#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:17:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180498 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/67/7216704.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_7216704
loop_
_publ_author_name
'Hong, Xu-Jia'
'Liu, Xiang'
'Zhang, Jing-Bo'
'Lin, Chu-Ling'
'Wu, Xiao'
'Ou, Yan-Jun'
'Yang, Jian'
'Jin, Hong-Guang'
'Cai, Yue-Peng'
_publ_section_title
;
 Two low-dimensional Schiff base copper(i/ii) complexes: synthesis,
 characterization and catalytic activity for degradation of organic dyes
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              7926
_journal_paper_doi               10.1039/C4CE01207K
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C88 H106 Cu10 I10 N36 O17'
_chemical_formula_weight         3844.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.178(3)
_cell_angle_beta                 90.148(3)
_cell_angle_gamma                107.497(3)
_cell_formula_units_Z            1
_cell_length_a                   11.541(3)
_cell_length_b                   13.901(3)
_cell_length_c                   20.769(4)
_cell_measurement_reflns_used    2433
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.84
_cell_measurement_theta_min      2.25
_cell_volume                     3177.0(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0841
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16628
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    4.137
_exptl_absorpt_correction_T_max  0.7072
_exptl_absorpt_correction_T_min  0.5398
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'deep green'
_exptl_crystal_density_diffrn    2.009
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1842
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.314
_refine_diff_density_min         -1.759
_refine_diff_density_rms         0.277
_refine_ls_extinction_coef       0.0009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     742
_refine_ls_number_reflns         11324
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1080
_refine_ls_R_factor_gt           0.0655
_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)+(0.1546P)²+60.4568P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2214
_refine_ls_wR_factor_ref         0.2463
_reflns_number_gt                6537
_reflns_number_total             11324
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01207k2.cif
_cod_data_source_block           re824
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7216702--7216704.cif.
;
_cod_original_cell_volume        3177.2(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7216704
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.73791(16) 0.62789(14) 0.62088(8) 0.0378(5) Uani 1 1 d .
Cu2 Cu 0.70411(16) 0.49150(14) 0.79439(9) 0.0395(5) Uani 1 1 d .
Cu3 Cu 0.78102(16) 0.76108(15) 0.88586(9) 0.0389(5) Uani 1 1 d .
Cu4 Cu 0.77881(16) 0.89791(14) 0.71350(9) 0.0392(5) Uani 1 1 d .
Cu5 Cu 0.0795(5) 0.0398(4) 0.9361(3) 0.1594(19) Uani 1 1 d .
I1 I 0.77176(11) 1.00193(9) 0.58438(5) 0.0545(4) Uani 1 1 d .
I2 I 0.67512(13) 0.39353(11) 0.93076(6) 0.0657(4) Uani 1 1 d .
I3 I 0.70522(12) 0.42202(10) 0.54465(6) 0.0638(4) Uani 1 1 d .
I4 I 0.2375(3) 0.1107(2) 0.85513(16) 0.1743(12) Uani 1 1 d .
I5 I -0.1508(2) -0.01701(16) 0.94552(10) 0.1073(7) Uani 1 1 d .
O1 O 0.7887(8) 0.5789(8) 0.7031(5) 0.040(2) Uani 1 1 d .
O2 O 0.9371(12) 0.5044(11) 0.8605(6) 0.062(3) Uani 1 1 d .
H2 H 0.9921 0.4814 0.8501 0.093 Uiso 1 1 calc R
O3 O 0.6737(9) 0.6123(7) 0.8346(5) 0.038(2) Uani 1 1 d .
O4 O 0.5723(13) 0.8392(10) 0.9098(6) 0.067(4) Uani 1 1 d .
H4 H 0.6225 0.8698 0.9368 0.100 Uiso 1 1 calc R
O5 O 0.8429(9) 0.8242(8) 0.8014(5) 0.039(2) Uani 1 1 d .
O6 O 1.0112(11) 0.9473(11) 0.6424(6) 0.062(3) Uani 1 1 d .
H6 H 0.9756 0.9837 0.6259 0.093 Uiso 1 1 calc R
O7 O 0.6940(9) 0.7608(8) 0.6749(5) 0.040(2) Uani 1 1 d .
O8 O 0.4811(10) 0.4926(9) 0.6114(6) 0.057(3) Uani 1 1 d .
H8 H 0.5176 0.4504 0.6114 0.086 Uiso 1 1 calc R
N1 N 0.7486(11) 0.7006(10) 0.5367(6) 0.040(3) Uani 1 1 d .
N2 N 0.9112(11) 0.6760(9) 0.6141(6) 0.039(3) Uani 1 1 d .
N3 N 0.9823(11) 0.6527(10) 0.6609(6) 0.042(3) Uani 1 1 d .
N4 N 0.8838(12) 0.5281(10) 0.8061(6) 0.041(3) Uani 1 1 d .
N5 N 0.6711(13) 0.3618(10) 0.7426(6) 0.043(3) Uani 1 1 d .
N6 N 0.5322(11) 0.4591(9) 0.7826(6) 0.037(3) Uani 1 1 d .
N7 N 0.4764(12) 0.5275(10) 0.8075(6) 0.044(3) Uani 1 1 d .
N8 N 0.6077(13) 0.7600(10) 0.8837(6) 0.047(3) Uani 1 1 d .
N9 N 0.7816(12) 0.7002(10) 0.9743(6) 0.045(3) Uani 1 1 d .
N10 N 0.9484(11) 0.7619(10) 0.8903(6) 0.040(3) Uani 1 1 d .
N11 N 1.0226(11) 0.8019(10) 0.8391(6) 0.046(3) Uani 1 1 d .
N12 N 0.9516(12) 0.9063(9) 0.6976(6) 0.040(3) Uani 1 1 d .
N13 N 0.8041(13) 1.0296(11) 0.7630(6) 0.047(3) Uani 1 1 d .
N14 N 0.6150(12) 0.8854(10) 0.7356(7) 0.046(3) Uani 1 1 d .
N15 N 0.5248(11) 0.7978(10) 0.7143(6) 0.046(3) Uani 1 1 d .
H15A H 0.4829 0.7655 0.7480 0.055 Uiso 1 1 calc R
H15B H 0.4726 0.8140 0.6874 0.055 Uiso 1 1 calc R
N16 N 0.5565(11) 0.5831(9) 0.6335(6) 0.039(3) Uani 1 1 d .
N17 N 0.371(2) 0.9919(19) 0.6132(11) 0.101(7) Uani 1 1 d .
N18 N 0.059(3) 0.359(3) 0.6968(17) 0.149(13) Uani 1 1 d .
C1 C 0.6613(17) 0.7138(14) 0.5011(8) 0.054(4) Uani 1 1 d .
H1 H 0.5818 0.6828 0.5138 0.064 Uiso 1 1 calc R
C2 C 0.679(2) 0.7703(16) 0.4462(9) 0.068(6) Uani 1 1 d .
H2A H 0.6143 0.7746 0.4205 0.082 Uiso 1 1 calc R
C3 C 0.800(2) 0.8210(17) 0.4321(11) 0.079(6) Uani 1 1 d .
H3 H 0.8176 0.8654 0.3981 0.094 Uiso 1 1 calc R
C4 C 0.8939(19) 0.8063(15) 0.4673(9) 0.065(5) Uani 1 1 d .
H4A H 0.9738 0.8361 0.4549 0.078 Uiso 1 1 calc R
C5 C 0.8702(15) 0.7481(12) 0.5205(7) 0.044(4) Uani 1 1 d .
C6 C 0.9580(14) 0.7278(11) 0.5639(8) 0.043(4) Uani 1 1 d .
C7 C 1.0937(16) 0.7661(16) 0.5537(10) 0.068(5) Uani 1 1 d .
H7A H 1.1235 0.8358 0.5671 0.101 Uiso 1 1 calc R
H7B H 1.1108 0.7596 0.5089 0.101 Uiso 1 1 calc R
H7C H 1.1330 0.7273 0.5786 0.101 Uiso 1 1 calc R
C8 C 0.9058(13) 0.6033(12) 0.7053(7) 0.039(3) Uani 1 1 d .
C9 C 0.9622(14) 0.5759(12) 0.7645(8) 0.042(4) Uani 1 1 d .
C10 C 1.0961(15) 0.6018(16) 0.7731(10) 0.063(5) Uani 1 1 d .
H10A H 1.1232 0.6559 0.8043 0.095 Uiso 1 1 calc R
H10B H 1.1352 0.6224 0.7328 0.095 Uiso 1 1 calc R
H10C H 1.1165 0.5438 0.7878 0.095 Uiso 1 1 calc R
C11 C 0.7511(18) 0.3193(13) 0.7183(9) 0.057(5) Uani 1 1 d .
H11 H 0.8334 0.3505 0.7260 0.068 Uiso 1 1 calc R
C12 C 0.7166(19) 0.2307(13) 0.6820(9) 0.060(5) Uani 1 1 d .
H12 H 0.7744 0.2038 0.6642 0.071 Uiso 1 1 calc R
C13 C 0.594(2) 0.1832(14) 0.6727(10) 0.066(5) Uani 1 1 d .
H13 H 0.5678 0.1210 0.6512 0.079 Uiso 1 1 calc R
C14 C 0.514(2) 0.2259(13) 0.6943(9) 0.061(5) Uani 1 1 d .
H14 H 0.4314 0.1957 0.6859 0.073 Uiso 1 1 calc R
C15 C 0.5522(16) 0.3173(13) 0.7300(7) 0.050(4) Uani 1 1 d .
C16 C 0.4721(16) 0.3790(13) 0.7548(7) 0.047(4) Uani 1 1 d .
C17 C 0.3398(16) 0.3443(15) 0.7417(10) 0.063(5) Uani 1 1 d .
H17A H 0.3034 0.3925 0.7594 0.094 Uiso 1 1 calc R
H17B H 0.3046 0.2802 0.7612 0.094 Uiso 1 1 calc R
H17C H 0.3255 0.3375 0.6960 0.094 Uiso 1 1 calc R
C18 C 0.5619(14) 0.6045(12) 0.8338(8) 0.042(4) Uani 1 1 d .
C19 C 0.5172(14) 0.6843(12) 0.8617(7) 0.039(3) Uani 1 1 d .
C20 C 0.3908(14) 0.6826(14) 0.8631(9) 0.057(5) Uani 1 1 d .
H20A H 0.3759 0.7152 0.9021 0.085 Uiso 1 1 calc R
H20B H 0.3394 0.6140 0.8615 0.085 Uiso 1 1 calc R
H20C H 0.3736 0.7176 0.8266 0.085 Uiso 1 1 calc R
C21 C 0.6920(17) 0.6655(15) 1.0151(9) 0.061(5) Uani 1 1 d .
H21 H 0.6161 0.6721 1.0054 0.074 Uiso 1 1 calc R
C22 C 0.707(2) 0.6201(15) 1.0712(9) 0.070(6) Uani 1 1 d .
H22 H 0.6413 0.5960 1.0988 0.084 Uiso 1 1 calc R
C23 C 0.815(2) 0.6111(16) 1.0858(11) 0.078(6) Uani 1 1 d .
H23 H 0.8259 0.5809 1.1240 0.094 Uiso 1 1 calc R
C24 C 0.909(2) 0.6453(15) 1.0458(10) 0.071(6) Uani 1 1 d .
H24 H 0.9846 0.6384 1.0560 0.085 Uiso 1 1 calc R
C25 C 0.8927(16) 0.6910(13) 0.9890(8) 0.049(4) Uani 1 1 d .
C26 C 0.9883(15) 0.7314(14) 0.9416(7) 0.049(4) Uani 1 1 d .
C27 C 1.1147(18) 0.7402(18) 0.9539(10) 0.076(6) Uani 1 1 d .
H27A H 1.1199 0.6833 0.9778 0.114 Uiso 1 1 calc R
H27B H 1.1519 0.8012 0.9783 0.114 Uiso 1 1 calc R
H27C H 1.1561 0.7420 0.9137 0.114 Uiso 1 1 calc R
C28 C 0.9552(13) 0.8306(11) 0.7964(8) 0.040(3) Uani 1 1 d .
C29 C 1.0178(15) 0.8759(12) 0.7376(8) 0.044(4) Uani 1 1 d .
C30 C 1.1483(15) 0.8840(14) 0.7285(9) 0.057(5) Uani 1 1 d .
H30A H 1.1800 0.9279 0.6934 0.085 Uiso 1 1 calc R
H30B H 1.1560 0.8184 0.7190 0.085 Uiso 1 1 calc R
H30C H 1.1930 0.9110 0.7671 0.085 Uiso 1 1 calc R
C31 C 0.9022(16) 1.0993(12) 0.7776(9) 0.054(4) Uani 1 1 d .
H31 H 0.9750 1.0923 0.7624 0.065 Uiso 1 1 calc R
C32 C 0.907(2) 1.1832(15) 0.8137(10) 0.070(5) Uani 1 1 d .
H32 H 0.9800 1.2341 0.8194 0.084 Uiso 1 1 calc R
C33 C 0.805(2) 1.1921(15) 0.8412(11) 0.077(7) Uani 1 1 d .
H33 H 0.8077 1.2456 0.8694 0.093 Uiso 1 1 calc R
C34 C 0.695(2) 1.1184(15) 0.8259(10) 0.067(5) Uani 1 1 d .
H34 H 0.6219 1.1253 0.8408 0.081 Uiso 1 1 calc R
C35 C 0.6961(18) 1.0347(14) 0.7881(8) 0.054(4) Uani 1 1 d .
C36 C 0.5874(16) 0.9553(14) 0.7676(8) 0.049(4) Uani 1 1 d .
C37 C 0.4577(18) 0.9501(17) 0.7821(10) 0.072(6) Uani 1 1 d .
H37A H 0.4154 0.9526 0.7426 0.108 Uiso 1 1 calc R
H37B H 0.4566 1.0061 0.8096 0.108 Uiso 1 1 calc R
H37C H 0.4185 0.8882 0.8033 0.108 Uiso 1 1 calc R
C38 C 0.5804(13) 0.7390(12) 0.6838(7) 0.040(3) Uani 1 1 d .
C39 C 0.5011(14) 0.6419(12) 0.6585(7) 0.041(4) Uani 1 1 d .
C40 C 0.3656(14) 0.6124(15) 0.6637(10) 0.062(5) Uani 1 1 d .
H40A H 0.3302 0.5493 0.6412 0.093 Uiso 1 1 calc R
H40B H 0.3365 0.6635 0.6451 0.093 Uiso 1 1 calc R
H40C H 0.3432 0.6055 0.7083 0.093 Uiso 1 1 calc R
C41 C 0.396(2) 0.933(2) 0.5802(12) 0.081(7) Uani 1 1 d .
C42 C 0.425(2) 0.8609(18) 0.5361(12) 0.087(7) Uani 1 1 d .
H42A H 0.4011 0.7953 0.5547 0.130 Uiso 1 1 calc R
H42B H 0.5113 0.8814 0.5287 0.130 Uiso 1 1 calc R
H42C H 0.3830 0.8585 0.4960 0.130 Uiso 1 1 calc R
C43 C 0.062(3) 0.394(3) 0.6495(19) 0.111(11) Uani 1 1 d .
C44 C 0.058(3) 0.444(3) 0.5879(15) 0.131(12) Uani 1 1 d .
H44A H 0.0870 0.5162 0.5946 0.197 Uiso 1 1 calc R
H44B H -0.0245 0.4257 0.5720 0.197 Uiso 1 1 calc R
H44C H 0.1079 0.4240 0.5570 0.197 Uiso 1 1 calc R
O9 O 0.5000 1.0000 0.0000 0.39(5) Uani 1 2 d S
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'
I I -0.4742 1.8119 '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_3
N2 Cu1 O1 79.0(4) .
N2 Cu1 N16 176.1(5) .
O1 Cu1 N16 99.1(4) .
N2 Cu1 N1 81.5(5) .
O1 Cu1 N1 160.3(5) .
N16 Cu1 N1 100.2(5) .
N2 Cu1 O7 102.4(5) .
O1 Cu1 O7 91.5(4) .
N16 Cu1 O7 74.1(4) .
N1 Cu1 O7 90.4(4) .
N6 Cu2 O3 79.2(5) .
N6 Cu2 N4 178.8(5) .
O3 Cu2 N4 100.0(5) .
N6 Cu2 N5 79.9(5) .
O3 Cu2 N5 158.6(5) .
N4 Cu2 N5 100.9(5) .
N6 Cu2 O1 105.4(4) .
O3 Cu2 O1 92.6(4) .
N4 Cu2 O1 73.8(4) .
N5 Cu2 O1 88.8(4) .
N10 Cu3 N8 178.5(5) .
N10 Cu3 O5 79.3(5) .
N8 Cu3 O5 102.1(5) .
N10 Cu3 N9 80.4(5) .
N8 Cu3 N9 98.2(5) .
O5 Cu3 N9 159.7(5) .
N10 Cu3 O3 107.0(5) .
N8 Cu3 O3 73.6(5) .
O5 Cu3 O3 91.5(4) .
N9 Cu3 O3 95.6(5) .
N14 Cu4 N12 175.1(5) .
N14 Cu4 O7 79.6(5) .
N12 Cu4 O7 100.7(5) .
N14 Cu4 N13 80.3(6) .
N12 Cu4 N13 99.2(5) .
O7 Cu4 N13 159.8(5) .
N14 Cu4 O5 101.7(5) .
N12 Cu4 O5 73.5(4) .
O7 Cu4 O5 90.6(4) .
N13 Cu4 O5 91.8(5) .
N14 Cu4 I1 95.4(4) .
N12 Cu4 I1 89.5(4) .
O7 Cu4 I1 92.2(3) .
N13 Cu4 I1 91.3(4) .
O5 Cu4 I1 163.0(2) .
I4 Cu5 I5 139.3(3) .
I4 Cu5 I5 118.1(2) 2_557
I5 Cu5 I5 102.5(2) 2_557
Cu5 I5 Cu5 77.5(2) 2_557
C8 O1 Cu1 108.9(9) .
C8 O1 Cu2 110.9(9) .
Cu1 O1 Cu2 140.2(5) .
N4 O2 H2 109.5 .
C18 O3 Cu2 111.1(10) .
C18 O3 Cu3 109.9(10) .
Cu2 O3 Cu3 138.9(5) .
N8 O4 H4 109.5 .
C28 O5 Cu3 109.0(9) .
C28 O5 Cu4 110.5(9) .
Cu3 O5 Cu4 140.4(5) .
N12 O6 H6 109.5 .
C38 O7 Cu4 110.0(9) .
C38 O7 Cu1 109.8(9) .
Cu4 O7 Cu1 140.2(5) .
N16 O8 H8 109.5 .
C1 N1 C5 119.7(14) .
C1 N1 Cu1 129.2(11) .
C5 N1 Cu1 110.9(10) .
C6 N2 N3 121.9(13) .
C6 N2 Cu1 118.5(11) .
N3 N2 Cu1 119.6(9) .
C8 N3 N2 105.8(12) .
C9 N4 O2 113.0(13) .
C9 N4 Cu2 124.5(10) .
O2 N4 Cu2 122.6(10) .
C11 N5 C15 118.4(15) .
C11 N5 Cu2 128.2(13) .
C15 N5 Cu2 113.4(11) .
C16 N6 N7 121.4(14) .
C16 N6 Cu2 121.4(12) .
N7 N6 Cu2 117.2(9) .
C18 N7 N6 107.9(12) .
C19 N8 O4 114.0(13) .
C19 N8 Cu3 124.4(11) .
O4 N8 Cu3 121.4(11) .
C21 N9 C25 118.5(14) .
C21 N9 Cu3 130.1(12) .
C25 N9 Cu3 111.3(11) .
C26 N10 N11 122.7(13) .
C26 N10 Cu3 119.5(11) .
N11 N10 Cu3 117.6(9) .
C28 N11 N10 107.3(12) .
C29 N12 O6 114.2(13) .
C29 N12 Cu4 123.6(11) .
O6 N12 Cu4 122.1(9) .
C31 N13 C35 119.1(15) .
C31 N13 Cu4 130.3(12) .
C35 N13 Cu4 110.3(12) .
C36 N14 N15 121.1(14) .
C36 N14 Cu4 121.3(12) .
N15 N14 Cu4 117.6(10) .
C38 N15 N14 107.5(12) .
C38 N15 H15A 110.2 .
N14 N15 H15A 110.2 .
C38 N15 H15B 110.2 .
N14 N15 H15B 110.2 .
H15A N15 H15B 108.5 .
C39 N16 O8 114.1(13) .
C39 N16 Cu1 121.9(10) .
O8 N16 Cu1 123.7(10) .
N1 C1 C2 124.7(18) .
N1 C1 H1 117.6 .
C2 C1 H1 117.6 .
C1 C2 C3 115(2) .
C1 C2 H2A 122.5 .
C3 C2 H2A 122.5 .
C4 C3 C2 121.4(19) .
C4 C3 H3 119.3 .
C2 C3 H3 119.3 .
C5 C4 C3 120.1(19) .
C5 C4 H4A 119.9 .
C3 C4 H4A 119.9 .
C4 C5 N1 118.7(16) .
C4 C5 C6 127.1(16) .
N1 C5 C6 114.2(13) .
N2 C6 C5 114.6(13) .
N2 C6 C7 122.1(16) .
C5 C6 C7 123.2(15) .
C6 C7 H7A 109.5 .
C6 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C6 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
O1 C8 N3 126.6(14) .
O1 C8 C9 117.1(13) .
N3 C8 C9 116.3(13) .
N4 C9 C10 124.3(15) .
N4 C9 C8 113.7(13) .
C10 C9 C8 122.0(15) .
C9 C10 H10A 109.5 .
C9 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C9 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
N5 C11 C12 122.6(19) .
N5 C11 H11 118.7 .
C12 C11 H11 118.7 .
C11 C12 C13 118.1(18) .
C11 C12 H12 120.9 .
C13 C12 H12 120.9 .
C14 C13 C12 120.0(18) .
C14 C13 H13 120.0 .
C12 C13 H13 120.0 .
C13 C14 C15 120.1(19) .
C13 C14 H14 119.9 .
C15 C14 H14 119.9 .
N5 C15 C14 120.5(17) .
N5 C15 C16 112.9(15) .
C14 C15 C16 126.4(17) .
N6 C16 C17 127.5(17) .
N6 C16 C15 112.3(15) .
C17 C16 C15 120.1(16) .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
O3 C18 N7 124.5(15) .
O3 C18 C19 121.0(14) .
N7 C18 C19 114.5(14) .
N8 C19 C20 123.9(14) .
N8 C19 C18 110.8(14) .
C20 C19 C18 125.2(15) .
C19 C20 H20A 109.5 .
C19 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
C19 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
N9 C21 C22 122.5(19) .
N9 C21 H21 118.7 .
C22 C21 H21 118.7 .
C23 C22 C21 119(2) .
C23 C22 H22 120.4 .
C21 C22 H22 120.4 .
C22 C23 C24 120(2) .
C22 C23 H23 119.8 .
C24 C23 H23 119.8 .
C23 C24 C25 120(2) .
C23 C24 H24 120.2 .
C25 C24 H24 120.2 .
N9 C25 C24 119.7(18) .
N9 C25 C26 115.6(13) .
C24 C25 C26 124.6(17) .
N10 C26 C27 124.5(16) .
N10 C26 C25 112.9(14) .
C27 C26 C25 122.5(15) .
C26 C27 H27A 109.5 .
C26 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C26 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
O5 C28 N11 126.8(14) .
O5 C28 C29 117.2(14) .
N11 C28 C29 116.0(13) .
N12 C29 C28 115.0(14) .
N12 C29 C30 125.2(15) .
C28 C29 C30 119.8(15) .
C29 C30 H30A 109.5 .
C29 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C29 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
N13 C31 C32 124.3(18) .
N13 C31 H31 117.9 .
C32 C31 H31 117.9 .
C33 C32 C31 120(2) .
C33 C32 H32 120.1 .
C31 C32 H32 120.1 .
C32 C33 C34 117.9(19) .
C32 C33 H33 121.0 .
C34 C33 H33 121.0 .
C35 C34 C33 119(2) .
C35 C34 H34 120.4 .
C33 C34 H34 120.4 .
N13 C35 C34 119.3(19) .
N13 C35 C36 116.4(15) .
C34 C35 C36 124.0(18) .
N14 C36 C35 111.0(15) .
N14 C36 C37 122.2(17) .
C35 C36 C37 126.7(16) .
C36 C37 H37A 109.5 .
C36 C37 H37B 109.5 .
H37A C37 H37B 109.5 .
C36 C37 H37C 109.5 .
H37A C37 H37C 109.5 .
H37B C37 H37C 109.5 .
O7 C38 N15 125.3(15) .
O7 C38 C39 118.7(13) .
N15 C38 C39 116.0(13) .
N16 C39 C38 115.2(13) .
N16 C39 C40 122.5(15) .
C38 C39 C40 122.2(15) .
C39 C40 H40A 109.5 .
C39 C40 H40B 109.5 .
H40A C40 H40B 109.5 .
C39 C40 H40C 109.5 .
H40A C40 H40C 109.5 .
H40B C40 H40C 109.5 .
N17 C41 C42 178(3) .
C41 C42 H42A 109.5 .
C41 C42 H42B 109.5 .
H42A C42 H42B 109.5 .
C41 C42 H42C 109.5 .
H42A C42 H42C 109.5 .
H42B C42 H42C 109.5 .
N18 C43 C44 176(4) .
C43 C44 H44A 109.5 .
C43 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
C43 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 1.915(12) .
Cu1 O1 2.003(10) .
Cu1 N16 2.017(12) .
Cu1 N1 2.023(12) .
Cu1 O7 2.327(10) .
Cu2 N6 1.912(12) .
Cu2 O3 1.985(10) .
Cu2 N4 1.994(13) .
Cu2 N5 2.015(13) .
Cu2 O1 2.326(10) .
Cu3 N10 1.930(12) .
Cu3 N8 1.997(14) .
Cu3 O5 2.012(10) .
Cu3 N9 2.039(12) .
Cu3 O3 2.304(10) .
Cu4 N14 1.905(13) .
Cu4 N12 1.991(13) .
Cu4 O7 2.011(10) .
Cu4 N13 2.023(14) .
Cu4 O5 2.336(10) .
Cu4 I1 3.085(2) .
Cu5 I4 2.475(7) .
Cu5 I5 2.545(6) .
Cu5 I5 2.646(6) 2_557
I5 Cu5 2.646(6) 2_557
O1 C8 1.291(17) .
O2 N4 1.378(16) .
O2 H2 0.8200 .
O3 C18 1.261(18) .
O4 N8 1.384(17) .
O4 H4 0.8200 .
O5 C28 1.277(17) .
O6 N12 1.383(16) .
O6 H6 0.8200 .
O7 C38 1.269(17) .
O8 N16 1.366(16) .
O8 H8 0.8200 .
N1 C1 1.31(2) .
N1 C5 1.40(2) .
N2 C6 1.302(19) .
N2 N3 1.375(17) .
N3 C8 1.330(19) .
N4 C9 1.29(2) .
N5 C11 1.33(2) .
N5 C15 1.35(2) .
N6 C16 1.25(2) .
N6 N7 1.391(17) .
N7 C18 1.33(2) .
N8 C19 1.31(2) .
N9 C21 1.32(2) .
N9 C25 1.36(2) .
N10 C26 1.288(19) .
N10 N11 1.384(17) .
N11 C28 1.32(2) .
N12 C29 1.29(2) .
N13 C31 1.28(2) .
N13 C35 1.37(2) .
N14 C36 1.28(2) .
N14 N15 1.405(19) .
N15 C38 1.33(2) .
N15 H15A 0.9000 .
N15 H15B 0.9000 .
N16 C39 1.28(2) .
N17 C41 1.16(3) .
N18 C43 1.10(4) .
C1 C2 1.38(2) .
C1 H1 0.9300 .
C2 C3 1.40(3) .
C2 H2A 0.9300 .
C3 C4 1.37(3) .
C3 H3 0.9300 .
C4 C5 1.36(2) .
C4 H4A 0.9300 .
C5 C6 1.45(2) .
C6 C7 1.51(2) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C9 1.50(2) .
C9 C10 1.49(2) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.38(2) .
C11 H11 0.9300 .
C12 C13 1.38(3) .
C12 H12 0.9300 .
C13 C14 1.32(3) .
C13 H13 0.9300 .
C14 C15 1.41(2) .
C14 H14 0.9300 .
C15 C16 1.52(3) .
C16 C17 1.48(2) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.47(2) .
C19 C20 1.45(2) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.37(3) .
C21 H21 0.9300 .
C22 C23 1.33(3) .
C22 H22 0.9300 .
C23 C24 1.34(3) .
C23 H23 0.9300 .
C24 C25 1.39(2) .
C24 H24 0.9300 .
C25 C26 1.47(2) .
C26 C27 1.45(2) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C29 1.47(2) .
C29 C30 1.49(2) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.36(3) .
C31 H31 0.9300 .
C32 C33 1.34(3) .
C32 H32 0.9300 .
C33 C34 1.40(3) .
C33 H33 0.9300 .
C34 C35 1.39(2) .
C34 H34 0.9300 .
C35 C36 1.46(3) .
C36 C37 1.51(2) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 C39 1.47(2) .
C39 C40 1.50(2) .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.46(3) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 C44 1.48(5) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
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
O4 H4 I5 0.82 2.62 3.293(15) 140.3 1_665
O6 H6 I1 0.82 2.59 3.309(13) 147.3 .
O8 H8 I3 0.82 2.70 3.327(13) 135.0 .
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
I4 Cu5 I5 Cu5 -176.6(5) . 2_557
I5 Cu5 I5 Cu5 0.0 2_557 2_557
N2 Cu1 O1 C8 -1.8(10) . .
N16 Cu1 O1 C8 -178.3(10) . .
N1 Cu1 O1 C8 -9(2) . .
O7 Cu1 O1 C8 -104.2(10) . .
N2 Cu1 O1 Cu2 179.0(9) . .
N16 Cu1 O1 Cu2 2.5(9) . .
N1 Cu1 O1 Cu2 171.8(11) . .
O7 Cu1 O1 Cu2 76.6(8) . .
N6 Cu2 O1 C8 -178.8(10) . .
O3 Cu2 O1 C8 101.6(10) . .
N4 Cu2 O1 C8 2.0(10) . .
N5 Cu2 O1 C8 -99.7(10) . .
N6 Cu2 O1 Cu1 0.3(10) . .
O3 Cu2 O1 Cu1 -79.2(9) . .
N4 Cu2 O1 Cu1 -178.8(9) . .
N5 Cu2 O1 Cu1 79.5(9) . .
N6 Cu2 O3 C18 2.3(10) . .
N4 Cu2 O3 C18 -178.6(10) . .
N5 Cu2 O3 C18 14.3(18) . .
O1 Cu2 O3 C18 107.5(10) . .
N6 Cu2 O3 Cu3 179.3(8) . .
N4 Cu2 O3 Cu3 -1.5(8) . .
N5 Cu2 O3 Cu3 -168.7(10) . .
O1 Cu2 O3 Cu3 -75.4(7) . .
N10 Cu3 O3 C18 175.9(10) . .
N8 Cu3 O3 C18 -2.7(10) . .
O5 Cu3 O3 C18 -104.9(10) . .
N9 Cu3 O3 C18 94.2(10) . .
N10 Cu3 O3 Cu2 -1.2(9) . .
N8 Cu3 O3 Cu2 -179.8(9) . .
O5 Cu3 O3 Cu2 78.0(8) . .
N9 Cu3 O3 Cu2 -82.9(8) . .
N10 Cu3 O5 C28 0.0(10) . .
N8 Cu3 O5 C28 179.5(10) . .
N9 Cu3 O5 C28 3.6(19) . .
O3 Cu3 O5 C28 -107.0(10) . .
N10 Cu3 O5 Cu4 -174.9(9) . .
N8 Cu3 O5 Cu4 4.5(9) . .
N9 Cu3 O5 Cu4 -171.4(11) . .
O3 Cu3 O5 Cu4 78.1(8) . .
N14 Cu4 O5 C28 -176.7(10) . .
N12 Cu4 O5 C28 2.9(10) . .
O7 Cu4 O5 C28 103.8(10) . .
N13 Cu4 O5 C28 -96.2(10) . .
I1 Cu4 O5 C28 4.2(16) . .
N14 Cu4 O5 Cu3 -1.8(9) . .
N12 Cu4 O5 Cu3 177.8(9) . .
O7 Cu4 O5 Cu3 -81.3(8) . .
N13 Cu4 O5 Cu3 78.7(9) . .
I1 Cu4 O5 Cu3 179.1(2) . .
N14 Cu4 O7 C38 1.2(10) . .
N12 Cu4 O7 C38 176.3(10) . .
N13 Cu4 O7 C38 6(2) . .
O5 Cu4 O7 C38 102.9(10) . .
I1 Cu4 O7 C38 -93.8(9) . .
N14 Cu4 O7 Cu1 -177.1(9) . .
N12 Cu4 O7 Cu1 -2.1(9) . .
N13 Cu4 O7 Cu1 -172.3(11) . .
O5 Cu4 O7 Cu1 -75.4(8) . .
I1 Cu4 O7 Cu1 87.8(8) . .
N2 Cu1 O7 C38 -179.2(10) . .
O1 Cu1 O7 C38 -100.1(10) . .
N16 Cu1 O7 C38 -1.0(10) . .
N1 Cu1 O7 C38 99.5(10) . .
N2 Cu1 O7 Cu4 -0.8(9) . .
O1 Cu1 O7 Cu4 78.2(8) . .
N16 Cu1 O7 Cu4 177.3(9) . .
N1 Cu1 O7 Cu4 -82.2(9) . .
N2 Cu1 N1 C1 -176.6(15) . .
O1 Cu1 N1 C1 -169.4(14) . .
N16 Cu1 N1 C1 -0.2(15) . .
O7 Cu1 N1 C1 -74.1(15) . .
N2 Cu1 N1 C5 -2.2(10) . .
O1 Cu1 N1 C5 5(2) . .
N16 Cu1 N1 C5 174.3(10) . .
O7 Cu1 N1 C5 100.3(10) . .
O1 Cu1 N2 C6 -178.5(12) . .
N16 Cu1 N2 C6 -117(8) . .
N1 Cu1 N2 C6 -0.9(12) . .
O7 Cu1 N2 C6 -89.4(12) . .
O1 Cu1 N2 N3 3.5(10) . .
N16 Cu1 N2 N3 65(8) . .
N1 Cu1 N2 N3 -178.9(11) . .
O7 Cu1 N2 N3 92.6(11) . .
C6 N2 N3 C8 177.9(14) . .
Cu1 N2 N3 C8 -4.2(16) . .
N6 Cu2 N4 C9 -47(26) . .
O3 Cu2 N4 C9 -91.2(13) . .
N5 Cu2 N4 C9 84.1(13) . .
O1 Cu2 N4 C9 -1.4(12) . .
N6 Cu2 N4 O2 133(26) . .
O3 Cu2 N4 O2 88.8(11) . .
N5 Cu2 N4 O2 -96.0(11) . .
O1 Cu2 N4 O2 178.6(12) . .
N6 Cu2 N5 C11 173.4(15) . .
O3 Cu2 N5 C11 161.4(13) . .
N4 Cu2 N5 C11 -5.7(15) . .
O1 Cu2 N5 C11 67.5(14) . .
N6 Cu2 N5 C15 -3.7(10) . .
O3 Cu2 N5 C15 -16(2) . .
N4 Cu2 N5 C15 177.2(10) . .
O1 Cu2 N5 C15 -109.6(10) . .
O3 Cu2 N6 C16 179.3(13) . .
N4 Cu2 N6 C16 135(26) . .
N5 Cu2 N6 C16 3.7(12) . .
O1 Cu2 N6 C16 89.6(12) . .
O3 Cu2 N6 N7 -2.0(9) . .
N4 Cu2 N6 N7 -47(26) . .
N5 Cu2 N6 N7 -177.6(10) . .
O1 Cu2 N6 N7 -91.8(10) . .
C16 N6 N7 C18 -180.0(14) . .
Cu2 N6 N7 C18 1.4(15) . .
N10 Cu3 N8 C19 -109(22) . .
O5 Cu3 N8 C19 92.3(13) . .
N9 Cu3 N8 C19 -89.1(13) . .
O3 Cu3 N8 C19 4.4(12) . .
N10 Cu3 N8 O4 67(22) . .
O5 Cu3 N8 O4 -91.7(12) . .
N9 Cu3 N8 O4 86.8(12) . .
O3 Cu3 N8 O4 -179.7(12) . .
N10 Cu3 N9 C21 -176.9(17) . .
N8 Cu3 N9 C21 3.6(17) . .
O5 Cu3 N9 C21 179.6(15) . .
O3 Cu3 N9 C21 -70.6(16) . .
N10 Cu3 N9 C25 -0.8(11) . .
N8 Cu3 N9 C25 179.7(11) . .
O5 Cu3 N9 C25 -4(2) . .
O3 Cu3 N9 C25 105.5(11) . .
N8 Cu3 N10 C26 17(23) . .
O5 Cu3 N10 C26 176.3(14) . .
N9 Cu3 N10 C26 -2.5(13) . .
O3 Cu3 N10 C26 -95.5(13) . .
N8 Cu3 N10 N11 -158(21) . .
O5 Cu3 N10 N11 0.5(10) . .
N9 Cu3 N10 N11 -178.3(12) . .
O3 Cu3 N10 N11 88.8(11) . .
C26 N10 N11 C28 -176.5(15) . .
Cu3 N10 N11 C28 -0.8(16) . .
N14 Cu4 N12 C29 3(7) . .
O7 Cu4 N12 C29 -90.0(13) . .
N13 Cu4 N12 C29 86.6(13) . .
O5 Cu4 N12 C29 -2.5(12) . .
I1 Cu4 N12 C29 177.9(13) . .
N14 Cu4 N12 O6 -176(6) . .
O7 Cu4 N12 O6 91.0(12) . .
N13 Cu4 N12 O6 -92.4(12) . .
O5 Cu4 N12 O6 178.5(12) . .
I1 Cu4 N12 O6 -1.1(11) . .
N14 Cu4 N13 C31 177.5(17) . .
N12 Cu4 N13 C31 2.4(17) . .
O7 Cu4 N13 C31 172.7(14) . .
O5 Cu4 N13 C31 76.0(16) . .
I1 Cu4 N13 C31 -87.3(16) . .
N14 Cu4 N13 C35 4.0(11) . .
N12 Cu4 N13 C35 -171.1(10) . .
O7 Cu4 N13 C35 -1(2) . .
O5 Cu4 N13 C35 -97.5(11) . .
I1 Cu4 N13 C35 99.2(10) . .
N12 Cu4 N14 C36 86(7) . .
O7 Cu4 N14 C36 179.4(14) . .
N13 Cu4 N14 C36 1.0(13) . .
O5 Cu4 N14 C36 90.9(13) . .
I1 Cu4 N14 C36 -89.4(13) . .
N12 Cu4 N14 N15 -96(7) . .
O7 Cu4 N14 N15 -2.1(10) . .
N13 Cu4 N14 N15 179.5(12) . .
O5 Cu4 N14 N15 -90.6(11) . .
I1 Cu4 N14 N15 89.1(11) . .
C36 N14 N15 C38 -179.0(15) . .
Cu4 N14 N15 C38 2.6(16) . .
N2 Cu1 N16 C39 33(8) . .
O1 Cu1 N16 C39 93.3(12) . .
N1 Cu1 N16 C39 -83.0(12) . .
O7 Cu1 N16 C39 4.4(11) . .
N2 Cu1 N16 O8 -154(7) . .
O1 Cu1 N16 O8 -92.8(12) . .
N1 Cu1 N16 O8 90.9(12) . .
O7 Cu1 N16 O8 178.3(12) . .
C5 N1 C1 C2 2(3) . .
Cu1 N1 C1 C2 175.7(15) . .
N1 C1 C2 C3 -4(3) . .
C1 C2 C3 C4 6(3) . .
C2 C3 C4 C5 -5(3) . .
C3 C4 C5 N1 3(3) . .
C3 C4 C5 C6 -177.8(18) . .
C1 N1 C5 C4 -1(2) . .
Cu1 N1 C5 C4 -175.6(13) . .
C1 N1 C5 C6 179.7(15) . .
Cu1 N1 C5 C6 4.6(16) . .
N3 N2 C6 C5 -178.2(13) . .
Cu1 N2 C6 C5 3.8(18) . .
N3 N2 C6 C7 0(2) . .
Cu1 N2 C6 C7 -178.2(13) . .
C4 C5 C6 N2 174.7(17) . .
N1 C5 C6 N2 -6(2) . .
C4 C5 C6 C7 -3(3) . .
N1 C5 C6 C7 176.4(15) . .
Cu1 O1 C8 N3 -0.1(19) . .
Cu2 O1 C8 N3 179.4(13) . .
Cu1 O1 C8 C9 178.1(10) . .
Cu2 O1 C8 C9 -2.4(16) . .
N2 N3 C8 O1 3(2) . .
N2 N3 C8 C9 -175.6(12) . .
O2 N4 C9 C10 1(2) . .
Cu2 N4 C9 C10 -179.2(13) . .
O2 N4 C9 C8 -179.4(12) . .
Cu2 N4 C9 C8 0.6(19) . .
O1 C8 C9 N4 1(2) . .
N3 C8 C9 N4 179.9(14) . .
O1 C8 C9 C10 -178.8(15) . .
N3 C8 C9 C10 0(2) . .
C15 N5 C11 C12 -1(3) . .
Cu2 N5 C11 C12 -178.3(13) . .
N5 C11 C12 C13 -2(3) . .
C11 C12 C13 C14 5(3) . .
C12 C13 C14 C15 -4(3) . .
C11 N5 C15 C14 3(2) . .
Cu2 N5 C15 C14 180.0(12) . .
C11 N5 C15 C16 -174.1(14) . .
Cu2 N5 C15 C16 3.3(15) . .
C13 C14 C15 N5 0(3) . .
C13 C14 C15 C16 176.1(16) . .
N7 N6 C16 C17 2(2) . .
Cu2 N6 C16 C17 -179.5(13) . .
N7 N6 C16 C15 178.6(12) . .
Cu2 N6 C16 C15 -2.9(17) . .
N5 C15 C16 N6 -0.5(19) . .
C14 C15 C16 N6 -177.0(15) . .
N5 C15 C16 C17 176.4(14) . .
C14 C15 C16 C17 0(2) . .
Cu2 O3 C18 N7 -2.4(19) . .
Cu3 O3 C18 N7 179.6(12) . .
Cu2 O3 C18 C19 179.2(11) . .
Cu3 O3 C18 C19 1.2(17) . .
N6 N7 C18 O3 1(2) . .
N6 N7 C18 C19 179.3(12) . .
O4 N8 C19 C20 1(2) . .
Cu3 N8 C19 C20 177.1(13) . .
O4 N8 C19 C18 178.9(13) . .
Cu3 N8 C19 C18 -5.0(18) . .
O3 C18 C19 N8 2(2) . .
N7 C18 C19 N8 -176.6(13) . .
O3 C18 C19 C20 179.8(15) . .
N7 C18 C19 C20 1(2) . .
C25 N9 C21 C22 -1(3) . .
Cu3 N9 C21 C22 175.3(15) . .
N9 C21 C22 C23 1(3) . .
C21 C22 C23 C24 -1(3) . .
C22 C23 C24 C25 0(3) . .
C21 N9 C25 C24 0(3) . .
Cu3 N9 C25 C24 -176.1(14) . .
C21 N9 C25 C26 -179.8(16) . .
Cu3 N9 C25 C26 3.6(18) . .
C23 C24 C25 N9 0(3) . .
C23 C24 C25 C26 179.9(19) . .
N11 N10 C26 C27 4(3) . .
Cu3 N10 C26 C27 -171.9(16) . .
N11 N10 C26 C25 -179.5(14) . .
Cu3 N10 C26 C25 5(2) . .
N9 C25 C26 N10 -6(2) . .
C24 C25 C26 N10 174.1(17) . .
N9 C25 C26 C27 171.4(18) . .
C24 C25 C26 C27 -9(3) . .
Cu3 O5 C28 N11 -0.6(19) . .
Cu4 O5 C28 N11 176.0(13) . .
Cu3 O5 C28 C29 -179.5(11) . .
Cu4 O5 C28 C29 -3.0(16) . .
N10 N11 C28 O5 1(2) . .
N10 N11 C28 C29 179.9(13) . .
O6 N12 C29 C28 -179.1(13) . .
Cu4 N12 C29 C28 2(2) . .
O6 N12 C29 C30 1(2) . .
Cu4 N12 C29 C30 -177.9(13) . .
O5 C28 C29 N12 1(2) . .
N11 C28 C29 N12 -177.8(14) . .
O5 C28 C29 C30 -179.1(14) . .
N11 C28 C29 C30 2(2) . .
C35 N13 C31 C32 -4(3) . .
Cu4 N13 C31 C32 -177.2(15) . .
N13 C31 C32 C33 6(3) . .
C31 C32 C33 C34 -6(3) . .
C32 C33 C34 C35 6(3) . .
C31 N13 C35 C34 4(2) . .
Cu4 N13 C35 C34 177.8(13) . .
C31 N13 C35 C36 177.6(16) . .
Cu4 N13 C35 C36 -8.1(17) . .
C33 C34 C35 N13 -4(3) . .
C33 C34 C35 C36 -178.0(18) . .
N15 N14 C36 C35 176.0(13) . .
Cu4 N14 C36 C35 -5.5(19) . .
N15 N14 C36 C37 -2(2) . .
Cu4 N14 C36 C37 176.0(13) . .
N13 C35 C36 N14 9(2) . .
C34 C35 C36 N14 -177.3(17) . .
N13 C35 C36 C37 -172.6(16) . .
C34 C35 C36 C37 1(3) . .
Cu4 O7 C38 N15 -0.1(19) . .
Cu1 O7 C38 N15 178.8(13) . .
Cu4 O7 C38 C39 179.3(11) . .
Cu1 O7 C38 C39 -1.8(16) . .
N14 N15 C38 O7 -2(2) . .
N14 N15 C38 C39 179.1(12) . .
O8 N16 C39 C38 178.8(12) . .
Cu1 N16 C39 C38 -6.8(18) . .
O8 N16 C39 C40 1(2) . .
Cu1 N16 C39 C40 175.4(12) . .
O7 C38 C39 N16 5(2) . .
N15 C38 C39 N16 -175.1(13) . .
O7 C38 C39 C40 -176.7(15) . .
N15 C38 C39 C40 3(2) . .
