R . .
C11B C -0.0251(8) 0.6918(7) 0.1766(7) 0.209(8) Uani 1 1 d . . .
H11B H -0.0295 0.7248 0.1758 0.251 Uiso 1 1 calc R . .
C12B C 0.0233(5) 0.6717(5) 0.1823(4) 0.170(4) Uani 1 1 d . . .
H12B H 0.0505 0.6918 0.1844 0.204 Uiso 1 1 calc R . .
N1B N 0.0872(3) 0.5549(3) 0.1948(2) 0.1027(18) Uani 1 1 d D . .
O1B O 0.0604(2) 0.4802(2) 0.2015(3) 0.149(2) Uani 1 1 d . . .
O2B O 0.1181(3) 0.6292(3) 0.1923(3) 0.180(3) Uani 1 1 d . . .
O3B O 0.21487(16) 0.43650(16) 0.29019(17) 0.0886(13) Uani 1 1 d D . .
O4B O 0.22654(15) 0.43409(15) 0.21826(17) 0.0848(12) Uani 1 1 d D A .
C13B C 0.1376(3) 0.5345(3) 0.1991(3) 0.117(2) Uani 1 1 d D . .
H13C H 0.1499 0.5528 0.1778 0.141 Uiso 1 1 calc R . .
H13D H 0.1319 0.5018 0.1866 0.141 Uiso 1 1 calc R . .
C14B C 0.1800(3) 0.5350(2) 0.2542(3) 0.102(2) Uani 1 1 d D . .
H14C H 0.1882 0.5678 0.2659 0.123 Uiso 1 1 calc R . .
H14D H 0.1670 0.5189 0.2762 0.123 Uiso 1 1 calc R . .
C15B C 0.2295(2) 0.5100(2) 0.2575(3) 0.098(2) Uani 1 1 d D . .
H15C H 0.2589 0.5185 0.2893 0.118 Uiso 1 1 calc R A .
H15D H 0.2375 0.5208 0.2298 0.118 Uiso 1 1 calc R . .
C16B C 0.2227(2) 0.4557(2) 0.2546(3) 0.0790(19) Uani 1 1 d D A .
C1C C 0.4174(3) 0.4961(3) 0.5392(2) 0.085(2) Uani 1 1 d . . .
C2C C 0.4723(3) 0.5134(3) 0.5539(2) 0.086(2) Uani 1 1 d . . .
C3C C 0.5126(3) 0.4805(4) 0.5645(2) 0.084(2) Uani 1 1 d . . .
C4C C 0.5029(3) 0.4320(4) 0.5617(2) 0.088(2) Uani 1 1 d . . .
C5C C 0.4502(3) 0.4138(3) 0.5485(2) 0.092(2) Uani 1 1 d . . .
C6C C 0.4806(4) 0.5615(3) 0.5565(3) 0.109(2) Uani 1 1 d . . .
H6C H 0.4529 0.5829 0.5485 0.131 Uiso 1 1 calc R . .
C7C C 0.5321(6) 0.5775(4) 0.5718(4) 0.139(4) Uani 1 1 d . . .
H7C H 0.5386 0.6102 0.5753 0.166 Uiso 1 1 calc R . .
C8C C 0.5709(6) 0.5490(7) 0.5810(4) 0.150(5) Uani 1 1 d . . .
H8C H 0.6041 0.5618 0.5894 0.180 Uiso 1 1 calc R . .
C9C C 0.5646(4) 0.4995(6) 0.5787(3) 0.120(3) Uani 1 1 d . . .
C10C C 0.6036(4) 0.4651(6) 0.5878(3) 0.145(4) Uani 1 1 d . . .
H10C H 0.6380 0.4751 0.5970 0.174 Uiso 1 1 calc R . .
C11C C 0.5928(5) 0.4171(6) 0.5837(4) 0.161(5) Uani 1 1 d . . .
H11C H 0.6199 0.3953 0.5900 0.194 Uiso 1 1 calc R . .
C12C C 0.5420(4) 0.4001(4) 0.5703(3) 0.126(3) Uani 1 1 d . . .
H12C H 0.5350 0.3674 0.5674 0.152 Uiso 1 1 calc R . .
N1C N 0.4111(2) 0.4471(3) 0.53877(17) 0.0802(14) Uani 1 1 d . . .
O1C O 0.3800(2) 0.5225(2) 0.52730(19) 0.1184(17) Uani 1 1 d . . .
O2C O 0.4395(2) 0.3709(2) 0.5453(2) 0.1267(19) Uani 1 1 d . . .
O3C O 0.25897(17) 0.38038(15) 0.37563(16) 0.0868(12) Uani 1 1 d . . .
O4C O 0.1891(2) 0.3871(2) 0.3899(2) 0.155(2) Uani 1 1 d . . .
C13C C 0.3582(3) 0.4274(3) 0.5272(2) 0.100(2) Uani 1 1 d . . .
H13E H 0.3390 0.4500 0.5384 0.120 Uiso 1 1 calc R . .
H13F H 0.3619 0.3979 0.5461 0.120 Uiso 1 1 calc R . .
C14C C 0.3267(2) 0.4175(3) 0.4699(2) 0.094(2) Uani 1 1 d . . .
H14E H 0.3245 0.4466 0.4508 0.113 Uiso 1 1 calc R . .
H14F H 0.3447 0.3935 0.4591 0.113 Uiso 1 1 calc R . .
C15C C 0.2719(3) 0.4003(3) 0.4589(3) 0.122(3) Uani 1 1 d . . .
H15E H 0.2750 0.3719 0.4793 0.146 Uiso 1 1 calc R A .
H15F H 0.2548 0.4247 0.4702 0.146 Uiso 1 1 calc R . .
C16C C 0.2368(3) 0.3885(3) 0.4041(3) 0.102(2) Uani 1 1 d . . .
C1D C 0.0328(7) 0.4035(5) -0.0454(11) 0.102(11) Uiso 0.50 1 d PD A 1
C2D C 0.0064(5) 0.4482(4) -0.0563(5) 0.086(4) Uiso 0.50 1 d PD A 1
C3D C 0.0266(6) 0.4919(5) -0.0618(8) 0.099(6) Uiso 0.50 1 d PD A 1
C4D C 0.0801(6) 0.4928(6) -0.0530(8) 0.124(7) Uiso 0.50 1 d PD A 1
C5D C 0.1079(5) 0.4474(5) -0.0483(6) 0.097(4) Uiso 0.50 1 d PD A 1
C6D C -0.0444(6) 0.4501(6) -0.0613(6) 0.102(5) Uiso 0.50 1 d PD A 1
H6D H -0.0604 0.4219 -0.0582 0.122 Uiso 0.50 1 calc PR A 1
C7D C -0.0727(8) 0.4923(6) -0.0706(9) 0.138(7) Uiso 0.50 1 d PD A 1
H7D H -0.1064 0.4911 -0.0721 0.165 Uiso 0.50 1 calc PR A 1
C8D C -0.0546(8) 0.5345(8) -0.0775(13) 0.157(10) Uiso 0.50 1 d PD A 1
H8D H -0.0753 0.5619 -0.0862 0.188 Uiso 0.50 1 calc PR A 1
C9D C -0.0030(6) 0.5349(5) -0.0710(6) 0.122(5) Uiso 0.50 1 d PD A 1
C10D C 0.0252(9) 0.5779(7) -0.0716(11) 0.174(10) Uiso 0.50 1 d PD A 1
H10D H 0.0082 0.6073 -0.0760 0.209 Uiso 0.50 1 calc PR A 1
C11D C 0.0725(9) 0.5770(7) -0.0664(9) 0.192(9) Uiso 0.50 1 d PD A 1
H11D H 0.0887 0.6059 -0.0667 0.231 Uiso 0.50 1 calc PR A 1
C12D C 0.1016(7) 0.5347(6) -0.0601(7) 0.161(7) Uiso 0.50 1 d PD A 1
H12D H 0.1344 0.5350 -0.0607 0.193 Uiso 0.50 1 calc PR A 1
N1D N 0.0845(5) 0.4050(5) -0.0417(5) 0.099(4) Uiso 0.50 1 d PD A 1
O1D O 0.0110(5) 0.3689(4) -0.0329(5) 0.121(5) Uiso 0.50 1 d PD A 1
O2D O 0.1535(5) 0.4485(5) -0.0430(5) 0.151(4) Uiso 0.50 1 d PD A 1
O3D O 0.1763(3) 0.3808(3) 0.1376(3) 0.068(3) Uiso 0.50 1 d PD A 1
O4D O 0.2562(4) 0.3793(4) 0.1371(4) 0.090(3) Uiso 0.50 1 d PD A 1
C13D C 0.1169(6) 0.3611(6) -0.0317(6) 0.116(4) Uiso 0.50 1 d PD A 1
H13G H 0.1398 0.3637 -0.0489 0.140 Uiso 0.50 1 calc PR A 1
H13H H 0.0940 0.3338 -0.0459 0.140 Uiso 0.50 1 calc PR A 1
C14D C 0.1515(8) 0.3520(6) 0.0269(6) 0.147(5) Uiso 0.50 1 d PD A 1
H14G H 0.1294 0.3376 0.0412 0.176 Uiso 0.50 1 calc PR A 1
H14H H 0.1786 0.3290 0.0302 0.176 Uiso 0.50 1 calc PR A 1
C15D C 0.1778(6) 0.3960(5) 0.0584(5) 0.106(4) Uiso 0.50 1 d PD A 1
H15G H 0.1515 0.4204 0.0534 0.127 Uiso 0.50 1 calc PR A 1
H15H H 0.2030 0.4089 0.0469 0.127 Uiso 0.50 1 calc PR A 1
C16D C 0.2063(4) 0.3834(5) 0.1157(4) 0.075(3) Uiso 0.50 1 d PD A 1
C1E C 0.0229(8) 0.4038(5) -0.0442(13) 0.121(13) Uiso 0.50 1 d PD A 2
C2E C -0.0182(7) 0.4368(5) -0.0562(8) 0.124(6) Uiso 0.50 1 d PD A 2
C3E C -0.0099(6) 0.4861(5) -0.0609(6) 0.110(5) Uiso 0.50 1 d PD A 2
C4E C 0.0384(7) 0.5036(7) -0.0582(10) 0.134(9) Uiso 0.50 1 d PD A 2
C5E C 0.0810(6) 0.4706(7) -0.0490(8) 0.126(7) Uiso 0.50 1 d PD A 2
C6E C -0.0652(7) 0.4217(7) -0.0580(7) 0.157(7) Uiso 0.50 1 d PD A 2
H6E H -0.0704 0.3896 -0.0530 0.188 Uiso 0.50 1 calc PR A 2
C7E C -0.1048(8) 0.4547(7) -0.0672(8) 0.191(9) Uiso 0.50 1 d PD A 2
H7E H -0.1361 0.4443 -0.0670 0.229 Uiso 0.50 1 calc PR A 2
C8E C -0.1000(8) 0.5011(8) -0.0766(11) 0.207(12) Uiso 0.50 1 d PD A 2
H8E H -0.1285 0.5216 -0.0847 0.248 Uiso 0.50 1 calc PR A 2
C9E C -0.0541(7) 0.5181(7) -0.0744(12) 0.142(9) Uiso 0.50 1 d PD A 2
C10E C -0.0446(9) 0.5673(7) -0.0800(9) 0.176(9) Uiso 0.50 1 d PD A 2
H10E H -0.0711 0.5898 -0.0863 0.211 Uiso 0.50 1 calc PR A 2
C11E C -0.0004(9) 0.5804(7) -0.0765(9) 0.152(8) Uiso 0.50 1 d PD A 2
H11E H 0.0044 0.6131 -0.0788 0.182 Uiso 0.50 1 calc PR A 2
C12E C 0.0429(9) 0.5505(7) -0.0693(11) 0.211(11) Uiso 0.50 1 d PD A 2
H12E H 0.0726 0.5621 -0.0720 0.253 Uiso 0.50 1 calc PR A 2
N1E N 0.0701(5) 0.4232(5) -0.0411(6) 0.122(6) Uiso 0.50 1 d PD A 2
O1E O 0.0236(5) 0.3585(4) -0.0429(5) 0.111(4) Uiso 0.50 1 d PD A 2
O2E O 0.1267(5) 0.4792(5) -0.0404(5) 0.159(5) Uiso 0.50 1 d PD A 2
C13E C 0.1124(6) 0.3875(6) -0.0312(6) 0.116(4) Uiso 0.50 1 d PD A 2
H13I H 0.1413 0.4023 -0.0359 0.140 Uiso 0.50 1 calc PR A 2
H13J H 0.0991 0.3612 -0.0553 0.140 Uiso 0.50 1 calc PR A 2
C14E C 0.1329(6) 0.3674(7) 0.0253(6) 0.147(5) Uiso 0.50 1 d PD A 2
H14I H 0.1151 0.3838 0.0431 0.176 Uiso 0.50 1 calc PR A 2
H14J H 0.1253 0.3335 0.0245 0.176 Uiso 0.50 1 calc PR A 2
C15E C 0.1909(5) 0.3756(6) 0.0524(5) 0.106(4) Uiso 0.50 1 d PD A 2
H15I H 0.1983 0.4085 0.0472 0.127 Uiso 0.50 1 calc PR A 2
H15J H 0.2083 0.3552 0.0372 0.127 Uiso 0.50 1 calc PR A 2
C16E C 0.2141(4) 0.3658(5) 0.1089(4) 0.075(3) Uiso 0.50 1 d PD A 2
O4E O 0.2620(4) 0.3587(4) 0.1308(4) 0.104(4) Uiso 0.50 1 d PD A 2
O3E O 0.1852(4) 0.3661(3) 0.1324(3) 0.065(3) Uiso 0.50 1 d PD A 2
C21 C 0.3475(2) 0.2985(2) 0.3830(2) 0.0784(18) Uani 1 1 d . A .
H21 H 0.3277 0.3262 0.3786 0.094 Uiso 1 1 calc R . .
C22 C 0.3877(2) 0.2896(2) 0.4306(2) 0.0831(19) Uani 1 1 d . . .
H22 H 0.3946 0.3109 0.4574 0.100 Uiso 1 1 calc R . .
C23 C 0.4173(2) 0.2487(2) 0.4376(2) 0.0791(18) Uani 1 1 d . . .
C24 C 0.4051(2) 0.2195(2) 0.3956(2) 0.0819(19) Uani 1 1 d . . .
H24 H 0.4249 0.1921 0.3982 0.098 Uiso 1 1 calc R . .
C25 C 0.3647(2) 0.2303(2) 0.3508(2) 0.0801(18) Uani 1 1 d . A .
H25 H 0.3566 0.2093 0.3236 0.096 Uiso 1 1 calc R . .
C26 C 0.4605(2) 0.2357(2) 0.4872(2) 0.0852(19) Uani 1 1 d . . .
H26 H 0.4800 0.2086 0.4879 0.102 Uiso 1 1 calc R . .
C27 C 0.4740(2) 0.2588(2) 0.5301(2) 0.0826(18) Uani 1 1 d . . .
H27 H 0.4542 0.2857 0.5296 0.099 Uiso 1 1 calc R . .
C28 C 0.5166(2) 0.2464(2) 0.5784(2) 0.0737(17) Uani 1 1 d . . .
C29 C 0.5239(2) 0.2740(2) 0.6215(2) 0.0802(18) Uani 1 1 d . . .
H29 H 0.5010 0.2989 0.6191 0.096 Uiso 1 1 calc R . .
C30 C 0.5652(2) 0.2634(2) 0.6672(2) 0.0818(18) Uani 1 1 d . . .
H30 H 0.5703 0.2825 0.6952 0.098 Uiso 1 1 calc R . .
C31 C 0.5916(2) 0.2008(2) 0.6327(2) 0.0810(18) Uani 1 1 d . . .
H31 H 0.6144 0.1756 0.6362 0.097 Uiso 1 1 calc R . .
C32 C 0.5511(2) 0.2097(2) 0.5847(2) 0.0817(19) Uani 1 1 d . . .
H32 H 0.5476 0.1907 0.5570 0.098 Uiso 1 1 calc R . .
N2 N 0.33581(17) 0.2697(2) 0.34357(17) 0.0707(13) Uani 1 1 d . . .
N3 N 0.59895(17) 0.22697(18) 0.67382(18) 0.0748(14) Uani 1 1 d . . .
C41 C 0.2181(2) 0.2733(2) 0.3538(2) 0.090(2) Uani 1 1 d . A .
H41A H 0.2499 0.2831 0.3821 0.135 Uiso 1 1 calc R . .
H41B H 0.2195 0.2395 0.3484 0.135 Uiso 1 1 calc R . .
H41C H 0.1886 0.2803 0.3611 0.135 Uiso 1 1 calc R . .
O5 O 0.21293(13) 0.29840(13) 0.30953(13) 0.0687(10) Uani 1 1 d . . .
C42 C 0.3263(2) 0.3801(2) 0.2935(3) 0.102(2) Uani 1 1 d . . .
H42A H 0.3569 0.3599 0.3062 0.153 Uiso 1 1 calc R A .
H42B H 0.3268 0.4004 0.3205 0.153 Uiso 1 1 calc R . .
H42C H 0.3264 0.3995 0.2662 0.153 Uiso 1 1 calc R . .
O6 O 0.28017(13) 0.35117(13) 0.27530(13) 0.0753(11) Uani 1 1 d . . .
C43 C 0.1127(2) 0.3834(2) 0.2185(3) 0.106(2) Uani 1 1 d . . .
H43A H 0.1163 0.4083 0.2426 0.158 Uiso 1 1 calc R A .
H43B H 0.0818 0.3649 0.2123 0.158 Uiso 1 1 calc R . .
H43C H 0.1096 0.3975 0.1871 0.158 Uiso 1 1 calc R . .
O7 O 0.15813(13) 0.35299(13) 0.23850(13) 0.0735(11) Uani 1 1 d . . .
C44 C 0.2181(2) 0.2649(2) 0.1661(2) 0.092(2) Uani 1 1 d . . .
H44A H 0.2437 0.2734 0.1537 0.138 Uiso 1 1 calc R A .
H44B H 0.1835 0.2686 0.1393 0.138 Uiso 1 1 calc R . .
H44C H 0.2233 0.2322 0.1773 0.138 Uiso 1 1 calc R . .
O8 O 0.22388(14) 0.29489(13) 0.20717(13) 0.0755(11) Uani 1 1 d . . .
C45 C 0.0768(4) 0.2319(4) 0.2984(4) 0.179(4) Uiso 1 1 d . A .
H45A H 0.0712 0.2052 0.2759 0.269 Uiso 1 1 calc R . .
H45B H 0.0452 0.2381 0.3026 0.269 Uiso 1 1 calc R . .
H45C H 0.1049 0.2246 0.3310 0.269 Uiso 1 1 calc R . .
O9 O 0.0904(2) 0.27402(18) 0.2770(2) 0.1252(17) Uiso 1 1 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'
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
O7 Cu1 O5 79.28(14) . .
O7 Cu1 O3A 167.77(16) . .
O5 Cu1 O3A 93.31(15) . .
O7 Cu1 N3 96.41(17) . 8_455
O5 Cu1 N3 175.44(18) . 8_455
O3A Cu1 N3 91.19(18) . 8_455
O7 Cu1 O9 98.85(16) . .
O5 Cu1 O9 92.29(16) . .
O3A Cu1 O9 91.09(17) . .
N3 Cu1 O9 86.89(19) 8_455 .
O7 Cu1 O8 79.47(14) . .
O5 Cu1 O8 87.49(13) . .
O3A Cu1 O8 90.59(15) . .
N3 Cu1 O8 93.20(17) 8_455 .
O9 Cu1 O8 178.31(15) . .
O7 Cu1 Cu3 39.24(9) . .
O5 Cu1 Cu3 40.04(11) . .
O3A Cu1 Cu3 132.70(11) . .
N3 Cu1 Cu3 135.61(15) 8_455 .
O9 Cu1 Cu3 96.87(12) . .
O8 Cu1 Cu3 81.89(9) . .
O7 Cu1 Cu2 89.58(10) . .
O5 Cu1 Cu2 51.26(11) . .
O3A Cu1 Cu2 78.21(12) . .
N3 Cu1 Cu2 130.70(15) 8_455 .
O9 Cu1 Cu2 140.47(12) . .
O8 Cu1 Cu2 39.94(8) . .
Cu3 Cu1 Cu2 66.28(2) . .
O7 Cu1 Cu4 44.70(11) . .
O5 Cu1 Cu4 80.62(11) . .
O3A Cu1 Cu4 124.84(13) . .
N3 Cu1 Cu4 97.39(16) 8_455 .
O9 Cu1 Cu4 143.52(12) . .
O8 Cu1 Cu4 34.81(9) . .
Cu3 Cu1 Cu4 55.57(2) . .
Cu2 Cu1 Cu4 55.41(2) . .
O4A Cu2 O8 93.45(16) . .
O4A Cu2 O6 172.22(15) . .
O8 Cu2 O6 79.69(15) . .
O4A Cu2 N2 89.05(19) . .
O8 Cu2 N2 170.55(18) . .
O6 Cu2 N2 98.31(18) . .
O4A Cu2 O5 93.00(15) . .
O8 Cu2 O5 92.20(14) . .
O6 Cu2 O5 83.67(14) . .
N2 Cu2 O5 96.77(17) . .
O4A Cu2 Cu4 132.89(11) . .
O8 Cu2 Cu4 39.93(11) . .
O6 Cu2 Cu4 39.92(10) . .
N2 Cu2 Cu4 138.03(15) . .
O5 Cu2 Cu4 84.51(9) . .
O4A Cu2 Cu1 79.25(12) . .
O8 Cu2 Cu1 55.67(11) . .
O6 Cu2 Cu1 93.75(11) . .
N2 Cu2 Cu1 133.78(14) . .
O5 Cu2 Cu1 40.52(8) . .
Cu4 Cu2 Cu1 68.65(2) . .
O4A Cu2 Cu3 128.38(13) . .
O8 Cu2 Cu3 83.53(12) . .
O6 Cu2 Cu3 47.64(11) . .
N2 Cu2 Cu3 102.03(17) . .
O5 Cu2 Cu3 36.11(9) . .
Cu4 Cu2 Cu3 56.77(2) . .
Cu1 Cu2 Cu3 56.74(2) . .
O3C Cu3 O7 170.85(18) . .
O3C Cu3 O3B 90.01(17) . .
O7 Cu3 O3B 94.73(16) . .
O3C Cu3 O5 96.91(16) . .
O7 Cu3 O5 79.53(15) . .
O3B Cu3 O5 169.56(18) . .
O3C Cu3 O6 97.57(17) . .
O7 Cu3 O6 90.21(14) . .
O3B Cu3 O6 90.58(17) . .
O5 Cu3 O6 80.78(14) . .
O3C Cu3 O4C 49.93(17) . .
O7 Cu3 O4C 121.81(16) . .
O3B Cu3 O4C 93.4(2) . .
O5 Cu3 O4C 97.07(18) . .
O6 Cu3 O4C 147.20(15) . .
O3C Cu3 Cu4 135.08(15) . .
O7 Cu3 Cu4 53.81(11) . .
O3B Cu3 Cu4 78.12(14) . .
O5 Cu3 Cu4 91.47(11) . .
O6 Cu3 Cu4 40.47(8) . .
O4C Cu3 Cu4 169.51(14) . .
O3C Cu3 Cu1 136.17(13) . .
O7 Cu3 Cu1 39.61(11) . .
O3B Cu3 Cu1 133.82(13) . .
O5 Cu3 Cu1 39.93(10) . .
O6 Cu3 Cu1 84.57(8) . .
O4C Cu3 Cu1 114.70(13) . .
Cu4 Cu3 Cu1 68.70(2) . .
O3C Cu3 Cu2 101.51(14) . .
O7 Cu3 Cu2 82.01(11) . .
O3B Cu3 Cu2 126.00(14) . .
O5 Cu3 Cu2 44.91(11) . .
O6 Cu3 Cu2 35.96(9) . .
O4C Cu3 Cu2 133.80(14) . .
Cu4 Cu3 Cu2 56.64(2) . .
Cu1 Cu3 Cu2 56.98(2) . .
O3D Cu4 O4B 84.3(3) . .
O3D Cu4 O6 173.6(3) . .
O4B Cu4 O6 94.54(16) . .
O3D Cu4 O8 102.6(3) . .
O4B Cu4 O8 171.10(18) . .
O6 Cu4 O8 79.19(15) . .
O3D Cu4 O3E 15.6(4) . .
O4B Cu4 O3E 97.1(3) . .
O6 Cu4 O3E 160.9(3) . .
O8 Cu4 O3E 90.7(3) . .
O3D Cu4 O7 95.9(3) . .
O4B Cu4 O7 92.47(16) . .
O6 Cu4 O7 90.43(13) . .
O8 Cu4 O7 81.35(14) . .
O3E Cu4 O7 104.1(3) . .
O3D Cu4 C16D 28.9(3) . .
O4B Cu4 C16D 87.0(3) . .
O6 Cu4 C16D 144.9(3) . .
O8 Cu4 C16D 101.8(3) . .
O3E Cu4 C16D 22.3(3) . .
O7 Cu4 C16D 124.6(3) . .
O3D Cu4 O4D 57.8(3) . .
O4B Cu4 O4D 89.0(3) . .
O6 Cu4 O4D 115.9(2) . .
O8 Cu4 O4D 99.4(3) . .
O3E Cu4 O4D 49.4(3) . .
O7 Cu4 O4D 153.4(2) . .
C16D Cu4 O4D 29.0(2) . .
O3D Cu4 O4E 62.0(3) . .
O4B Cu4 O4E 101.4(3) . .
O6 Cu4 O4E 112.3(2) . .
O8 Cu4 O4E 86.9(3) . .
O3E Cu4 O4E 50.4(3) . .
O7 Cu4 O4E 152.0(2) . .
C16D Cu4 O4E 34.0(4) . .
O4D Cu4 O4E 12.6(3) . .
O3D Cu4 Cu2 142.3(3) . .
O4B Cu4 Cu2 133.34(12) . .
O6 Cu4 Cu2 39.68(11) . .
O8 Cu4 Cu2 39.67(10) . .
O3E Cu4 Cu2 129.3(3) . .
O7 Cu4 Cu2 81.90(9) . .
C16D Cu4 Cu2 133.7(3) . .
O4D Cu4 Cu2 115.7(2) . .
O4E Cu4 Cu2 104.8(2) . .
O3D Cu4 Cu3 131.2(3) . .
O4B Cu4 Cu3 79.48(14) . .
O6 Cu4 Cu3 54.38(11) . .
O8 Cu4 Cu3 91.70(11) . .
O3E Cu4 Cu3 143.0(3) . .
O7 Cu4 Cu3 40.13(8) . .
C16D Cu4 Cu3 158.1(3) . .
O4D Cu4 Cu3 163.7(2) . .
O4E Cu4 Cu3 166.6(2) . .
Cu2 Cu4 Cu3 66.59(2) . .
O3D Cu4 Cu1 103.0(2) . .
O4B Cu4 Cu1 126.46(14) . .
O6 Cu4 Cu1 82.76(11) . .
O8 Cu4 Cu1 46.91(12) . .
O3E Cu4 Cu1 102.2(2) . .
O7 Cu4 Cu1 34.48(9) . .
C16D Cu4 Cu1 123.8(3) . .
O4D Cu4 Cu1 139.9(2) . .
O4E Cu4 Cu1 129.2(2) . .
Cu2 Cu4 Cu1 55.93(2) . .
Cu3 Cu4 Cu1 55.73(2) . .
O1A C1A N1A 119.9(6) . .
O1A C1A C2A 124.6(7) . .
N1A C1A C2A 115.5(7) . .
C6A C2A C3A 119.1(6) . .
C6A C2A C1A 118.5(7) . .
C3A C2A C1A 122.5(7) . .
C2A C3A C4A 119.8(6) . .
C2A C3A C9A 119.3(7) . .
C4A C3A C9A 120.8(6) . .
C12A C4A C3A 119.3(6) . .
C12A C4A C5A 120.6(7) . .
C3A C4A C5A 120.1(6) . .
O2A C5A N1A 120.5(7) . .
O2A C5A C4A 122.4(7) . .
N1A C5A C4A 117.0(7) . .
C2A C6A C7A 121.2(7) . .
C2A C6A H6A 119.4 . .
C7A C6A H6A 119.4 . .
C8A C7A C6A 120.2(8) . .
C8A C7A H7A 119.9 . .
C6A C7A H7A 119.9 . .
C7A C8A C9A 121.2(7) . .
C7A C8A H8A 119.4 . .
C9A C8A H8A 119.4 . .
C8A C9A C10A 125.0(8) . .
C8A C9A C3A 118.8(7) . .
C10A C9A C3A 116.2(7) . .
C11A C10A C9A 122.6(8) . .
C11A C10A H10A 118.7 . .
C9A C10A H10A 118.7 . .
C10A C11A C12A 121.3(8) . .
C10A C11A H11A 119.3 . .
C12A C11A H11A 119.3 . .
C4A C12A C11A 119.8(7) . .
C4A C12A H12A 120.1 . .
C11A C12A H12A 120.1 . .
C5A N1A C1A 124.9(6) . .
C5A N1A C13A 117.4(6) . .
C1A N1A C13A 117.2(6) . .
N1A C13A C14A 109.0(6) . .
N1A C13A H13A 109.9 . .
C14A C13A H13A 109.9 . .
N1A C13A H13B 109.9 . .
C14A C13A H13B 109.9 . .
H13A C13A H13B 108.3 . .
C13A C14A C15A 107.2(5) . .
C13A C14A H14A 110.3 . .
C15A C14A H14A 110.3 . .
C13A C14A H14B 110.3 . .
C15A C14A H14B 110.3 . .
H14A C14A H14B 108.5 . .
C16A C15A C14A 116.5(7) . .
C16A C15A H15A 108.2 . .
C14A C15A H15A 108.2 . .
C16A C15A H15B 108.2 . .
C14A C15A H15B 108.2 . .
H15A C15A H15B 107.3 . .
O4A C16A O3A 128.2(5) . .
O4A C16A C15A 114.4(6) . .
O3A C16A C15A 117.3(7) . .
C16A O3A Cu1 126.6(4) . .
C16A O4A Cu2 127.5(4) . .
O1B C1B N1B 120.1(8) . .
O1B C1B C2B 123.4(10) . .
N1B C1B C2B 116.5(9) . .
C6B C2B C3B 119.2(10) . .
C6B C2B C1B 120.1(10) . .
C3B C2B C1B 120.7(9) . .
C2B C3B C4B 120.1(9) . .
C2B C3B C9B 124.8(13) . .
C4B C3B C9B 115.0(13) . .
C12B C4B C3B 121.1(11) . .
C12B C4B C5B 117.1(12) . .
C3B C4B C5B 121.8(10) . .
O2B C5B N1B 121.1(9) . .
O2B C5B C4B 125.4(11) . .
N1B C5B C4B 113.5(10) . .
C2B C6B C7B 118.3(11) . .
C2B C6B H6B 120.8 . .
C7B C6B H6B 120.8 . .
C8B C7B C6B 118.9(14) . .
C8B C7B H7B 120.5 . .
C6B C7B H7B 120.5 . .
C7B C8B C9B 126.0(16) . .
C7B C8B H8B 117.0 . .
C9B C8B H8B 117.0 . .
C10B C9B C8B 124.8(16) . .
C10B C9B C3B 122.4(14) . .
C8B C9B C3B 112.8(15) . .
C11B C10B C9B 121(2) . .
C11B C10B H10B 119.3 . .
C9B C10B H10B 119.3 . .
C10B C11B C12B 119(2) . .
C10B C11B H11B 120.5 . .
C12B C11B H11B 120.5 . .
C4B C12B C11B 120.8(14) . .
C4B C12B H12B 119.6 . .
C11B C12B H12B 119.6 . .
C1B N1B C5B 127.3(8) . .
C1B N1B C13B 116.4(7) . .
C5B N1B C13B 116.2(8) . .
C16B O3B Cu3 129.0(4) . .
C16B O4B Cu4 127.2(4) . .
N1B C13B C14B 112.0(6) . .
N1B C13B H13C 109.2 . .
C14B C13B H13C 109.2 . .
N1B C13B H13D 109.2 . .
C14B C13B H13D 109.2 . .
H13C C13B H13D 107.9 . .
C15B C14B C13B 110.2(6) . .
C15B C14B H14C 109.6 . .
C13B C14B H14C 109.6 . .
C15B C14B H14D 109.6 . .
C13B C14B H14D 109.6 . .
H14C C14B H14D 108.1 . .
C14B C15B C16B 111.2(5) . .
C14B C15B H15C 109.4 . .
C16B C15B H15C 109.4 . .
C14B C15B H15D 109.4 . .
C16B C15B H15D 109.4 . .
H15C C15B H15D 108.0 . .
O4B C16B O3B 126.0(6) . .
O4B C16B C15B 118.0(6) . .
O3B C16B C15B 116.0(6) . .
O1C C1C N1C 120.7(7) . .
O1C C1C C2C 123.3(8) . .
N1C C1C C2C 116.0(7) . .
C6C C2C C3C 122.6(8) . .
C6C C2C C1C 117.8(9) . .
C3C C2C C1C 119.6(8) . .
C4C C3C C2C 121.2(7) . .
C4C C3C C9C 121.9(10) . .
C2C C3C C9C 116.9(10) . .
C12C C4C C3C 121.0(9) . .
C12C C4C C5C 118.2(10) . .
C3C C4C C5C 120.8(8) . .
O2C C5C N1C 119.7(8) . .
O2C C5C C4C 123.4(9) . .
N1C C5C C4C 116.9(8) . .
C2C C6C C7C 117.6(9) . .
C2C C6C H6C 121.2 . .
C7C C6C H6C 121.2 . .
C8C C7C C6C 122.9(13) . .
C8C C7C H7C 118.6 . .
C6C C7C H7C 118.6 . .
C7C C8C C9C 121.8(14) . .
C7C C8C H8C 119.1 . .
C9C C8C H8C 119.1 . .
C8C C9C C10C 127.0(12) . .
C8C C9C C3C 118.1(11) . .
C10C C9C C3C 114.9(12) . .
C11C C10C C9C 122.1(12) . .
C11C C10C H10C 119.0 . .
C9C C10C H10C 119.0 . .
C10C C11C C12C 121.4(11) . .
C10C C11C H11C 119.3 . .
C12C C11C H11C 119.3 . .
C4C C12C C11C 118.7(10) . .
C4C C12C H12C 120.6 . .
C11C C12C H12C 120.6 . .
C5C N1C C1C 125.5(7) . .
C5C N1C C13C 115.7(7) . .
C1C N1C C13C 118.9(6) . .
C16C O3C Cu3 115.3(5) . .
C16C O4C Cu3 71.0(5) . .
N1C C13C C14C 111.8(5) . .
N1C C13C H13E 109.3 . .
C14C C13C H13E 109.3 . .
N1C C13C H13F 109.3 . .
C14C C13C H13F 109.3 . .
H13E C13C H13F 107.9 . .
C15C C14C C13C 110.6(5) . .
C15C C14C H14E 109.5 . .
C13C C14C H14E 109.5 . .
C15C C14C H14F 109.5 . .
C13C C14C H14F 109.5 . .
H14E C14C H14F 108.1 . .
C16C C15C C14C 116.4(6) . .
C16C C15C H15E 108.2 . .
C14C C15C H15E 108.2 . .
C16C C15C H15F 108.2 . .
C14C C15C H15F 108.2 . .
H15E C15C H15F 107.3 . .
O4C C16C O3C 123.7(7) . .
O4C C16C C15C 119.7(8) . .
O3C C16C C15C 116.6(7) . .
O1D C1D N1D 127.1(14) . .
O1D C1D C2D 117.4(16) . .
N1D C1D C2D 114.6(12) . .
C6D C2D C3D 114.3(11) . .
C6D C2D C1D 118.8(13) . .
C3D C2D C1D 126.9(12) . .
C2D C3D C4D 116.8(13) . .
C2D C3D C9D 122.2(13) . .
C4D C3D C9D 120.7(13) . .
C12D C4D C3D 119.4(15) . .
C12D C4D C5D 120.1(14) . .
C3D C4D C5D 119.0(13) . .
O2D C5D N1D 122.0(13) . .
O2D C5D C4D 118.5(13) . .
N1D C5D C4D 118.6(13) . .
C2D C6D C7D 122.8(15) . .
C2D C6D H6D 118.6 . .
C7D C6D H6D 118.6 . .
C8D C7D C6D 123.8(18) . .
C8D C7D H7D 118.1 . .
C6D C7D H7D 118.1 . .
C7D C8D C9D 115.7(18) . .
C7D C8D H8D 122.2 . .
C9D C8D H8D 122.2 . .
C8D C9D C3D 121.0(15) . .
C8D C9D C10D 123.7(16) . .
C3D C9D C10D 115.2(14) . .
C11D C10D C9D 122.2(19) . .
C11D C10D H10D 118.9 . .
C9D C10D H10D 118.9 . .
C10D C11D C12D 123.7(19) . .
C10D C11D H11D 118.2 . .
C12D C11D H11D 118.2 . .
C4D C12D C11D 117.9(16) . .
C4D C12D H12D 121.1 . .
C11D C12D H12D 121.1 . .
C5D N1D C1D 122.7(13) . .
C5D N1D C13D 116.0(13) . .
C1D N1D C13D 121.3(11) . .
C16D O3D Cu4 102.2(7) . .
C16D O4D Cu4 74.0(7) . .
N1D C13D C14D 113.1(13) . .
N1D C13D H13G 109.0 . .
C14D C13D H13G 109.0 . .
N1D C13D H13H 109.0 . .
C14D C13D H13H 109.0 . .
H13G C13D H13H 107.8 . .
C15D C14D C13D 115.8(13) . .
C15D C14D H14G 108.3 . .
C13D C14D H14G 108.3 . .
C15D C14D H14H 108.3 . .
C13D C14D H14H 108.3 . .
H14G C14D H14H 107.4 . .
C14D C15D C16D 111.0(12) . .
C14D C15D H15G 109.4 . .
C16D C15D H15G 109.4 . .
C14D C15D H15H 109.4 . .
C16D C15D H15H 109.4 . .
H15G C15D H15H 108.0 . .
O3D C16D O4D 125.8(11) . .
O3D C16D C15D 113.9(11) . .
O4D C16D C15D 120.2(11) . .
O3D C16D Cu4 48.9(6) . .
O4D C16D Cu4 77.0(7) . .
C15D C16D Cu4 162.8(9) . .
O1E C1E N1E 112.5(15) . .
O1E C1E C2E 131.7(17) . .
N1E C1E C2E 114.8(13) . .
C6E C2E C1E 119.3(15) . .
C6E C2E C3E 119.5(13) . .
C1E C2E C3E 120.9(14) . .
C2E C3E C4E 121.7(13) . .
C2E C3E C9E 118.2(13) . .
C4E C3E C9E 119.8(13) . .
C12E C4E C3E 120.0(15) . .
C12E C4E C5E 120.1(16) . .
C3E C4E C5E 119.5(14) . .
O2E C5E N1E 116.0(16) . .
O2E C5E C4E 129.0(16) . .
N1E C5E C4E 114.2(14) . .
C2E C6E C7E 119.4(17) . .
C2E C6E H6E 120.3 . .
C7E C6E H6E 120.3 . .
C8E C7E C6E 122.7(18) . .
C8E C7E H7E 118.7 . .
C6E C7E H7E 118.7 . .
C7E C8E C9E 120.4(18) . .
C7E C8E H8E 119.8 . .
C9E C8E H8E 119.8 . .
C8E C9E C10E 123.8(17) . .
C8E C9E C3E 119.3(16) . .
C10E C9E C3E 116.6(14) . .
C11E C10E C9E 119.9(18) . .
C11E C10E H10E 120.1 . .
C9E C10E H10E 120.1 . .
C10E C11E C12E 126.8(19) . .
C10E C11E H11E 116.6 . .
C12E C11E H11E 116.6 . .
C4E C12E C11E 116.1(18) . .
C4E C12E H12E 121.9 . .
C11E C12E H12E 121.9 . .
C1E N1E C5E 128.6(14) . .
C1E N1E C13E 114.3(13) . .
C5E N1E C13E 117.0(13) . .
N1E C13E C14E 110.3(13) . .
N1E C13E H13I 109.6 . .
C14E C13E H13I 109.6 . .
N1E C13E H13J 109.6 . .
C14E C13E H13J 109.6 . .
H13I C13E H13J 108.1 . .
C15E C14E C13E 109.0(13) . .
C15E C14E H14I 109.9 . .
C13E C14E H14I 109.9 . .
C15E C14E H14J 109.9 . .
C13E C14E H14J 109.9 . .
H14I C14E H14J 108.3 . .
C14E C15E C16E 114.5(11) . .
C14E C15E H15I 108.6 . .
C16E C15E H15I 108.6 . .
C14E C15E H15J 108.6 . .
C16E C15E H15J 108.6 . .
H15I C15E H15J 107.6 . .
O4E C16E O3E 122.4(11) . .
O4E C16E C15E 117.3(11) . .
O3E C16E C15E 120.3(11) . .
C16E O4E Cu4 73.0(7) . .
C16E O3E Cu4 113.6(8) . .
N2 C21 C22 123.5(6) . .
N2 C21 H21 118.2 . .
C22 C21 H21 118.2 . .
C23 C22 C21 118.8(6) . .
C23 C22 H22 120.6 . .
C21 C22 H22 120.6 . .
C22 C23 C24 116.8(5) . .
C22 C23 C26 122.8(6) . .
C24 C23 C26 120.4(6) . .
C25 C24 C23 120.6(6) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
N2 C25 C24 123.0(6) . .
N2 C25 H25 118.5 . .
C24 C25 H25 118.5 . .
C27 C26 C23 126.1(6) . .
C27 C26 H26 116.9 . .
C23 C26 H26 116.9 . .
C26 C27 C28 126.1(6) . .
C26 C27 H27 117.0 . .
C28 C27 H27 117.0 . .
C32 C28 C29 117.7(5) . .
C32 C28 C27 123.8(6) . .
C29 C28 C27 118.5(6) . .
C30 C29 C28 118.9(5) . .
C30 C29 H29 120.5 . .
C28 C29 H29 120.5 . .
N3 C30 C29 123.7(6) . .
N3 C30 H30 118.1 . .
C29 C30 H30 118.1 . .
N3 C31 C32 123.0(5) . .
N3 C31 H31 118.5 . .
C32 C31 H31 118.5 . .
C28 C32 C31 119.7(6) . .
C28 C32 H32 120.2 . .
C31 C32 H32 120.2 . .
C21 N2 C25 117.2(5) . .
C21 N2 Cu2 122.2(4) . .
C25 N2 Cu2 120.4(4) . .
C31 N3 C30 116.9(5) . .
C31 N3 Cu1 124.3(4) . 8_556
C30 N3 Cu1 118.8(4) . 8_556
O5 C41 H41A 109.5 . .
O5 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
O5 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C41 O5 Cu1 121.8(3) . .
C41 O5 Cu3 123.2(3) . .
Cu1 O5 Cu3 100.03(16) . .
C41 O5 Cu2 117.4(3) . .
Cu1 O5 Cu2 88.21(14) . .
Cu3 O5 Cu2 98.98(15) . .
O6 C42 H42A 109.5 . .
O6 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
O6 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C42 O6 Cu2 128.6(4) . .
C42 O6 Cu4 117.9(4) . .
Cu2 O6 Cu4 100.40(15) . .
C42 O6 Cu3 118.4(4) . .
Cu2 O6 Cu3 96.40(15) . .
Cu4 O6 Cu3 85.15(13) . .
O7 C43 H43A 109.5 . .
O7 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
O7 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C43 O7 Cu3 117.4(4) . .
C43 O7 Cu1 125.7(4) . .
Cu3 O7 Cu1 101.16(16) . .
C43 O7 Cu4 117.7(4) . .
Cu3 O7 Cu4 86.06(13) . .
Cu1 O7 Cu4 100.82(16) . .
O8 C44 H44A 109.5 . .
O8 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
O8 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C44 O8 Cu2 122.2(4) . .
C44 O8 Cu4 126.4(4) . .
Cu2 O8 Cu4 100.39(16) . .
C44 O8 Cu1 115.3(3) . .
Cu2 O8 Cu1 84.39(14) . .
Cu4 O8 Cu1 98.28(16) . .
O9 C45 H45A 109.5 . .
O9 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
O9 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C45 O9 Cu1 129.5(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O7 1.955(4) .
Cu1 O5 1.961(3) .
Cu1 O3A 1.980(4) .
Cu1 N3 1.983(4) 8_455
Cu1 O9 2.492(5) .
Cu1 O8 2.504(4) .
Cu1 Cu3 3.0089(10) .
Cu1 Cu2 3.0171(10) .
Cu1 Cu4 3.3923(10) .
Cu2 O4A 1.943(4) .
Cu2 O8 1.946(3) .
Cu2 O6 1.947(4) .
Cu2 N2 1.999(4) .
Cu2 O5 2.355(4) .
Cu2 Cu4 2.9984(10) .
Cu2 Cu3 3.2944(11) .
Cu3 O3C 1.926(4) .
Cu3 O7 1.940(3) .
Cu3 O3B 1.952(5) .
Cu3 O5 1.966(4) .
Cu3 O6 2.450(4) .
Cu3 O4C 2.847(6) .
Cu3 Cu4 3.0030(11) .
Cu4 O3D 1.953(9) .
Cu4 O4B 1.955(5) .
Cu4 O6 1.956(3) .
Cu4 O8 1.957(4) .
Cu4 O3E 1.979(9) .
Cu4 O7 2.429(4) .
Cu4 C16D 2.534(11) .
Cu4 O4D 2.569(10) .
Cu4 O4E 2.830(11) .
C1A O1A 1.223(7) .
C1A N1A 1.401(8) .
C1A C2A 1.431(8) .
C2A C6A 1.363(8) .
C2A C3A 1.392(8) .
C3A C4A 1.407(8) .
C3A C9A 1.429(8) .
C4A C12A 1.355(8) .
C4A C5A 1.438(9) .
C5A O2A 1.223(7) .
C5A N1A 1.400(8) .
C6A C7A 1.393(9) .
C6A H6A 0.9300 .
C7A C8A 1.340(10) .
C7A H7A 0.9300 .
C8A C9A 1.375(9) .
C8A H8A 0.9300 .
C9A C10A 1.398(9) .
C10A C11A 1.320(9) .
C10A H10A 0.9300 .
C11A C12A 1.406(9) .
C11A H11A 0.9300 .
C12A H12A 0.9300 .
N1A C13A 1.483(11) .
C13A C14A 1.503(5) .
C13A H13A 0.9700 .
C13A H13B 0.9700 .
C14A C15A 1.556(5) .
C14A H14A 0.9700 .
C14A H14B 0.9700 .
C15A C16A 1.524(5) .
C15A H15A 0.9700 .
C15A H15B 0.9700 .
C16A O4A 1.239(7) .
C16A O3A 1.267(7) .
C1B O1B 1.211(9) .
C1B N1B 1.388(10) .
C1B C2B 1.443(11) .
C2B C6B 1.392(11) .
C2B C3B 1.397(11) .
C3B C4B 1.403(11) .
C3B C9B 1.429(14) .
C4B C12B 1.387(12) .
C4B C5B 1.480(13) .
C5B O2B 1.200(11) .
C5B N1B 1.398(10) .
C6B C7B 1.438(14) .
C6B H6B 0.9300 .
C7B C8B 1.379(16) .
C7B H7B 0.9300 .
C8B C9B 1.387(17) .
C8B H8B 0.9300 .
C9B C10B 1.379(18) .
C10B C11B 1.32(2) .
C10B H10B 0.9300 .
C11B C12B 1.415(19) .
C11B H11B 0.9300 .
C12B H12B 0.9300 .
N1B C13B 1.485(8) .
O3B C16B 1.261(7) .
O4B C16B 1.258(7) .
C13B C14B 1.535(8) .
C13B H13C 0.9700 .
C13B H13D 0.9700 .
C14B C15B 1.523(8) .
C14B H14C 0.9700 .
C14B H14D 0.9700 .
C15B C16B 1.527(8) .
C15B H15C 0.9700 .
C15B H15D 0.9700 .
C1C O1C 1.209(7) .
C1C N1C 1.379(8) .
C1C C2C 1.497(10) .
C2C C6C 1.358(9) .
C2C C3C 1.386(9) .
C3C C4C 1.377(9) .
C3C C9C 1.442(11) .
C4C C12C 1.353(10) .
C4C C5C 1.457(10) .
C5C O2C 1.230(8) .
C5C N1C 1.375(9) .
C6C C7C 1.397(13) .
C6C H6C 0.9300 .
C7C C8C 1.281(14) .
C7C H7C 0.9300 .
C8C C9C 1.393(14) .
C8C H8C 0.9300 .
C9C C10C 1.395(13) .
C10C C11C 1.370(13) .
C10C H10C 0.9300 .
C11C C12C 1.395(14) .
C11C H11C 0.9300 .
C12C H12C 0.9300 .
N1C C13C 1.483(8) .
O3C C16C 1.249(8) .
O4C C16C 1.223(8) .
C13C C14C 1.539(8) .
C13C H13E 0.9700 .
C13C H13F 0.9700 .
C14C C15C 1.513(9) .
C14C H14E 0.9700 .
C14C H14F 0.9700 .
C15C C16C 1.508(9) .
C15C H15E 0.9700 .
C15C H15F 0.9700 .
C1D O1D 1.279(13) .
C1D N1D 1.409(15) .
C1D C2D 1.416(13) .
C2D C6D 1.375(15) .
C2D C3D 1.384(14) .
C3D C4D 1.415(16) .
C3D C9D 1.421(14) .
C4D C12D 1.371(15) .
C4D C5D 1.465(16) .
C5D O2D 1.226(13) .
C5D N1D 1.407(13) .
C6D C7D 1.382(14) .
C6D H6D 0.9300 .
C7D C8D 1.335(19) .
C7D H7D 0.9300 .
C8D C9D 1.381(17) .
C8D H8D 0.9300 .
C9D C10D 1.442(17) .
C10D C11D 1.273(17) .
C10D H10D 0.9300 .
C11D C12D 1.404(17) .
C11D H11D 0.9300 .
C12D H12D 0.9300 .
N1D C13D 1.480(13) .
O3D C16D 1.253(10) .
O4D C16D 1.276(10) .
C13D C14D 1.577(12) .
C13D H13G 0.9700 .
C13D H13H 0.9700 .
C14D C15D 1.523(12) .
C14D H14G 0.9700 .
C14D H14H 0.9700 .
C15D C16D 1.548(11) .
C15D H15G 0.9700 .
C15D H15H 0.9700 .
C1E O1E 1.265(13) .
C1E N1E 1.400(15) .
C1E C2E 1.402(14) .
C2E C6E 1.366(16) .
C2E C3E 1.413(14) .
C3E C4E 1.414(16) .
C3E C9E 1.443(15) .
C4E C12E 1.369(16) .
C4E C5E 1.445(16) .
C5E O2E 1.223(14) .
C5E N1E 1.401(14) .
C6E C7E 1.380(15) .
C6E H6E 0.9300 .
C7E C8E 1.344(18) .
C7E H7E 0.9300 .
C8E C9E 1.350(18) .
C8E H8E 0.9300 .
C9E C10E 1.423(18) .
C10E C11E 1.257(16) .
C10E H10E 0.9300 .
C11E C12E 1.416(18) .
C11E H11E 0.9300 .
C12E H12E 0.9300 .
N1E C13E 1.484(13) .
C13E C14E 1.589(12) .
C13E H13I 0.9700 .
C13E H13J 0.9700 .
C14E C15E 1.497(12) .
C14E H14I 0.9700 .
C14E H14J 0.9700 .
C15E C16E 1.508(11) .
C15E H15I 0.9700 .
C15E H15J 0.9700 .
C16E O4E 1.238(10) .
C16E O3E 1.261(10) .
C21 N2 1.318(7) .
C21 C22 1.386(7) .
C21 H21 0.9300 .
C22 C23 1.375(8) .
C22 H22 0.9300 .
C23 C24 1.384(7) .
C23 C26 1.480(8) .
C24 C25 1.347(7) .
C24 H24 0.9300 .
C25 N2 1.330(7) .
C25 H25 0.9300 .
C26 C27 1.307(8) .
C26 H26 0.9300 .
C27 C28 1.446(7) .
C27 H27 0.9300 .
C28 C32 1.371(7) .
C28 C29 1.406(8) .
C29 C30 1.373(7) .
C29 H29 0.9300 .
C30 N3 1.348(7) .
C30 H30 0.9300 .
C31 N3 1.337(7) .
C31 C32 1.395(7) .
C31 H31 0.9300 .
C32 H32 0.9300 .
N3 Cu1 1.983(4) 8_556
C41 O5 1.415(6) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 O6 1.426(6) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 O7 1.436(7) .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 O8 1.408(6) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 O9 1.457(9) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
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_4
O7 Cu1 Cu2 O4A -175.74(16) . .
O5 Cu1 Cu2 O4A 107.71(18) . .
O3A Cu1 Cu2 O4A 3.64(17) . .
N3 Cu1 Cu2 O4A -77.6(2) 8_455 .
O9 Cu1 Cu2 O4A 80.8(2) . .
O8 Cu1 Cu2 O4A -101.77(18) . .
Cu3 Cu1 Cu2 O4A 151.69(12) . .
Cu4 Cu1 Cu2 O4A -144.88(12) . .
O7 Cu1 Cu2 O8 -73.98(17) . .
O5 Cu1 Cu2 O8 -150.5(2) . .
O3A Cu1 Cu2 O8 105.41(18) . .
N3 Cu1 Cu2 O8 24.1(2) 8_455 .
O9 Cu1 Cu2 O8 -177.4(2) . .
Cu3 Cu1 Cu2 O8 -106.54(14) . .
Cu4 Cu1 Cu2 O8 -43.11(14) . .
O7 Cu1 Cu2 O6 0.83(15) . .
O5 Cu1 Cu2 O6 -75.71(17) . .
O3A Cu1 Cu2 O6 -179.78(16) . .
N3 Cu1 Cu2 O6 98.9(2) 8_455 .
O9 Cu1 Cu2 O6 -102.6(2) . .
O8 Cu1 Cu2 O6 74.81(17) . .
Cu3 Cu1 Cu2 O6 -31.73(11) . .
Cu4 Cu1 Cu2 O6 31.70(11) . .
O7 Cu1 Cu2 N2 106.1(2) . .
O5 Cu1 Cu2 N2 29.6(3) . .
O3A Cu1 Cu2 N2 -74.5(3) . .
N3 Cu1 Cu2 N2 -155.8(3) 8_455 .
O9 Cu1 Cu2 N2 2.6(3) . .
O8 Cu1 Cu2 N2 -179.9(3) . .
Cu3 Cu1 Cu2 N2 73.5(2) . .
Cu4 Cu1 Cu2 N2 137.0(2) . .
O7 Cu1 Cu2 O5 76.54(17) . .
O3A Cu1 Cu2 O5 -104.07(18) . .
N3 Cu1 Cu2 O5 174.6(2) 8_455 .
O9 Cu1 Cu2 O5 -26.9(2) . .
O8 Cu1 Cu2 O5 150.5(2) . .
Cu3 Cu1 Cu2 O5 43.98(14) . .
Cu4 Cu1 Cu2 O5 107.41(14) . .
O7 Cu1 Cu2 Cu4 -30.87(10) . .
O5 Cu1 Cu2 Cu4 -107.41(14) . .
O3A Cu1 Cu2 Cu4 148.52(12) . .
N3 Cu1 Cu2 Cu4 67.2(2) 8_455 .
O9 Cu1 Cu2 Cu4 -134.33(19) . .
O8 Cu1 Cu2 Cu4 43.11(14) . .
Cu3 Cu1 Cu2 Cu4 -63.43(3) . .
O7 Cu1 Cu2 Cu3 32.56(10) . .
O5 Cu1 Cu2 Cu3 -43.98(14) . .
O3A Cu1 Cu2 Cu3 -148.05(12) . .
N3 Cu1 Cu2 Cu3 130.7(2) 8_455 .
O9 Cu1 Cu2 Cu3 -70.90(19) . .
O8 Cu1 Cu2 Cu3 106.54(14) . .
Cu4 Cu1 Cu2 Cu3 63.43(3) . .
O7 Cu1 Cu3 O3C 167.8(3) . .
O5 Cu1 Cu3 O3C -13.2(3) . .
O3A Cu1 Cu3 O3C -25.7(3) . .
N3 Cu1 Cu3 O3C 164.8(3) 8_455 .
O9 Cu1 Cu3 O3C 72.2(3) . .
O8 Cu1 Cu3 O3C -109.0(2) . .
Cu2 Cu1 Cu3 O3C -70.5(2) . .
Cu4 Cu1 Cu3 O3C -133.7(2) . .
O5 Cu1 Cu3 O7 179.0(2) . .
O3A Cu1 Cu3 O7 166.5(2) . .
N3 Cu1 Cu3 O7 -3.0(3) 8_455 .
O9 Cu1 Cu3 O7 -95.6(2) . .
O8 Cu1 Cu3 O7 83.26(19) . .
Cu2 Cu1 Cu3 O7 121.69(18) . .
Cu4 Cu1 Cu3 O7 58.47(18) . .
O7 Cu1 Cu3 O3B -11.3(3) . .
O5 Cu1 Cu3 O3B 167.7(3) . .
O3A Cu1 Cu3 O3B 155.2(3) . .
N3 Cu1 Cu3 O3B -14.4(3) 8_455 .
O9 Cu1 Cu3 O3B -106.9(2) . .
O8 Cu1 Cu3 O3B 71.9(2) . .
Cu2 Cu1 Cu3 O3B 110.35(19) . .
Cu4 Cu1 Cu3 O3B 47.13(19) . .
O7 Cu1 Cu3 O5 -179.0(2) . .
O3A Cu1 Cu3 O5 -12.5(2) . .
N3 Cu1 Cu3 O5 177.9(3) 8_455 .
O9 Cu1 Cu3 O5 85.4(2) . .
O8 Cu1 Cu3 O5 -95.78(18) . .
Cu2 Cu1 Cu3 O5 -57.35(16) . .
Cu4 Cu1 Cu3 O5 -120.57(17) . .
O7 Cu1 Cu3 O6 -96.93(19) . .
O5 Cu1 Cu3 O6 82.12(18) . .
O3A Cu1 Cu3 O6 69.59(19) . .
N3 Cu1 Cu3 O6 -99.9(2) 8_455 .
O9 Cu1 Cu3 O6 167.48(15) . .
O8 Cu1 Cu3 O6 -13.67(12) . .
Cu2 Cu1 Cu3 O6 24.77(9) . .
Cu4 Cu1 Cu3 O6 -38.45(9) . .
O7 Cu1 Cu3 O4C 110.7(2) . .
O5 Cu1 Cu3 O4C -70.2(2) . .
O3A Cu1 Cu3 O4C -82.7(2) . .
N3 Cu1 Cu3 O4C 107.7(3) 8_455 .
O9 Cu1 Cu3 O4C 15.15(19) . .
O8 Cu1 Cu3 O4C -166.00(17) . .
Cu2 Cu1 Cu3 O4C -127.57(15) . .
Cu4 Cu1 Cu3 O4C 169.21(15) . .
O7 Cu1 Cu3 Cu4 -58.47(18) . .
O5 Cu1 Cu3 Cu4 120.57(17) . .
O3A Cu1 Cu3 Cu4 108.04(17) . .
N3 Cu1 Cu3 Cu4 -61.5(2) 8_455 .
O9 Cu1 Cu3 Cu4 -154.06(12) . .
O8 Cu1 Cu3 Cu4 24.79(8) . .
Cu2 Cu1 Cu3 Cu4 63.22(2) . .
O7 Cu1 Cu3 Cu2 -121.69(18) . .
O5 Cu1 Cu3 Cu2 57.35(16) . .
O3A Cu1 Cu3 Cu2 44.83(17) . .
N3 Cu1 Cu3 Cu2 -124.7(2) 8_455 .
O9 Cu1 Cu3 Cu2 142.72(12) . .
O8 Cu1 Cu3 Cu2 -38.43(8) . .
Cu4 Cu1 Cu3 Cu2 -63.22(2) . .
O4A Cu2 Cu3 O3C 101.7(2) . .
O8 Cu2 Cu3 O3C -168.97(18) . .
O6 Cu2 Cu3 O3C -87.04(19) . .
N2 Cu2 Cu3 O3C 3.3(2) . .
O5 Cu2 Cu3 O3C 88.3(2) . .
Cu4 Cu2 Cu3 O3C -136.99(14) . .
Cu1 Cu2 Cu3 O3C 138.22(14) . .
O4A Cu2 Cu3 O7 -69.68(18) . .
O8 Cu2 Cu3 O7 19.60(16) . .
O6 Cu2 Cu3 O7 101.53(17) . .
N2 Cu2 Cu3 O7 -168.14(18) . .
O5 Cu2 Cu3 O7 -83.16(17) . .
Cu4 Cu2 Cu3 O7 51.58(11) . .
Cu1 Cu2 Cu3 O7 -33.21(11) . .
O4A Cu2 Cu3 O3B -159.7(2) . .
O8 Cu2 Cu3 O3B -70.45(18) . .
O6 Cu2 Cu3 O3B 11.5(2) . .
N2 Cu2 Cu3 O3B 101.8(2) . .
O5 Cu2 Cu3 O3B -173.2(2) . .
Cu4 Cu2 Cu3 O3B -38.47(15) . .
Cu1 Cu2 Cu3 O3B -123.27(15) . .
O4A Cu2 Cu3 O5 13.5(2) . .
O8 Cu2 Cu3 O5 102.77(18) . .
O6 Cu2 Cu3 O5 -175.31(19) . .
N2 Cu2 Cu3 O5 -84.98(19) . .
Cu4 Cu2 Cu3 O5 134.75(14) . .
Cu1 Cu2 Cu3 O5 49.95(14) . .
O4A Cu2 Cu3 O6 -171.21(19) . .
O8 Cu2 Cu3 O6 -81.93(17) . .
N2 Cu2 Cu3 O6 90.33(19) . .
O5 Cu2 Cu3 O6 175.31(19) . .
Cu4 Cu2 Cu3 O6 -49.95(13) . .
Cu1 Cu2 Cu3 O6 -134.74(13) . .
O4A Cu2 Cu3 O4C 57.4(2) . .
O8 Cu2 Cu3 O4C 146.7(2) . .
O6 Cu2 Cu3 O4C -131.4(2) . .
N2 Cu2 Cu3 O4C -41.1(2) . .
O5 Cu2 Cu3 O4C 43.9(2) . .
Cu4 Cu2 Cu3 O4C 178.65(16) . .
Cu1 Cu2 Cu3 O4C 93.86(16) . .
O4A Cu2 Cu3 Cu4 -121.26(14) . .
O8 Cu2 Cu3 Cu4 -31.98(11) . .
O6 Cu2 Cu3 Cu4 49.95(13) . .
N2 Cu2 Cu3 Cu4 140.28(14) . .
O5 Cu2 Cu3 Cu4 -134.75(14) . .
Cu1 Cu2 Cu3 Cu4 -84.80(3) . .
O4A Cu2 Cu3 Cu1 -36.47(14) . .
O8 Cu2 Cu3 Cu1 52.82(11) . .
O6 Cu2 Cu3 Cu1 134.74(13) . .
N2 Cu2 Cu3 Cu1 -134.93(14) . .
O5 Cu2 Cu3 Cu1 -49.95(14) . .
Cu4 Cu2 Cu3 Cu1 84.80(3) . .
O4A Cu2 Cu4 O3D -14.0(4) . .
O8 Cu2 Cu4 O3D -3.0(4) . .
O6 Cu2 Cu4 O3D 170.3(4) . .
N2 Cu2 Cu4 O3D 162.9(5) . .
O5 Cu2 Cu4 O3D -103.0(4) . .
Cu1 Cu2 Cu4 O3D -64.5(4) . .
Cu3 Cu2 Cu4 O3D -127.9(4) . .
O4A Cu2 Cu4 O4B 160.9(2) . .
O8 Cu2 Cu4 O4B 171.9(3) . .
O6 Cu2 Cu4 O4B -14.8(3) . .
N2 Cu2 Cu4 O4B -22.2(3) . .
O5 Cu2 Cu4 O4B 71.9(2) . .
Cu1 Cu2 Cu4 O4B 110.38(18) . .
Cu3 Cu2 Cu4 O4B 46.99(18) . .
O4A Cu2 Cu4 O6 175.7(2) . .
O8 Cu2 Cu4 O6 -173.2(3) . .
N2 Cu2 Cu4 O6 -7.3(3) . .
O5 Cu2 Cu4 O6 86.69(19) . .
Cu1 Cu2 Cu4 O6 125.21(18) . .
Cu3 Cu2 Cu4 O6 61.82(17) . .
O4A Cu2 Cu4 O8 -11.1(2) . .
O6 Cu2 Cu4 O8 173.2(3) . .
N2 Cu2 Cu4 O8 165.9(3) . .
O5 Cu2 Cu4 O8 -100.1(2) . .
Cu1 Cu2 Cu4 O8 -61.55(18) . .
Cu3 Cu2 Cu4 O8 -124.93(18) . .
O4A Cu2 Cu4 O3E -26.5(4) . .
O8 Cu2 Cu4 O3E -15.4(4) . .
O6 Cu2 Cu4 O3E 157.8(4) . .
N2 Cu2 Cu4 O3E 150.5(4) . .
O5 Cu2 Cu4 O3E -115.5(4) . .
Cu1 Cu2 Cu4 O3E -77.0(3) . .
Cu3 Cu2 Cu4 O3E -140.4(3) . .
O4A Cu2 Cu4 O7 75.1(2) . .
O8 Cu2 Cu4 O7 86.19(19) . .
O6 Cu2 Cu4 O7 -100.56(19) . .
N2 Cu2 Cu4 O7 -107.9(2) . .
O5 Cu2 Cu4 O7 -13.87(12) . .
Cu1 Cu2 Cu4 O7 24.65(8) . .
Cu3 Cu2 Cu4 O7 -38.74(8) . .
O4A Cu2 Cu4 C16D -55.9(4) . .
O8 Cu2 Cu4 C16D -44.9(4) . .
O6 Cu2 Cu4 C16D 128.4(4) . .
N2 Cu2 Cu4 C16D 121.0(4) . .
O5 Cu2 Cu4 C16D -144.9(4) . .
Cu1 Cu2 Cu4 C16D -106.4(4) . .
Cu3 Cu2 Cu4 C16D -169.8(4) . .
O4A Cu2 Cu4 O4D -83.9(3) . .
O8 Cu2 Cu4 O4D -72.9(3) . .
O6 Cu2 Cu4 O4D 100.4(3) . .
N2 Cu2 Cu4 O4D 93.0(3) . .
O5 Cu2 Cu4 O4D -172.9(2) . .
Cu1 Cu2 Cu4 O4D -134.4(2) . .
Cu3 Cu2 Cu4 O4D 162.2(2) . .
O4A Cu2 Cu4 O4E -77.1(3) . .
O8 Cu2 Cu4 O4E -66.0(3) . .
O6 Cu2 Cu4 O4E 107.2(3) . .
N2 Cu2 Cu4 O4E 99.9(3) . .
O5 Cu2 Cu4 O4E -166.1(2) . .
Cu1 Cu2 Cu4 O4E -127.6(2) . .
Cu3 Cu2 Cu4 O4E 169.0(2) . .
O4A Cu2 Cu4 Cu3 113.87(18) . .
O8 Cu2 Cu4 Cu3 124.93(18) . .
O6 Cu2 Cu4 Cu3 -61.82(17) . .
N2 Cu2 Cu4 Cu3 -69.2(2) . .
O5 Cu2 Cu4 Cu3 24.87(8) . .
Cu1 Cu2 Cu4 Cu3 63.39(2) . .
O4A Cu2 Cu4 Cu1 50.48(18) . .
O8 Cu2 Cu4 Cu1 61.55(18) . .
O6 Cu2 Cu4 Cu1 -125.21(18) . .
N2 Cu2 Cu4 Cu1 -132.6(2) . .
O5 Cu2 Cu4 Cu1 -38.52(8) . .
Cu3 Cu2 Cu4 Cu1 -63.39(2) . .
O3C Cu3 Cu4 O3D -148.7(4) . .
O7 Cu3 Cu4 O3D 34.1(4) . .
O3B Cu3 Cu4 O3D -70.9(4) . .
O5 Cu3 Cu4 O3D 110.0(4) . .
O6 Cu3 Cu4 O3D -176.1(4) . .
O4C Cu3 Cu4 O3D -34.6(8) . .
Cu1 Cu3 Cu4 O3D 76.4(4) . .
Cu2 Cu3 Cu4 O3D 140.1(4) . .
O3C Cu3 Cu4 O4B -76.0(2) . .
O7 Cu3 Cu4 O4B 106.76(18) . .
O3B Cu3 Cu4 O4B 1.79(17) . .
O5 Cu3 Cu4 O4B -177.36(15) . .
O6 Cu3 Cu4 O4B -103.43(18) . .
O4C Cu3 Cu4 O4B 38.1(7) . .
Cu1 Cu3 Cu4 O4B 149.08(12) . .
Cu2 Cu3 Cu4 O4B -147.25(12) . .
O3C Cu3 Cu4 O6 27.4(2) . .
O7 Cu3 Cu4 O6 -149.8(2) . .
O3B Cu3 Cu4 O6 105.22(18) . .
O5 Cu3 Cu4 O6 -73.93(16) . .
O4C Cu3 Cu4 O6 141.5(7) . .
Cu1 Cu3 Cu4 O6 -107.49(13) . .
Cu2 Cu3 Cu4 O6 -43.82(13) . .
O3C Cu3 Cu4 O8 102.8(2) . .
O7 Cu3 Cu4 O8 -74.41(17) . .
O3B Cu3 Cu4 O8 -179.38(16) . .
O5 Cu3 Cu4 O8 1.47(14) . .
O6 Cu3 Cu4 O8 75.40(17) . .
O4C Cu3 Cu4 O8 -143.1(7) . .
Cu1 Cu3 Cu4 O8 -32.09(10) . .
Cu2 Cu3 Cu4 O8 31.58(10) . .
O3C Cu3 Cu4 O3E -163.8(5) . .
O7 Cu3 Cu4 O3E 19.0(4) . .
O3B Cu3 Cu4 O3E -86.0(4) . .
O5 Cu3 Cu4 O3E 94.8(4) . .
O6 Cu3 Cu4 O3E 168.8(5) . .
O4C Cu3 Cu4 O3E -49.7(8) . .
Cu1 Cu3 Cu4 O3E 61.3(4) . .
Cu2 Cu3 Cu4 O3E 124.9(4) . .
O3C Cu3 Cu4 O7 177.2(2) . .
O3B Cu3 Cu4 O7 -104.97(18) . .
O5 Cu3 Cu4 O7 75.88(17) . .
O6 Cu3 Cu4 O7 149.8(2) . .
O4C Cu3 Cu4 O7 -68.7(7) . .
Cu1 Cu3 Cu4 O7 42.32(14) . .
Cu2 Cu3 Cu4 O7 105.99(14) . .
O3C Cu3 Cu4 C16D -128.9(8) . .
O7 Cu3 Cu4 C16D 53.9(8) . .
O3B Cu3 Cu4 C16D -51.0(8) . .
O5 Cu3 Cu4 C16D 129.8(8) . .
O6 Cu3 Cu4 C16D -156.3(8) . .
O4C Cu3 Cu4 C16D -14.7(10) . .
Cu1 Cu3 Cu4 C16D 96.3(8) . .
Cu2 Cu3 Cu4 C16D 159.9(8) . .
O3C Cu3 Cu4 O4D -30.5(9) . .
O7 Cu3 Cu4 O4D 152.3(9) . .
O3B Cu3 Cu4 O4D 47.4(9) . .
O5 Cu3 Cu4 O4D -131.8(9) . .
O6 Cu3 Cu4 O4D -57.9(9) . .
O4C Cu3 Cu4 O4D 83.7(11) . .
Cu1 Cu3 Cu4 O4D -165.3(9) . .
Cu2 Cu3 Cu4 O4D -101.7(9) . .
O3C Cu3 Cu4 O4E 18.9(10) . .
O7 Cu3 Cu4 O4E -158.3(10) . .
O3B Cu3 Cu4 O4E 96.7(10) . .
O5 Cu3 Cu4 O4E -82.4(10) . .
O6 Cu3 Cu4 O4E -8.5(10) . .
O4C Cu3 Cu4 O4E 133.0(12) . .
Cu1 Cu3 Cu4 O4E -116.0(10) . .
Cu2 Cu3 Cu4 O4E -52.3(10) . .
O3C Cu3 Cu4 Cu2 71.21(18) . .
O7 Cu3 Cu4 Cu2 -105.99(14) . .
O3B Cu3 Cu4 Cu2 149.04(12) . .
O5 Cu3 Cu4 Cu2 -30.10(10) . .
O6 Cu3 Cu4 Cu2 43.82(13) . .
O4C Cu3 Cu4 Cu2 -174.7(7) . .
Cu1 Cu3 Cu4 Cu2 -63.67(2) . .
O3C Cu3 Cu4 Cu1 134.88(18) . .
O7 Cu3 Cu4 Cu1 -42.32(14) . .
O3B Cu3 Cu4 Cu1 -147.29(12) . .
O5 Cu3 Cu4 Cu1 33.56(10) . .
O6 Cu3 Cu4 Cu1 107.49(13) . .
O4C Cu3 Cu4 Cu1 -111.0(7) . .
Cu2 Cu3 Cu4 Cu1 63.67(2) . .
O7 Cu1 Cu4 O3D -81.3(3) . .
O5 Cu1 Cu4 O3D -165.5(3) . .
O3A Cu1 Cu4 O3D 107.0(3) . .
N3 Cu1 Cu4 O3D 10.3(3) 8_455 .
O9 Cu1 Cu4 O3D -84.5(4) . .
O8 Cu1 Cu4 O3D 95.3(3) . .
Cu3 Cu1 Cu4 O3D -131.4(3) . .
Cu2 Cu1 Cu4 O3D 145.5(3) . .
O7 Cu1 Cu4 O4B 11.1(2) . .
O5 Cu1 Cu4 O4B -73.07(18) . .
O3A Cu1 Cu4 O4B -160.6(2) . .
N3 Cu1 Cu4 O4B 102.8(2) 8_455 .
O9 Cu1 Cu4 O4B 8.0(3) . .
O8 Cu1 Cu4 O4B -172.3(2) . .
Cu3 Cu1 Cu4 O4B -38.91(15) . .
Cu2 Cu1 Cu4 O4B -122.04(15) . .
O7 Cu1 Cu4 O6 101.44(18) . .
O5 Cu1 Cu4 O6 17.24(16) . .
O3A Cu1 Cu4 O6 -70.25(18) . .
N3 Cu1 Cu4 O6 -166.90(18) 8_455 .
O9 Cu1 Cu4 O6 98.3(2) . .
O8 Cu1 Cu4 O6 -81.96(18) . .
Cu3 Cu1 Cu4 O6 51.40(12) . .
Cu2 Cu1 Cu4 O6 -31.73(11) . .
O7 Cu1 Cu4 O8 -176.60(19) . .
O5 Cu1 Cu4 O8 99.20(17) . .
O3A Cu1 Cu4 O8 11.71(19) . .
N3 Cu1 Cu4 O8 -84.9(2) 8_455 .
O9 Cu1 Cu4 O8 -179.7(2) . .
Cu3 Cu1 Cu4 O8 133.36(14) . .
Cu2 Cu1 Cu4 O8 50.23(14) . .
O7 Cu1 Cu4 O3E -97.3(3) . .
O5 Cu1 Cu4 O3E 178.5(3) . .
O3A Cu1 Cu4 O3E 91.0(3) . .
N3 Cu1 Cu4 O3E -5.6(3) 8_455 .
O9 Cu1 Cu4 O3E -100.4(4) . .
O8 Cu1 Cu4 O3E 79.3(3) . .
Cu3 Cu1 Cu4 O3E -147.3(3) . .
Cu2 Cu1 Cu4 O3E 129.6(3) . .
O5 Cu1 Cu4 O7 -84.20(17) . .
O3A Cu1 Cu4 O7 -171.69(19) . .
N3 Cu1 Cu4 O7 91.7(2) 8_455 .
O9 Cu1 Cu4 O7 -3.1(2) . .
O8 Cu1 Cu4 O7 176.60(19) . .
Cu3 Cu1 Cu4 O7 -50.04(13) . .
Cu2 Cu1 Cu4 O7 -133.17(14) . .
O7 Cu1 Cu4 C16D -103.4(4) . .
O5 Cu1 Cu4 C16D 172.4(3) . .
O3A Cu1 Cu4 C16D 84.9(4) . .
N3 Cu1 Cu4 C16D -11.8(4) 8_455 .
O9 Cu1 Cu4 C16D -106.6(4) . .
O8 Cu1 Cu4 C16D 73.2(4) . .
Cu3 Cu1 Cu4 C16D -153.5(3) . .
Cu2 Cu1 Cu4 C16D 123.4(3) . .
O7 Cu1 Cu4 O4D -136.3(4) . .
O5 Cu1 Cu4 O4D 139.5(4) . .
O3A Cu1 Cu4 O4D 52.0(4) . .
N3 Cu1 Cu4 O4D -44.6(4) 8_455 .
O9 Cu1 Cu4 O4D -139.4(4) . .
O8 Cu1 Cu4 O4D 40.3(4) . .
Cu3 Cu1 Cu4 O4D 173.7(4) . .
Cu2 Cu1 Cu4 O4D 90.5(4) . .
O7 Cu1 Cu4 O4E -145.6(3) . .
O5 Cu1 Cu4 O4E 130.2(3) . .
O3A Cu1 Cu4 O4E 42.7(3) . .
N3 Cu1 Cu4 O4E -53.9(3) 8_455 .
O9 Cu1 Cu4 O4E -148.7(3) . .
O8 Cu1 Cu4 O4E 31.0(3) . .
Cu3 Cu1 Cu4 O4E 164.4(3) . .
Cu2 Cu1 Cu4 O4E 81.2(3) . .
O7 Cu1 Cu4 Cu2 133.17(14) . .
O5 Cu1 Cu4 Cu2 48.97(11) . .
O3A Cu1 Cu4 Cu2 -38.52(13) . .
N3 Cu1 Cu4 Cu2 -135.17(15) 8_455 .
O9 Cu1 Cu4 Cu2 130.0(2) . .
O8 Cu1 Cu4 Cu2 -50.23(14) . .
Cu3 Cu1 Cu4 Cu2 83.13(3) . .
O7 Cu1 Cu4 Cu3 50.04(13) . .
O5 Cu1 Cu4 Cu3 -34.16(11) . .
O3A Cu1 Cu4 Cu3 -121.65(14) . .
N3 Cu1 Cu4 Cu3 141.70(15) 8_455 .
O9 Cu1 Cu4 Cu3 46.9(2) . .
O8 Cu1 Cu4 Cu3 -133.36(14) . .
Cu2 Cu1 Cu4 Cu3 -83.13(3) . .
O1A C1A C2A C6A 0.7(11) . .
N1A C1A C2A C6A 178.6(6) . .
O1A C1A C2A C3A -177.7(7) . .
N1A C1A C2A C3A 0.2(10) . .
C6A C2A C3A C4A -179.6(6) . .
C1A C2A C3A C4A -1.2(9) . .
C6A C2A C3A C9A 0.3(9) . .
C1A C2A C3A C9A 178.7(6) . .
C2A C3A C4A C12A -179.4(6) . .
C9A C3A C4A C12A 0.7(8) . .
C2A C3A C4A C5A -1.2(8) . .
C9A C3A C4A C5A 178.9(5) . .
C12A C4A C5A O2A 0.7(10) . .
C3A C4A C5A O2A -177.5(6) . .
C12A C4A C5A N1A -177.4(6) . .
C3A C4A C5A N1A 4.5(9) . .
C3A C2A C6A C7A -1.2(10) . .
C1A C2A C6A C7A -179.7(7) . .
C2A C6A C7A C8A 1.4(12) . .
C6A C7A C8A C9A -0.6(13) . .
C7A C8A C9A C10A -179.7(8) . .
C7A C8A C9A C3A -0.3(11) . .
C2A C3A C9A C8A 0.5(9) . .
C4A C3A C9A C8A -179.7(6) . .
C2A C3A C9A C10A 179.9(6) . .
C4A C3A C9A C10A -0.3(8) . .
C8A C9A C10A C11A -179.9(8) . .
C3A C9A C10A C11A 0.8(11) . .
C9A C10A C11A C12A -1.7(12) . .
C3A C4A C12A C11A -1.6(9) . .
C5A C4A C12A C11A -179.8(6) . .
C10A C11A C12A C4A 2.1(11) . .
O2A C5A N1A C1A 176.1(7) . .
C4A C5A N1A C1A -5.8(10) . .
O2A C5A N1A C13A -12.0(10) . .
C4A C5A N1A C13A 166.1(6) . .
O1A C1A N1A C5A -178.6(7) . .
C2A C1A N1A C5A 3.4(10) . .
O1A C1A N1A C13A 9.5(11) . .
C2A C1A N1A C13A -168.5(6) . .
C5A N1A C13A C14A 97.9(8) . .
C1A N1A C13A C14A -89.6(8) . .
N1A C13A C14A C15A 172.4(6) . .
C13A C14A C15A C16A 88.5(9) . .
C14A C15A C16A O4A 168.1(7) . .
C14A C15A C16A O3A -8.6(11) . .
O4A C16A O3A Cu1 1.3(10) . .
C15A C16A O3A Cu1 177.5(6) . .
O7 Cu1 O3A C16A -0.8(10) . .
O5 Cu1 O3A C16A -53.0(5) . .
N3 Cu1 O3A C16A 127.7(5) 8_455 .
O9 Cu1 O3A C16A -145.4(5) . .
O8 Cu1 O3A C16A 34.5(5) . .
Cu3 Cu1 O3A C16A -45.0(6) . .
Cu2 Cu1 O3A C16A -3.7(5) . .
Cu4 Cu1 O3A C16A 27.9(5) . .
O3A C16A O4A Cu2 4.7(10) . .
C15A C16A O4A Cu2 -171.6(6) . .
O8 Cu2 O4A C16A -59.4(5) . .
N2 Cu2 O4A C16A 129.7(5) . .
O5 Cu2 O4A C16A 33.0(5) . .
Cu4 Cu2 O4A C16A -52.3(6) . .
Cu1 Cu2 O4A C16A -5.3(5) . .
Cu3 Cu2 O4A C16A 25.1(6) . .
O1B C1B C2B C6B -4.8(13) . .
N1B C1B C2B C6B 176.7(7) . .
O1B C1B C2B C3B 174.6(8) . .
N1B C1B C2B C3B -3.9(11) . .
C6B C2B C3B C4B -178.0(8) . .
C1B C2B C3B C4B 2.5(11) . .
C6B C2B C3B C9B -1.2(12) . .
C1B C2B C3B C9B 179.4(8) . .
C2B C3B C4B C12B -178.6(8) . .
C9B C3B C4B C12B 4.3(12) . .
C2B C3B C4B C5B 0.2(12) . .
C9B C3B C4B C5B -177.0(7) . .
C12B C4B C5B O2B -1.4(15) . .
C3B C4B C5B O2B 179.8(10) . .
C12B C4B C5B N1B 177.5(7) . .
C3B C4B C5B N1B -1.3(11) . .
C3B C2B C6B C7B 2.5(13) . .
C1B C2B C6B C7B -178.0(8) . .
C2B C6B C7B C8B -3.3(17) . .
C6B C7B C8B C9B 3(2) . .
C7B C8B C9B C10B -179.5(13) . .
C7B C8B C9B C3B -1.4(19) . .
C2B C3B C9B C10B 178.6(10) . .
C4B C3B C9B C10B -4.4(14) . .
C2B C3B C9B C8B 0.5(13) . .
C4B C3B C9B C8B 177.5(9) . .
C8B C9B C10B C11B 179.4(17) . .
C3B C9B C10B C11B 1(2) . .
C9B C10B C11B C12B 2(3) . .
C3B C4B C12B C11B -1.5(16) . .
C5B C4B C12B C11B 179.7(11) . .
C10B C11B C12B C4B -2(3) . .
O1B C1B N1B C5B -175.8(8) . .
C2B C1B N1B C5B 2.8(11) . .
O1B C1B N1B C13B 5.8(11) . .
C2B C1B N1B C13B -175.7(6) . .
O2B C5B N1B C1B 178.7(9) . .
C4B C5B N1B C1B -0.3(11) . .
O2B C5B N1B C13B -2.8(12) . .
C4B C5B N1B C13B 178.2(7) . .
O3C Cu3 O3B C16B 131.9(5) . .
O7 Cu3 O3B C16B -56.0(5) . .
O5 Cu3 O3B C16B 0.2(12) . .
O6 Cu3 O3B C16B 34.3(5) . .
O4C Cu3 O3B C16B -178.3(5) . .
Cu4 Cu3 O3B C16B -4.5(5) . .
Cu1 Cu3 O3B C16B -48.7(6) . .
Cu2 Cu3 O3B C16B 27.6(6) . .
O3D Cu4 O4B C16B 133.8(5) . .
O6 Cu4 O4B C16B -52.5(5) . .
O3E Cu4 O4B C16B 142.6(5) . .
O7 Cu4 O4B C16B 38.1(5) . .
C16D Cu4 O4B C16B 162.6(5) . .
O4D Cu4 O4B C16B -168.5(5) . .
O4E Cu4 O4B C16B -166.4(5) . .
Cu2 Cu4 O4B C16B -43.1(5) . .
Cu3 Cu4 O4B C16B -0.1(5) . .
Cu1 Cu4 O4B C16B 31.8(5) . .
C1B N1B C13B C14B -96.8(8) . .
C5B N1B C13B C14B 84.5(8) . .
N1B C13B C14B C15B 175.2(6) . .
C13B C14B C15B C16B -75.8(7) . .
Cu4 O4B C16B O3B -3.2(9) . .
Cu4 O4B C16B C15B 175.0(4) . .
Cu3 O3B C16B O4B 6.3(9) . .
Cu3 O3B C16B C15B -171.9(4) . .
C14B C15B C16B O4B 119.0(6) . .
C14B C15B C16B O3B -62.6(7) . .
O1C C1C C2C C6C 3.6(10) . .
N1C C1C C2C C6C -177.7(6) . .
O1C C1C C2C C3C -176.7(6) . .
N1C C1C C2C C3C 2.0(8) . .
C6C C2C C3C C4C 179.7(6) . .
C1C C2C C3C C4C 0.0(9) . .
C6C C2C C3C C9C 0.0(9) . .
C1C C2C C3C C9C -179.7(5) . .
C2C C3C C4C C12C 177.7(6) . .
C9C C3C C4C C12C -2.6(10) . .
C2C C3C C4C C5C -1.2(9) . .
C9C C3C C4C C5C 178.5(6) . .
C12C C4C C5C O2C 0.7(10) . .
C3C C4C C5C O2C 179.7(6) . .
C12C C4C C5C N1C -178.6(6) . .
C3C C4C C5C N1C 0.4(9) . .
C3C C2C C6C C7C -1.5(10) . .
C1C C2C C6C C7C 178.2(7) . .
C2C C6C C7C C8C 3.1(15) . .
C6C C7C C8C C9C -3.0(18) . .
C7C C8C C9C C10C 180.0(10) . .
C7C C8C C9C C3C 1.2(15) . .
C4C C3C C9C C8C -179.4(7) . .
C2C C3C C9C C8C 0.3(10) . .
C4C C3C C9C C10C 1.7(10) . .
C2C C3C C9C C10C -178.6(6) . .
C8C C9C C10C C11C -179.0(10) . .
C3C C9C C10C C11C -0.2(13) . .
C9C C10C C11C C12C -0.4(16) . .
C3C C4C C12C C11C 1.9(11) . .
C5C C4C C12C C11C -179.1(7) . .
C10C C11C C12C C4C -0.5(14) . .
O2C C5C N1C C1C -177.4(6) . .
C4C C5C N1C C1C 1.9(9) . .
O2C C5C N1C C13C 2.8(9) . .
C4C C5C N1C C13C -177.9(5) . .
O1C C1C N1C C5C 175.8(6) . .
C2C C1C N1C C5C -3.0(8) . .
O1C C1C N1C C13C -4.4(9) . .
C2C C1C N1C C13C 176.8(5) . .
O3B Cu3 O3C C16C 92.9(5) . .
O5 Cu3 O3C C16C -94.9(5) . .
O6 Cu3 O3C C16C -176.5(5) . .
O4C Cu3 O3C C16C -1.5(5) . .
Cu4 Cu3 O3C C16C 166.0(4) . .
Cu1 Cu3 O3C C16C -86.5(5) . .
Cu2 Cu3 O3C C16C -140.2(5) . .
O3C Cu3 O4C C16C 1.5(5) . .
O7 Cu3 O4C C16C 176.6(5) . .
O3B Cu3 O4C C16C -85.7(5) . .
O5 Cu3 O4C C16C 94.6(5) . .
O6 Cu3 O4C C16C 10.6(7) . .
Cu4 Cu3 O4C C16C -121.2(7) . .
Cu1 Cu3 O4C C16C 132.1(5) . .
Cu2 Cu3 O4C C16C 65.0(5) . .
C5C N1C C13C C14C -88.7(7) . .
C1C N1C C13C C14C 91.5(7) . .
N1C C13C C14C C15C -176.7(6) . .
C13C C14C C15C C16C -179.2(7) . .
Cu3 O4C C16C O3C -2.1(7) . .
Cu3 O4C C16C C15C 178.1(8) . .
Cu3 O3C C16C O4C 3.2(11) . .
Cu3 O3C C16C C15C -177.0(5) . .
C14C C15C C16C O4C -160.1(8) . .
C14C C15C C16C O3C 20.1(11) . .
O1D C1D C2D C6D -11(3) . .
N1D C1D C2D C6D 179.2(17) . .
O1D C1D C2D C3D 167.8(19) . .
N1D C1D C2D C3D -2(3) . .
C6D C2D C3D C4D 175.0(16) . .
C1D C2D C3D C4D -4(3) . .
C6D C2D C3D C9D 1(3) . .
C1D C2D C3D C9D -178(2) . .
C2D C3D C4D C12D 177(2) . .
C9D C3D C4D C12D -9(3) . .
C2D C3D C4D C5D 11(3) . .
C9D C3D C4D C5D -174.5(17) . .
C12D C4D C5D O2D 11(3) . .
C3D C4D C5D O2D 176.7(18) . .
C12D C4D C5D N1D -179.2(18) . .
C3D C4D C5D N1D -13(2) . .
C3D C2D C6D C7D 0(2) . .
C1D C2D C6D C7D 178(2) . .
C2D C6D C7D C8D 3(3) . .
C6D C7D C8D C9D -5(4) . .
C7D C8D C9D C3D 5(4) . .
C7D C8D C9D C10D -173(2) . .
C2D C3D C9D C8D -3(3) . .
C4D C3D C9D C8D -177(2) . .
C2D C3D C9D C10D 175(2) . .
C4D C3D C9D C10D 1(3) . .
C8D C9D C10D C11D -179(3) . .
C3D C9D C10D C11D 3(4) . .
C9D C10D C11D C12D 1(4) . .
C3D C4D C12D C11D 12(3) . .
C5D C4D C12D C11D 177.6(17) . .
C10D C11D C12D C4D -8(4) . .
O2D C5D N1D C1D 177.1(19) . .
C4D C5D N1D C1D 8(2) . .
O2D C5D N1D C13D -4(2) . .
C4D C5D N1D C13D -173.7(14) . .
O1D C1D N1D C5D -169(2) . .
C2D C1D N1D C5D 0(3) . .
O1D C1D N1D C13D 13(4) . .
C2D C1D N1D C13D -178.6(16) . .
O4B Cu4 O3D C16D 94.2(8) . .
O8 Cu4 O3D C16D -91.5(8) . .
O3E Cu4 O3D C16D -51.0(14) . .
O7 Cu4 O3D C16D -173.9(8) . .
O4D Cu4 O3D C16D 1.8(8) . .
O4E Cu4 O3D C16D -12.0(8) . .
Cu2 Cu4 O3D C16D -89.6(9) . .
Cu3 Cu4 O3D C16D 164.8(7) . .
Cu1 Cu4 O3D C16D -139.7(8) . .
O3D Cu4 O4D C16D -1.8(8) . .
O4B Cu4 O4D C16D -85.7(8) . .
O6 Cu4 O4D C16D 179.8(7) . .
O8 Cu4 O4D C16D 97.3(8) . .
O3E Cu4 O4D C16D 14.5(8) . .
O7 Cu4 O4D C16D 7.7(12) . .
O4E Cu4 O4D C16D 103.7(18) . .
Cu2 Cu4 O4D C16D 135.5(8) . .
Cu3 Cu4 O4D C16D -130.3(9) . .
Cu1 Cu4 O4D C16D 68.6(9) . .
C5D N1D C13D C14D 90.0(17) . .
C1D N1D C13D C14D -91(2) . .
N1D C13D C14D C15D -42(2) . .
C13D C14D C15D C16D 174.8(13) . .
Cu4 O3D C16D O4D -3.8(17) . .
Cu4 O3D C16D C15D -179.8(9) . .
Cu4 O4D C16D O3D 2.9(13) . .
Cu4 O4D C16D C15D 178.7(13) . .
C14D C15D C16D O3D -79.9(17) . .
C14D C15D C16D O4D 103.8(17) . .
C14D C15D C16D Cu4 -80(3) . .
O4B Cu4 C16D O3D -83.6(8) . .
O6 Cu4 C16D O3D -177.2(6) . .
O8 Cu4 C16D O3D 94.9(8) . .
O3E Cu4 C16D O3D 33.3(10) . .
O7 Cu4 C16D O3D 7.4(10) . .
O4D Cu4 C16D O3D -176.8(14) . .
O4E Cu4 C16D O3D 160.9(13) . .
Cu2 Cu4 C16D O3D 122.3(8) . .
Cu3 Cu4 C16D O3D -31.9(14) . .
Cu1 Cu4 C16D O3D 49.3(9) . .
O3D Cu4 C16D O4D 176.8(14) . .
O4B Cu4 C16D O4D 93.3(8) . .
O6 Cu4 C16D O4D -0.4(12) . .
O8 Cu4 C16D O4D -88.3(8) . .
O3E Cu4 C16D O4D -149.9(17) . .
O7 Cu4 C16D O4D -175.8(6) . .
O4E Cu4 C16D O4D -22.2(7) . .
Cu2 Cu4 C16D O4D -60.9(9) . .
Cu3 Cu4 C16D O4D 144.9(6) . .
Cu1 Cu4 C16D O4D -133.8(7) . .
O3D Cu4 C16D C15D 1(3) . .
O4B Cu4 C16D C15D -83(3) . .
O6 Cu4 C16D C15D -177(3) . .
O8 Cu4 C16D C15D 96(3) . .
O3E Cu4 C16D C15D 34(3) . .
O7 Cu4 C16D C15D 8(3) . .
O4D Cu4 C16D C15D -176(4) . .
O4E Cu4 C16D C15D 162(4) . .
Cu2 Cu4 C16D C15D 123(3) . .
Cu3 Cu4 C16D C15D -31(4) . .
Cu1 Cu4 C16D C15D 50(3) . .
O1E C1E C2E C6E 15(5) . .
N1E C1E C2E C6E -177(2) . .
O1E C1E C2E C3E -172(3) . .
N1E C1E C2E C3E -4(4) . .
C6E C2E C3E C4E 179(2) . .
C1E C2E C3E C4E 6(3) . .
C6E C2E C3E C9E -8(3) . .
C1E C2E C3E C9E 179(3) . .
C2E C3E C4E C12E 172(2) . .
C9E C3E C4E C12E -1(4) . .
C2E C3E C4E C5E -2(3) . .
C9E C3E C4E C5E -175(2) . .
C12E C4E C5E O2E 15(4) . .
C3E C4E C5E O2E -172(2) . .
C12E C4E C5E N1E -176(3) . .
C3E C4E C5E N1E -3(3) . .
C1E C2E C6E C7E 177(2) . .
C3E C2E C6E C7E 4(3) . .
C2E C6E C7E C8E 3(4) . .
C6E C7E C8E C9E -4(4) . .
C7E C8E C9E C10E -175(2) . .
C7E C8E C9E C3E -1(4) . .
C2E C3E C9E C8E 7(4) . .
C4E C3E C9E C8E -180(2) . .
C2E C3E C9E C10E -178.5(18) . .
C4E C3E C9E C10E -5(3) . .
C8E C9E C10E C11E 179(3) . .
C3E C9E C10E C11E 4(3) . .
C9E C10E C11E C12E 3(4) . .
C3E C4E C12E C11E 8(4) . .
C5E C4E C12E C11E -179(2) . .
C10E C11E C12E C4E -10(4) . .
O1E C1E N1E C5E 169(2) . .
C2E C1E N1E C5E -1(4) . .
O1E C1E N1E C13E -7(3) . .
C2E C1E N1E C13E -177(2) . .
O2E C5E N1E C1E 175(2) . .
C4E C5E N1E C1E 4(3) . .
O2E C5E N1E C13E -9(3) . .
C4E C5E N1E C13E -179.6(17) . .
C1E N1E C13E C14E -70(2) . .
C5E N1E C13E C14E 113.7(18) . .
N1E C13E C14E C15E -123.7(16) . .
C13E C14E C15E C16E 170.3(13) . .
C14E C15E C16E O4E 160.3(15) . .
C14E C15E C16E O3E -21(2) . .
O3E C16E O4E Cu4 -6.3(12) . .
C15E C16E O4E Cu4 172.1(13) . .
O3D Cu4 O4E C16E -8.3(8) . .
O4B Cu4 O4E C16E -85.4(9) . .
O6 Cu4 O4E C16E 174.8(8) . .
O8 Cu4 O4E C16E 97.8(8) . .
O3E Cu4 O4E C16E 4.4(8) . .
O7 Cu4 O4E C16E 32.7(11) . .
C16D Cu4 O4E C16E -18.6(9) . .
O4D Cu4 O4E C16E -75.8(16) . .
Cu2 Cu4 O4E C16E 133.6(8) . .
Cu3 Cu4 O4E C16E -177.7(7) . .
Cu1 Cu4 O4E C16E 75.7(9) . .
O4E C16E O3E Cu4 9.4(17) . .
C15E C16E O3E Cu4 -168.9(10) . .
O3D Cu4 O3E C16E 129(2) . .
O4B Cu4 O3E C16E 94.4(9) . .
O6 Cu4 O3E C16E -32.6(14) . .
O8 Cu4 O3E C16E -90.0(9) . .
O7 Cu4 O3E C16E -171.2(8) . .
C16D Cu4 O3E C16E 30.6(12) . .
O4D Cu4 O3E C16E 11.9(8) . .
O4E Cu4 O3E C16E -4.5(8) . .
Cu2 Cu4 O3E C16E -80.2(9) . .
Cu3 Cu4 O3E C16E 176.3(7) . .
Cu1 Cu4 O3E C16E -135.8(8) . .
N2 C21 C22 C23 0.1(10) . .
C21 C22 C23 C24 1.1(9) . .
C21 C22 C23 C26 -179.0(6) . .
C22 C23 C24 C25 -2.3(10) . .
C26 C23 C24 C25 177.8(6) . .
C23 C24 C25 N2 2.5(10) . .
C22 C23 C26 C27 4.1(11) . .
C24 C23 C26 C27 -176.0(7) . .
C23 C26 C27 C28 -179.1(6) . .
C26 C27 C28 C32 4.2(11) . .
C26 C27 C28 C29 -176.8(7) . .
C32 C28 C29 C30 1.1(9) . .
C27 C28 C29 C30 -178.0(6) . .
C28 C29 C30 N3 -2.0(10) . .
C29 C28 C32 C31 0.0(9) . .
C27 C28 C32 C31 179.1(6) . .
N3 C31 C32 C28 -0.5(10) . .
C22 C21 N2 C25 0.0(9) . .
C22 C21 N2 Cu2 176.2(5) . .
C24 C25 N2 C21 -1.3(9) . .
C24 C25 N2 Cu2 -177.5(5) . .
O4A Cu2 N2 C21 -139.4(5) . .
O6 Cu2 N2 C21 38.1(5) . .
O5 Cu2 N2 C21 -46.5(5) . .
Cu4 Cu2 N2 C21 42.9(6) . .
Cu1 Cu2 N2 C21 -65.3(5) . .
Cu3 Cu2 N2 C21 -10.2(5) . .
O4A Cu2 N2 C25 36.7(5) . .
O6 Cu2 N2 C25 -145.9(5) . .
O5 Cu2 N2 C25 129.6(5) . .
Cu4 Cu2 N2 C25 -141.1(4) . .
Cu1 Cu2 N2 C25 110.7(5) . .
Cu3 Cu2 N2 C25 165.8(4) . .
C32 C31 N3 C30 -0.3(9) . .
C32 C31 N3 Cu1 -178.0(5) . 8_556
C29 C30 N3 C31 1.5(9) . .
C29 C30 N3 Cu1 179.4(5) . 8_556
O7 Cu1 O5 C41 140.4(4) . .
O3A Cu1 O5 C41 -49.4(4) . .
O9 Cu1 O5 C41 41.8(4) . .
O8 Cu1 O5 C41 -139.9(4) . .
Cu3 Cu1 O5 C41 139.7(5) . .
Cu2 Cu1 O5 C41 -121.5(4) . .
Cu4 Cu1 O5 C41 -174.2(4) . .
O7 Cu1 O5 Cu3 0.62(16) . .
O3A Cu1 O5 Cu3 170.82(17) . .
O9 Cu1 O5 Cu3 -97.96(17) . .
O8 Cu1 O5 Cu3 80.37(15) . .
Cu2 Cu1 O5 Cu3 98.80(16) . .
Cu4 Cu1 O5 Cu3 46.04(12) . .
O7 Cu1 O5 Cu2 -98.19(14) . .
O3A Cu1 O5 Cu2 72.01(15) . .
O9 Cu1 O5 Cu2 163.24(15) . .
O8 Cu1 O5 Cu2 -18.43(12) . .
Cu3 Cu1 O5 Cu2 -98.80(16) . .
Cu4 Cu1 O5 Cu2 -52.77(8) . .
O3C Cu3 O5 C41 31.9(4) . .
O7 Cu3 O5 C41 -139.6(4) . .
O3B Cu3 O5 C41 163.1(8) . .
O6 Cu3 O5 C41 128.5(4) . .
O4C Cu3 O5 C41 -18.4(4) . .
Cu4 Cu3 O5 C41 167.7(4) . .
Cu1 Cu3 O5 C41 -139.0(4) . .
Cu2 Cu3 O5 C41 131.3(4) . .
O3C Cu3 O5 Cu1 170.85(19) . .
O7 Cu3 O5 Cu1 -0.62(16) . .
O3B Cu3 O5 Cu1 -58.0(9) . .
O6 Cu3 O5 Cu1 -92.56(15) . .
O4C Cu3 O5 Cu1 120.52(17) . .
Cu4 Cu3 O5 Cu1 -53.37(13) . .
Cu2 Cu3 O5 Cu1 -89.77(16) . .
O3C Cu3 O5 Cu2 -99.38(18) . .
O7 Cu3 O5 Cu2 89.14(15) . .
O3B Cu3 O5 Cu2 31.8(9) . .
O6 Cu3 O5 Cu2 -2.79(11) . .
O4C Cu3 O5 Cu2 -149.71(15) . .
Cu4 Cu3 O5 Cu2 36.40(10) . .
Cu1 Cu3 O5 Cu2 89.77(16) . .
O4A Cu2 O5 C41 55.7(4) . .
O8 Cu2 O5 C41 149.2(4) . .
O6 Cu2 O5 C41 -131.4(4) . .
N2 Cu2 O5 C41 -33.7(4) . .
Cu4 Cu2 O5 C41 -171.5(4) . .
Cu1 Cu2 O5 C41 125.2(4) . .
Cu3 Cu2 O5 C41 -134.9(4) . .
O4A Cu2 O5 Cu1 -69.58(15) . .
O8 Cu2 O5 Cu1 24.00(16) . .
O6 Cu2 O5 Cu1 103.36(15) . .
N2 Cu2 O5 Cu1 -158.98(18) . .
Cu4 Cu2 O5 Cu1 63.23(10) . .
Cu3 Cu2 O5 Cu1 99.87(17) . .
O4A Cu2 O5 Cu3 -169.45(15) . .
O8 Cu2 O5 Cu3 -75.88(16) . .
O6 Cu2 O5 Cu3 3.49(14) . .
N2 Cu2 O5 Cu3 101.15(19) . .
Cu4 Cu2 O5 Cu3 -36.64(11) . .
Cu1 Cu2 O5 Cu3 -99.87(17) . .
O8 Cu2 O6 C42 -134.7(5) . .
N2 Cu2 O6 C42 35.9(5) . .
O5 Cu2 O6 C42 131.9(5) . .
Cu4 Cu2 O6 C42 -139.1(5) . .
Cu1 Cu2 O6 C42 171.2(5) . .
Cu3 Cu2 O6 C42 134.6(5) . .
O8 Cu2 O6 Cu4 4.40(16) . .
N2 Cu2 O6 Cu4 175.04(19) . .
O5 Cu2 O6 Cu4 -89.00(16) . .
Cu1 Cu2 O6 Cu4 -49.70(14) . .
Cu3 Cu2 O6 Cu4 -86.22(15) . .
O8 Cu2 O6 Cu3 90.62(15) . .
N2 Cu2 O6 Cu3 -98.73(18) . .
O5 Cu2 O6 Cu3 -2.78(11) . .
Cu4 Cu2 O6 Cu3 86.22(15) . .
Cu1 Cu2 O6 Cu3 36.53(10) . .
O4B Cu4 O6 C42 -46.1(4) . .
O8 Cu4 O6 C42 140.3(4) . .
O3E Cu4 O6 C42 81.3(9) . .
O7 Cu4 O6 C42 -138.6(4) . .
C16D Cu4 O6 C42 45.1(7) . .
O4D Cu4 O6 C42 44.9(5) . .
O4E Cu4 O6 C42 58.2(5) . .
Cu2 Cu4 O6 C42 144.7(5) . .
Cu3 Cu4 O6 C42 -119.7(4) . .
Cu1 Cu4 O6 C42 -172.3(4) . .
O4B Cu4 O6 Cu2 169.23(18) . .
O8 Cu4 O6 Cu2 -4.39(16) . .
O3E Cu4 O6 Cu2 -63.4(8) . .
O7 Cu4 O6 Cu2 76.72(16) . .
C16D Cu4 O6 Cu2 -99.5(6) . .
O4D Cu4 O6 Cu2 -99.7(3) . .
O4E Cu4 O6 Cu2 -86.5(3) . .
Cu3 Cu4 O6 Cu2 95.63(16) . .
Cu1 Cu4 O6 Cu2 43.02(13) . .
O4B Cu4 O6 Cu3 73.60(16) . .
O8 Cu4 O6 Cu3 -100.02(14) . .
O3E Cu4 O6 Cu3 -159.0(8) . .
O7 Cu4 O6 Cu3 -18.91(12) . .
C16D Cu4 O6 Cu3 164.9(5) . .
O4D Cu4 O6 Cu3 164.7(3) . .
O4E Cu4 O6 Cu3 177.9(2) . .
Cu2 Cu4 O6 Cu3 -95.63(16) . .
Cu1 Cu4 O6 Cu3 -52.61(7) . .
O3C Cu3 O6 C42 -41.6(4) . .
O7 Cu3 O6 C42 143.2(4) . .
O3B Cu3 O6 C42 48.5(4) . .
O5 Cu3 O6 C42 -137.4(4) . .
O4C Cu3 O6 C42 -48.7(5) . .
Cu4 Cu3 O6 C42 119.3(4) . .
Cu1 Cu3 O6 C42 -177.5(4) . .
Cu2 Cu3 O6 C42 -140.8(4) . .
O3C Cu3 O6 Cu2 99.18(17) . .
O7 Cu3 O6 Cu2 -76.00(15) . .
O3B Cu3 O6 Cu2 -170.74(16) . .
O5 Cu3 O6 Cu2 3.36(14) . .
O4C Cu3 O6 Cu2 92.1(3) . .
Cu4 Cu3 O6 Cu2 -99.95(15) . .
Cu1 Cu3 O6 Cu2 -36.74(10) . .
O3C Cu3 O6 Cu4 -160.87(16) . .
O7 Cu3 O6 Cu4 23.95(16) . .
O3B Cu3 O6 Cu4 -70.79(16) . .
O5 Cu3 O6 Cu4 103.30(14) . .
O4C Cu3 O6 Cu4 -167.9(3) . .
Cu1 Cu3 O6 Cu4 63.21(10) . .
Cu2 Cu3 O6 Cu4 99.95(15) . .
O3B Cu3 O7 C43 -47.7(4) . .
O5 Cu3 O7 C43 141.1(4) . .
O6 Cu3 O7 C43 -138.3(4) . .
O4C Cu3 O7 C43 49.2(5) . .
Cu4 Cu3 O7 C43 -119.3(4) . .
Cu1 Cu3 O7 C43 140.5(5) . .
Cu2 Cu3 O7 C43 -173.4(4) . .
O3B Cu3 O7 Cu1 171.81(19) . .
O5 Cu3 O7 Cu1 0.63(16) . .
O6 Cu3 O7 Cu1 81.21(16) . .
O4C Cu3 O7 Cu1 -91.3(2) . .
Cu4 Cu3 O7 Cu1 100.26(17) . .
Cu2 Cu3 O7 Cu1 46.09(13) . .
O3B Cu3 O7 Cu4 71.55(16) . .
O5 Cu3 O7 Cu4 -99.64(14) . .
O6 Cu3 O7 Cu4 -19.05(13) . .
O4C Cu3 O7 Cu4 168.48(17) . .
Cu1 Cu3 O7 Cu4 -100.26(17) . .
Cu2 Cu3 O7 Cu4 -54.17(8) . .
O5 Cu1 O7 C43 -136.5(5) . .
O3A Cu1 O7 C43 170.1(7) . .
N3 Cu1 O7 C43 42.0(5) 8_455 .
O9 Cu1 O7 C43 -45.8(5) . .
O8 Cu1 O7 C43 134.1(5) . .
Cu3 Cu1 O7 C43 -135.9(5) . .
Cu2 Cu1 O7 C43 172.9(4) . .
Cu4 Cu1 O7 C43 136.0(5) . .
O5 Cu1 O7 Cu3 -0.63(16) . .
O3A Cu1 O7 Cu3 -54.0(8) . .
N3 Cu1 O7 Cu3 177.88(19) 8_455 .
O9 Cu1 O7 Cu3 90.05(18) . .
O8 Cu1 O7 Cu3 -90.04(16) . .
Cu2 Cu1 O7 Cu3 -51.17(14) . .
Cu4 Cu1 O7 Cu3 -88.07(16) . .
O5 Cu1 O7 Cu4 87.45(14) . .
O3A Cu1 O7 Cu4 34.1(8) . .
N3 Cu1 O7 Cu4 -94.04(18) 8_455 .
O9 Cu1 O7 Cu4 178.12(14) . .
O8 Cu1 O7 Cu4 -1.97(11) . .
Cu3 Cu1 O7 Cu4 88.07(16) . .
Cu2 Cu1 O7 Cu4 36.90(10) . .
O3D Cu4 O7 C43 -36.0(5) . .
O4B Cu4 O7 C43 48.5(4) . .
O6 Cu4 O7 C43 143.1(4) . .
O8 Cu4 O7 C43 -137.9(4) . .
O3E Cu4 O7 C43 -49.4(5) . .
C16D Cu4 O7 C43 -39.6(5) . .
O4D Cu4 O7 C43 -44.1(7) . .
O4E Cu4 O7 C43 -71.6(6) . .
Cu2 Cu4 O7 C43 -178.0(4) . .
Cu3 Cu4 O7 C43 118.9(4) . .
Cu1 Cu4 O7 C43 -140.4(4) . .
O3D Cu4 O7 Cu3 -154.9(3) . .
O4B Cu4 O7 Cu3 -70.44(16) . .
O6 Cu4 O7 Cu3 24.13(16) . .
O8 Cu4 O7 Cu3 103.13(15) . .
O3E Cu4 O7 Cu3 -168.4(3) . .
C16D Cu4 O7 Cu3 -158.5(4) . .
O4D Cu4 O7 Cu3 -163.0(5) . .
O4E Cu4 O7 Cu3 169.5(5) . .
Cu2 Cu4 O7 Cu3 63.01(10) . .
Cu1 Cu4 O7 Cu3 100.62(16) . .
O3D Cu4 O7 Cu1 104.5(3) . .
O4B Cu4 O7 Cu1 -171.06(16) . .
O6 Cu4 O7 Cu1 -76.49(16) . .
O8 Cu4 O7 Cu1 2.51(14) . .
O3E Cu4 O7 Cu1 91.0(3) . .
C16D Cu4 O7 Cu1 100.9(4) . .
O4D Cu4 O7 Cu1 96.3(6) . .
O4E Cu4 O7 Cu1 68.8(5) . .
Cu2 Cu4 O7 Cu1 -37.61(10) . .
Cu3 Cu4 O7 Cu1 -100.62(16) . .
O4A Cu2 O8 C44 -42.0(4) . .
O6 Cu2 O8 C44 141.7(4) . .
O5 Cu2 O8 C44 -135.2(4) . .
Cu4 Cu2 O8 C44 146.1(5) . .
Cu1 Cu2 O8 C44 -116.5(4) . .
Cu3 Cu2 O8 C44 -170.3(4) . .
O4A Cu2 O8 Cu4 171.90(18) . .
O6 Cu2 O8 Cu4 -4.40(16) . .
O5 Cu2 O8 Cu4 78.76(16) . .
Cu1 Cu2 O8 Cu4 97.42(17) . .
Cu3 Cu2 O8 Cu4 43.64(13) . .
O4A Cu2 O8 Cu1 74.48(15) . .
O6 Cu2 O8 Cu1 -101.82(14) . .
O5 Cu2 O8 Cu1 -18.66(12) . .
Cu4 Cu2 O8 Cu1 -97.42(17) . .
Cu3 Cu2 O8 Cu1 -53.78(7) . .
O3D Cu4 O8 C44 34.1(5) . .
O6 Cu4 O8 C44 -139.7(4) . .
O3E Cu4 O8 C44 24.1(5) . .
O7 Cu4 O8 C44 128.2(4) . .
C16D Cu4 O8 C44 4.5(5) . .
O4D Cu4 O8 C44 -24.9(5) . .
O4E Cu4 O8 C44 -26.3(5) . .
Cu2 Cu4 O8 C44 -144.1(5) . .
Cu3 Cu4 O8 C44 167.1(4) . .
Cu1 Cu4 O8 C44 130.2(5) . .
O3D Cu4 O8 Cu2 178.1(3) . .
O6 Cu4 O8 Cu2 4.39(16) . .
O3E Cu4 O8 Cu2 168.1(3) . .
O7 Cu4 O8 Cu2 -87.72(16) . .
C16D Cu4 O8 Cu2 148.6(3) . .
O4D Cu4 O8 Cu2 119.2(2) . .
O4E Cu4 O8 Cu2 117.8(3) . .
Cu3 Cu4 O8 Cu2 -48.82(14) . .
Cu1 Cu4 O8 Cu2 -85.77(17) . .
O3D Cu4 O8 Cu1 -96.1(3) . .
O6 Cu4 O8 Cu1 90.16(15) . .
O3E Cu4 O8 Cu1 -106.1(3) . .
O7 Cu4 O8 Cu1 -1.94(11) . .
C16D Cu4 O8 Cu1 -125.7(3) . .
O4D Cu4 O8 Cu1 -155.0(2) . .
O4E Cu4 O8 Cu1 -156.4(2) . .
Cu2 Cu4 O8 Cu1 85.77(17) . .
Cu3 Cu4 O8 Cu1 36.95(10) . .
O7 Cu1 O8 C44 -134.7(4) . .
O5 Cu1 O8 C44 145.7(4) . .
O3A Cu1 O8 C44 52.4(4) . .
N3 Cu1 O8 C44 -38.8(4) 8_455 .
Cu3 Cu1 O8 C44 -174.4(4) . .
Cu2 Cu1 O8 C44 123.1(4) . .
Cu4 Cu1 O8 C44 -137.1(4) . .
O7 Cu1 O8 Cu2 102.15(15) . .
O5 Cu1 O8 Cu2 22.60(15) . .
O3A Cu1 O8 Cu2 -70.69(15) . .
N3 Cu1 O8 Cu2 -161.92(18) 8_455 .
Cu3 Cu1 O8 Cu2 62.44(10) . .
Cu4 Cu1 O8 Cu2 99.72(17) . .
O7 Cu1 O8 Cu4 2.43(14) . .
O5 Cu1 O8 Cu4 -77.13(16) . .
O3A Cu1 O8 Cu4 -170.41(15) . .
N3 Cu1 O8 Cu4 98.36(18) 8_455 .
Cu3 Cu1 O8 Cu4 -37.28(10) . .
Cu2 Cu1 O8 Cu4 -99.72(17) . .
O7 Cu1 O9 C45 -167.2(7) . .
O5 Cu1 O9 C45 -87.7(7) . .
O3A Cu1 O9 C45 5.7(7) . .
N3 Cu1 O9 C45 96.8(7) 8_455 .
Cu3 Cu1 O9 C45 -127.6(7) . .
Cu2 Cu1 O9 C45 -67.0(7) . .
Cu4 Cu1 O9 C45 -165.0(6) . .
