#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/52/4315267.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_4315267
loop_
_publ_author_name
'Jun Wang'
'Zai-Chao Zhang'
'Hui-Sheng Wang'
'Ling-Chen Kang'
'Hong-Bo Zhou'
'You Song'
'Xiao-Zeng You'
_publ_section_title
;
 Eicosanuclear Cluster [Cu13W7] of Copper-Octacyanotungstate Bimetallic
 Assembly: Synthesis, Structure, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3101
_journal_page_last               3103
_journal_paper_doi               10.1021/ic100282w
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety
;
C164 H254 Cu13 N92 O W7, 3.2(H4 O2), 8(H1.20 O0.60),
 16(H0.80 O0.40), 16(H0.80 O0.40) 
;
_chemical_formula_sum            'C164 H302 Cu13 N92 O25 W7'
_chemical_formula_weight         6076.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           107
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   31.2762(12)
_cell_length_b                   31.2762(12)
_cell_length_c                   16.1133(18)
_cell_measurement_reflns_used    5678
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      23.02
_cell_measurement_theta_min      2.35
_cell_volume                     15762(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and 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  0.0768
_diffrn_reflns_av_sigmaI/netI    0.0797
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43299
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    3.454
_exptl_absorpt_correction_T_max  0.501
_exptl_absorpt_correction_T_min  0.418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6050
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.727
_refine_diff_density_min         -1.894
_refine_diff_density_rms         0.115
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         8220
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.06P)²+1.99P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1123
_reflns_number_gt                6642
_reflns_number_total             8220
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100282w_si_002.cif
_cod_data_source_block           Cu13W7
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_Hall     'I 4 -2 '
_cod_original_sg_symbol_H-M      'I 4 m m '
_cod_database_code               4315267
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x, z'
'-x, -y, z'
'y, -x, z'
'-x, y, z'
'-y, -x, z'
'x, -y, z'
'y, x, z'
'x+1/2, y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'y+1/2, x+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
C1 C 0.0000 0.0984(4) 0.5900(7) 0.041(3) Uani 1 2 d S . .
C2 C 0.0557(2) 0.1529(2) 0.5414(5) 0.0349(17) Uani 1 1 d . . .
C3 C 0.0414(2) 0.1430(2) 0.7120(5) 0.0360(17) Uani 1 1 d . . .
C4 C -0.0409(3) 0.2181(3) 0.6509(5) 0.0404(19) Uani 1 1 d . . .
C5 C 0.0000 0.2069(4) 0.5080(7) 0.041(3) Uani 1 2 d S . .
C6 C 0.0420(2) 0.0420(2) 0.9436(7) 0.036(2) Uani 1 2 d S . .
C7 C 0.0589(4) 0.0000 1.0852(8) 0.044(3) Uani 1 2 d S . .
C8 C -0.1809(5) 0.2619(5) 0.6201(12) 0.042(4) Uani 0.50 1 d P . .
C9 C -0.2229(5) 0.2743(6) 0.4646(11) 0.045(4) Uani 0.50 1 d P . .
C10 C -0.2497(5) 0.3143(5) 0.5948(10) 0.039(4) Uani 0.50 1 d P . .
C11 C -0.2489(5) 0.2489(5) 0.7087(15) 0.037(5) Uani 0.50 2 d SP . .
C12 C -0.1995(5) 0.1995(5) 0.5258(13) 0.034(5) Uani 0.50 2 d SP . .
C13 C 0.1213(2) 0.0641(3) 0.2867(5) 0.0378(18) Uani 1 1 d . . .
H13A H 0.1175 0.0343 0.3016 0.045 Uiso 1 1 calc R . .
H13B H 0.1145 0.0670 0.2283 0.045 Uiso 1 1 calc R . .
C14 C 0.1671(2) 0.0761(2) 0.3000(5) 0.0377(17) Uani 1 1 d . . .
H14A H 0.1802 0.0777 0.2455 0.045 Uiso 1 1 calc R . .
H14B H 0.1805 0.0524 0.3286 0.045 Uiso 1 1 calc R . .
C15 C 0.2235(2) 0.1060(2) 0.3836(4) 0.0346(17) Uani 1 1 d . . .
H15A H 0.2331 0.0787 0.3639 0.052 Uiso 1 1 calc R . .
H15B H 0.2211 0.1053 0.4429 0.052 Uiso 1 1 calc R . .
H15C H 0.2436 0.1277 0.3676 0.052 Uiso 1 1 calc R . .
C16 C 0.1866(3) 0.1535(3) 0.2851(5) 0.043(2) Uani 1 1 d . . .
H16A H 0.2138 0.1669 0.2979 0.052 Uiso 1 1 calc R . .
H16B H 0.1887 0.1419 0.2294 0.052 Uiso 1 1 calc R . .
C17 C 0.0596(3) 0.0596(3) 0.3776(8) 0.045(3) Uani 1 2 d S . .
H17A H 0.0442 0.0441 0.3357 0.068 Uiso 1 2 calc SR . .
H17B H 0.0397 0.0753 0.4114 0.068 Uiso 0.50 1 calc PR . .
H17C H 0.0752 0.0399 0.4117 0.068 Uiso 0.50 1 calc PR . .
C18 C 0.2008(3) 0.1452(3) 0.8252(5) 0.0410(19) Uani 1 1 d . . .
H18A H 0.2167 0.1704 0.8419 0.049 Uiso 1 1 calc R . .
H18B H 0.2155 0.1329 0.7779 0.049 Uiso 1 1 calc R . .
C19 C 0.2031(3) 0.1131(3) 0.8955(5) 0.044(2) Uani 1 1 d . . .
H19A H 0.2192 0.0884 0.8771 0.053 Uiso 1 1 calc R . .
H19B H 0.2185 0.1259 0.9416 0.053 Uiso 1 1 calc R . .
C20 C 0.1609(3) 0.1609(3) 0.7022(7) 0.043(3) Uani 1 2 d S . .
H20A H 0.1335 0.1693 0.6809 0.064 Uiso 0.50 1 calc PR . .
H20B H 0.1683 0.1332 0.6808 0.064 Uiso 0.50 1 calc PR . .
H20C H 0.1821 0.1813 0.6853 0.064 Uiso 1 2 calc SR . .
C21 C 0.1493(3) 0.1160(3) 1.0081(5) 0.046(2) Uani 1 1 d . . .
H21A H 0.1395 0.0923 1.0419 0.055 Uiso 1 1 calc R . .
H21B H 0.1747 0.1275 1.0343 0.055 Uiso 1 1 calc R . .
C22 C 0.1645(3) 0.0504(2) 0.9349(6) 0.0429(19) Uani 1 1 d . . .
H22A H 0.1575 0.0367 0.8833 0.064 Uiso 1 1 calc R . .
H22B H 0.1448 0.0413 0.9770 0.064 Uiso 1 1 calc R . .
H22C H 0.1931 0.0429 0.9509 0.064 Uiso 1 1 calc R . .
C23 C -0.0193(5) 0.3392(5) 0.6968(9) 0.037(3) Uani 0.50 1 d P . .
H23A H -0.0184 0.3691 0.7102 0.044 Uiso 0.50 1 d PR . .
H23B H 0.0089 0.3282 0.7065 0.044 Uiso 0.50 1 d PR . .
C24 C -0.0269(5) 0.3365(5) 0.6026(10) 0.043(4) Uani 0.50 1 d P . .
H24A H -0.0147 0.3106 0.5811 0.051 Uiso 0.50 1 d PR . .
H24B H -0.0135 0.3603 0.5754 0.051 Uiso 0.50 1 d PR . .
C25 C -0.1046(5) 0.3710(5) 0.5904(10) 0.043(4) Uani 0.50 1 d P . .
H25A H -0.1204 0.3701 0.5386 0.051 Uiso 0.50 1 calc PR . .
H25B H -0.0879 0.3971 0.5891 0.051 Uiso 0.50 1 calc PR . .
C26 C -0.1379(5) 0.3771(5) 0.6588(10) 0.041(4) Uani 0.50 1 d P . .
H26A H -0.1371 0.4068 0.6761 0.049 Uiso 0.50 1 calc PR . .
H26B H -0.1659 0.3720 0.6350 0.049 Uiso 0.50 1 calc PR . .
C27 C -0.1055(5) 0.3708(5) 0.7944(10) 0.043(4) Uani 0.50 1 d P . .
H27A H -0.1222 0.3810 0.8412 0.051 Uiso 0.50 1 calc PR . .
H27B H -0.0918 0.3953 0.7687 0.051 Uiso 0.50 1 calc PR . .
C28 C -0.0715(5) 0.3399(5) 0.8249(10) 0.041(4) Uani 0.50 1 d P . .
H28A H -0.0852 0.3169 0.8555 0.049 Uiso 0.50 1 calc PR . .
H28B H -0.0524 0.3547 0.8626 0.049 Uiso 0.50 1 calc PR . .
C29 C -0.0185(5) 0.2865(5) 0.7973(10) 0.041(4) Uani 0.50 1 d P . .
H29A H 0.0053 0.2998 0.8245 0.062 Uiso 0.50 1 d PR . .
H29B H -0.0357 0.2718 0.8376 0.062 Uiso 0.50 1 d PR . .
H29C H -0.0082 0.2663 0.7571 0.062 Uiso 0.50 1 d PR . .
C30 C -0.1791(5) 0.3377(5) 0.7602(11) 0.045(4) Uani 0.50 1 d P . .
H30A H -0.1783 0.3233 0.8128 0.067 Uiso 0.50 1 calc PR . .
H30B H -0.1913 0.3190 0.7191 0.067 Uiso 0.50 1 calc PR . .
H30C H -0.1963 0.3630 0.7648 0.067 Uiso 0.50 1 calc PR . .
C31 C -0.0866(5) 0.3138(5) 0.5069(11) 0.044(4) Uani 0.50 1 d P . .
H31A H -0.1154 0.3034 0.5107 0.066 Uiso 0.50 1 calc PR . .
H31B H -0.0675 0.2901 0.4993 0.066 Uiso 0.50 1 calc PR . .
H31C H -0.0842 0.3329 0.4606 0.066 Uiso 0.50 1 calc PR . .
Cu1 Cu 0.0000 0.0000 0.59351(16) 0.0379(6) Uani 1 8 d S . .
Cu2 Cu 0.13110(3) 0.13110(3) 0.42513(8) 0.0322(3) Uani 1 2 d S . .
Cu3 Cu 0.11061(3) 0.11061(3) 0.84049(8) 0.0322(3) Uani 1 2 d S . .
Cu4 Cu -0.09631(7) 0.29745(7) 0.69448(13) 0.0427(5) Uani 0.50 1 d P . .
N1 N 0.0000 0.0622(3) 0.5883(5) 0.0335(19) Uani 1 2 d S . .
N2 N 0.0847(2) 0.1484(2) 0.5006(4) 0.0392(15) Uani 1 1 d . . .
N3 N 0.0651(2) 0.1305(2) 0.7622(4) 0.0364(15) Uani 1 1 d . . .
N4 N -0.0643(2) 0.2459(2) 0.6727(4) 0.0406(16) Uani 1 1 d . . .
N5 N 0.0000 0.2295(3) 0.4527(6) 0.046(2) Uani 1 2 d S . .
N6 N 0.0645(2) 0.0645(2) 0.9060(6) 0.041(2) Uani 1 2 d S . .
N7 N 0.0914(3) 0.0000 1.1239(6) 0.036(2) Uani 1 2 d S . .
N8 N -0.1465(4) 0.2750(4) 0.6357(8) 0.043(3) Uani 0.50 1 d P . .
N9 N -0.2106(4) 0.2914(4) 0.4067(8) 0.044(3) Uani 0.50 1 d P . .
N10 N -0.2525(4) 0.3505(4) 0.6045(8) 0.038(3) Uani 0.50 1 d P . .
N11 N -0.2498(4) 0.2498(4) 0.7788(11) 0.043(5) Uani 0.50 2 d SP . .
N12 N -0.1746(5) 0.1746(5) 0.4973(12) 0.042(5) Uani 0.50 2 d SP . .
N13 N 0.1799(2) 0.1161(2) 0.3457(4) 0.0377(15) Uani 1 1 d . . .
N14 N 0.0906(2) 0.0906(2) 0.3362(6) 0.044(2) Uani 1 2 d S . .
N15 N 0.1590(2) 0.1590(2) 0.7975(6) 0.037(2) Uani 1 2 d S . .
N16 N 0.1613(2) 0.0992(2) 0.9242(4) 0.0408(16) Uani 1 1 d . . .
N17 N -0.0454(4) 0.3208(4) 0.7541(8) 0.039(3) Uani 0.50 1 d P . .
N18 N -0.0750(4) 0.3373(4) 0.5866(9) 0.043(3) Uani 0.50 1 d P . .
N19 N -0.1337(4) 0.3500(4) 0.7344(8) 0.037(3) Uani 0.50 1 d P . .
O1 O 0.0000 0.0000 0.7403(10) 0.044(4) Uani 1 8 d S . .
H1A H 0.0000 -0.0256 0.7579 0.053 Uiso 0.25 2 d SPR . .
H1B H 0.0222 0.0128 0.7579 0.053 Uiso 0.125 1 d PR . .
O2 O 0.8070(4) 0.5000 0.6870(8) 0.042(3) Uani 0.60 2 d SP . .
H2D H 0.7827 0.4879 0.6841 0.051 Uiso 0.30 1 d PR . .
H2C H 0.8101 0.5110 0.7348 0.051 Uiso 0.30 1 d PR . .
O3 O 0.8365(4) 0.5000 0.5337(8) 0.041(3) Uani 0.60 2 d SP . .
H3D H 0.8270 0.5000 0.5831 0.049 Uiso 0.60 2 d SPR . .
H3A H 0.8609 0.5118 0.5326 0.049 Uiso 0.30 1 d PR . .
O4 O 0.9864(4) 0.3016(4) 0.3775(8) 0.041(4) Uani 0.40 1 d P . .
H4A H 0.9937 0.3056 0.3273 0.049 Uiso 0.40 1 d PR . .
H4C H 0.9725 0.2784 0.3814 0.049 Uiso 0.40 1 d PR . .
O5 O 1.0000 0.4534(3) 0.4966(6) 0.041(2) Uani 0.80 2 d SP . .
H5D H 1.0268 0.4493 0.4934 0.049 Uiso 0.40 1 d PR . .
H5C H 0.9931 0.4748 0.4670 0.049 Uiso 0.40 1 d PR . .
O6 O 0.9096(5) 0.5281(4) 0.2870(8) 0.042(3) Uani 0.40 1 d P . .
H6D H 0.8827 0.5259 0.2932 0.050 Uiso 0.40 1 d PR . .
H6C H 0.9178 0.5113 0.2488 0.050 Uiso 0.40 1 d PR . .
O7 O 0.4145(3) 0.0000 0.2228(6) 0.040(2) Uani 0.80 2 d SP . .
H7A H 0.4267 -0.0235 0.2110 0.048 Uiso 0.40 1 d PR . .
H7C H 0.3962 0.0059 0.1855 0.048 Uiso 0.40 1 d PR . .
O8 O 0.0626(4) 0.4611(4) 0.5691(8) 0.039(3) Uani 0.40 1 d P . .
H8B H 0.0716 0.4706 0.6153 0.046 Uiso 0.40 1 d PR . .
H8C H 0.0635 0.4809 0.5330 0.046 Uiso 0.40 1 d PR . .
O9 O 0.2484(4) 0.9341(4) 0.1251(9) 0.042(3) Uani 0.40 1 d P . .
H9B H 0.2740 0.9386 0.1405 0.050 Uiso 0.40 1 d PR . .
H9C H 0.2475 0.9320 0.0725 0.050 Uiso 0.40 1 d PR . .
W1 W 0.0000 0.167062(14) 0.61566(3) 0.03683(11) Uani 1 2 d S . .
W2 W 0.0000 0.0000 1.01526(5) 0.0351(2) Uani 1 8 d S . .
W3 W -0.24498(2) 0.24498(2) 0.57690(6) 0.0360(2) Uani 0.50 2 d SP . .
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'
Cu Cu 0.3201 1.2651 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 W1 170.5(10) . . ?
N2 C2 W1 175.1(7) . . ?
N3 C3 W1 177.3(7) . . ?
N4 C4 W1 177.9(7) . . ?
N5 C5 W1 177.3(11) . . ?
N6 C6 W2 179.5(11) . . ?
N7 C7 W2 179.9(10) . . ?
N8 C8 W3 171.6(14) . . ?
N9 C9 W3 177.0(15) . . ?
N10 C10 W3 179.5(16) . . ?
N11 C11 W3 177(2) . . ?
N12 C12 W3 180(2) . . ?
C14 C13 N14 113.4(7) . . ?
C14 C13 H13A 108.9 . . ?
N14 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
N14 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C13 C14 N13 122.3(6) . . ?
C13 C14 H14A 106.8 . . ?
N13 C14 H14A 106.8 . . ?
C13 C14 H14B 106.8 . . ?
N13 C14 H14B 106.8 . . ?
H14A C14 H14B 106.6 . . ?
N13 C15 H15A 109.5 . . ?
N13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C16 N13 116.2(4) 8 . ?
C16 C16 H16A 108.2 8 . ?
N13 C16 H16A 108.2 . . ?
C16 C16 H16B 108.2 8 . ?
N13 C16 H16B 108.2 . . ?
H16A C16 H16B 107.4 . . ?
N14 C17 H17A 109.5 . . ?
N14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N15 C18 C19 118.2(7) . . ?
N15 C18 H18A 107.7 . . ?
C19 C18 H18A 107.7 . . ?
N15 C18 H18B 107.7 . . ?
C19 C18 H18B 107.7 . . ?
H18A C18 H18B 107.1 . . ?
N16 C19 C18 113.2(7) . . ?
N16 C19 H19A 108.9 . . ?
C18 C19 H19A 108.9 . . ?
N16 C19 H19B 108.9 . . ?
C18 C19 H19B 108.9 . . ?
H19A C19 H19B 107.8 . . ?
N15 C20 H20A 109.5 . . ?
N15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C21 C21 N16 115.2(4) 8 . ?
C21 C21 H21A 108.5 8 . ?
N16 C21 H21A 108.5 . . ?
C21 C21 H21B 108.5 8 . ?
N16 C21 H21B 108.5 . . ?
H21A C21 H21B 107.5 . . ?
N16 C22 H22A 109.5 . . ?
N16 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N16 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C23 C23 N17 126.8(9) 5 . ?
C23 C23 C24 98.9(8) 5 . ?
N17 C23 C24 123.7(13) . . ?
C23 C23 H23A 88.2 5 . ?
N17 C23 H23A 106.1 . . ?
C24 C23 H23A 106.3 . . ?
N17 C23 H23B 106.8 . . ?
C24 C23 H23B 106.4 . . ?
H23A C23 H23B 106.4 . . ?
N18 C24 C23 108.5(13) . . ?
N18 C24 C24 170.2(8) . 5 ?
C23 C24 C24 81.1(8) . 5 ?
N18 C24 H24A 110.2 . . ?
C23 C24 H24A 109.9 . . ?
C24 C24 H24A 66.5 5 . ?
N18 C24 H24B 109.9 . . ?
C23 C24 H24B 109.9 . . ?
C24 C24 H24B 64.1 5 . ?
H24A C24 H24B 108.3 . . ?
N18 C25 C26 125.1(14) . . ?
N18 C25 H25A 106.0 . . ?
C26 C25 H25A 106.0 . . ?
N18 C25 H25B 106.0 . . ?
C26 C25 H25B 106.0 . . ?
H25A C25 H25B 106.3 . . ?
N19 C26 C25 117.2(13) . . ?
N19 C26 H26A 108.0 . . ?
C25 C26 H26A 108.0 . . ?
N19 C26 H26B 108.0 . . ?
C25 C26 H26B 108.0 . . ?
H26A C26 H26B 107.2 . . ?
N19 C27 C28 110.6(12) . . ?
N19 C27 H27A 109.5 . . ?
C28 C27 H27A 109.5 . . ?
N19 C27 H27B 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 108.1 . . ?
C27 C28 N17 112.5(13) . . ?
C27 C28 H28A 109.1 . . ?
N17 C28 H28A 109.1 . . ?
C27 C28 H28B 109.1 . . ?
N17 C28 H28B 109.1 . . ?
H28A C28 H28B 107.8 . . ?
C29 C29 N17 123.3(7) 5 . ?
N17 C29 H29A 109.2 . . ?
C29 C29 H29B 124.1 5 . ?
N17 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C29 C29 H29C 70.4 5 . ?
N17 C29 H29C 109.8 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N19 C30 H30A 109.5 . . ?
N19 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N19 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N18 C31 H31A 109.5 . . ?
N18 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
N18 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N1 Cu1 N1 89.89(2) 2 3 ?
N1 Cu1 N1 89.89(2) 2 . ?
N1 Cu1 N1 175.1(5) 3 . ?
N1 Cu1 N1 175.1(5) 2 4 ?
N1 Cu1 N1 89.89(2) 3 4 ?
N1 Cu1 N1 89.89(2) . 4 ?
N1 Cu1 O1 92.5(3) 2 . ?
N1 Cu1 O1 92.5(3) 3 . ?
N1 Cu1 O1 92.5(3) . . ?
N1 Cu1 O1 92.5(3) 4 . ?
N2 Cu2 N2 91.4(4) . 8 ?
N2 Cu2 N13 177.3(3) . . ?
N2 Cu2 N13 90.7(3) 8 . ?
N2 Cu2 N13 90.7(3) . 8 ?
N2 Cu2 N13 177.3(3) 8 8 ?
N13 Cu2 N13 87.2(4) . 8 ?
N2 Cu2 N12 87.7(5) . 4 ?
N2 Cu2 N12 87.7(5) 8 4 ?
N13 Cu2 N12 90.6(5) . 4 ?
N13 Cu2 N12 90.6(5) 8 4 ?
N2 Cu2 N14 97.5(3) . . ?
N2 Cu2 N14 97.5(3) 8 . ?
N13 Cu2 N14 84.0(3) . . ?
N13 Cu2 N14 84.0(3) 8 . ?
N12 Cu2 N14 172.5(6) 4 . ?
N3 Cu3 N3 92.5(4) 8 . ?
N3 Cu3 N16 92.8(3) 8 . ?
N3 Cu3 N16 171.6(3) . . ?
N3 Cu3 N16 171.6(3) 8 8 ?
N3 Cu3 N16 92.8(3) . 8 ?
N16 Cu3 N16 81.2(3) . 8 ?
N3 Cu3 N15 94.3(3) 8 . ?
N3 Cu3 N15 94.3(3) . . ?
N16 Cu3 N15 78.8(3) . . ?
N16 Cu3 N15 78.8(3) 8 . ?
N3 Cu3 N6 92.2(3) 8 . ?
N3 Cu3 N6 92.2(3) . . ?
N16 Cu3 N6 94.1(3) . . ?
N16 Cu3 N6 94.1(3) 8 . ?
N15 Cu3 N6 170.6(4) . . ?
N4 Cu4 N8 91.5(4) . . ?
N4 Cu4 N17 88.9(5) . . ?
N8 Cu4 N17 179.6(6) . . ?
N4 Cu4 N19 172.0(4) . . ?
N8 Cu4 N19 89.0(5) . . ?
N17 Cu4 N19 90.6(5) . . ?
N4 Cu4 N18 99.8(4) . . ?
N8 Cu4 N18 93.6(6) . . ?
N17 Cu4 N18 86.1(5) . . ?
N19 Cu4 N18 88.2(5) . . ?
C1 N1 Cu1 176.1(9) . . ?
C2 N2 Cu2 170.4(7) . . ?
C3 N3 Cu3 174.3(7) . . ?
C4 N4 Cu4 169.6(6) . . ?
C6 N6 Cu3 176.0(10) . . ?
C8 N8 Cu4 163.2(14) . . ?
C12 N12 Cu2 171(2) . 2 ?
C14 N13 C15 105.2(6) . . ?
C14 N13 C16 110.9(6) . . ?
C15 N13 C16 106.9(6) . . ?
C14 N13 Cu2 107.2(5) . . ?
C15 N13 Cu2 117.7(5) . . ?
C16 N13 Cu2 108.9(4) . . ?
C13 N14 C13 115.2(9) . 8 ?
C13 N14 C17 106.7(6) . . ?
C13 N14 C17 106.7(6) 8 . ?
C13 N14 Cu2 106.6(5) . . ?
C13 N14 Cu2 106.6(5) 8 . ?
C17 N14 Cu2 115.5(8) . . ?
C18 N15 C18 116.5(9) 8 . ?
C18 N15 C20 106.6(6) 8 . ?
C18 N15 C20 106.6(6) . . ?
C18 N15 Cu3 108.1(5) 8 . ?
C18 N15 Cu3 108.1(5) . . ?
C20 N15 Cu3 111.0(7) . . ?
C19 N16 C21 114.0(6) . . ?
C19 N16 C22 106.0(6) . . ?
C21 N16 C22 105.3(6) . . ?
C19 N16 Cu3 114.9(5) . . ?
C21 N16 Cu3 109.1(5) . . ?
C22 N16 Cu3 106.7(5) . . ?
C23 N17 C28 131.6(13) . . ?
C23 N17 C29 106.1(12) . . ?
C28 N17 C29 103.2(11) . . ?
C23 N17 Cu4 107.8(10) . . ?
C28 N17 Cu4 94.4(9) . . ?
C29 N17 Cu4 113.6(9) . . ?
C25 N18 C31 104.0(13) . . ?
C25 N18 C24 131.0(14) . . ?
C31 N18 C24 111.6(12) . . ?
C25 N18 Cu4 100.8(10) . . ?
C31 N18 Cu4 108.3(10) . . ?
C24 N18 Cu4 98.8(9) . . ?
C27 N19 C26 109.8(12) . . ?
C27 N19 C30 119.6(13) . . ?
C26 N19 C30 106.4(11) . . ?
C27 N19 Cu4 102.3(9) . . ?
C26 N19 Cu4 104.0(9) . . ?
C30 N19 Cu4 113.6(9) . . ?
Cu1 O1 H1A 109.5 . . ?
Cu1 O1 H1B 109.5 . . ?
H1A O1 H1B 109.5 . . ?
H2D O2 H2C 109.5 . . ?
H3D O3 H3A 109.5 . . ?
O4 O4 H4A 74.6 5_755 . ?
O4 O4 H4C 120.7 5_755 . ?
H4A O4 H4C 109.5 . . ?
H5D O5 H5C 109.5 . . ?
O6 O6 H6D 85.3 7_565 . ?
O6 O6 H6C 51.8 7_565 . ?
H6D O6 H6C 109.5 . . ?
H7A O7 H7C 109.5 . . ?
H8B O8 H8C 109.5 . . ?
H9B O9 H9C 109.5 . . ?
C4 W1 C4 74.1(4) 5 . ?
C4 W1 C5 77.2(4) 5 . ?
C4 W1 C5 77.2(4) . . ?
C4 W1 C3 73.0(3) 5 . ?
C4 W1 C3 115.5(3) . . ?
C5 W1 C3 142.0(2) . . ?
C4 W1 C3 115.5(3) 5 5 ?
C4 W1 C3 73.0(3) . 5 ?
C5 W1 C3 142.0(2) . 5 ?
C3 W1 C3 73.7(4) . 5 ?
C4 W1 C2 142.1(3) 5 5 ?
C4 W1 C2 79.4(3) . 5 ?
C5 W1 C2 70.7(3) . 5 ?
C3 W1 C2 144.2(3) . 5 ?
C3 W1 C2 81.0(3) 5 5 ?
C4 W1 C2 79.4(3) 5 . ?
C4 W1 C2 142.1(3) . . ?
C5 W1 C2 70.7(3) . . ?
C3 W1 C2 81.0(3) . . ?
C3 W1 C2 144.2(3) 5 . ?
C2 W1 C2 107.6(4) 5 . ?
C4 W1 C1 142.1(2) 5 . ?
C4 W1 C1 142.1(2) . . ?
C5 W1 C1 114.8(5) . . ?
C3 W1 C1 78.1(3) . . ?
C3 W1 C1 78.1(3) 5 . ?
C2 W1 C1 72.2(3) 5 . ?
C2 W1 C1 72.2(3) . . ?
C7 W2 C7 74.2(3) 3 2 ?
C7 W2 C7 117.1(7) 3 . ?
C7 W2 C7 74.2(3) 2 . ?
C7 W2 C7 74.2(3) 3 4 ?
C7 W2 C7 117.1(7) 2 4 ?
C7 W2 C7 74.2(3) . 4 ?
C7 W2 C6 76.3(3) 3 3 ?
C7 W2 C6 141.97(10) 2 3 ?
C7 W2 C6 141.97(10) . 3 ?
C7 W2 C6 76.3(3) 4 3 ?
C7 W2 C6 141.97(10) 3 4 ?
C7 W2 C6 141.97(10) 2 4 ?
C7 W2 C6 76.3(3) . 4 ?
C7 W2 C6 76.3(3) 4 4 ?
C6 W2 C6 73.8(3) 3 4 ?
C7 W2 C6 76.3(3) 3 2 ?
C7 W2 C6 76.3(3) 2 2 ?
C7 W2 C6 141.97(10) . 2 ?
C7 W2 C6 141.97(10) 4 2 ?
C6 W2 C6 73.8(3) 3 2 ?
C6 W2 C6 116.3(6) 4 2 ?
C7 W2 C6 141.97(10) 3 . ?
C7 W2 C6 76.3(3) 2 . ?
C7 W2 C6 76.3(3) . . ?
C7 W2 C6 141.97(10) 4 . ?
C6 W2 C6 116.3(6) 3 . ?
C6 W2 C6 73.8(3) 4 . ?
C6 W2 C6 73.8(3) 2 . ?
C11 W3 C9 146.7(5) . 6 ?
C11 W3 C9 146.7(5) . . ?
C9 W3 C9 64.1(8) 6 . ?
C11 W3 C12 116.9(8) . . ?
C9 W3 C12 75.5(7) 6 . ?
C9 W3 C12 75.5(7) . . ?
C11 W3 C8 73.8(6) . . ?
C9 W3 C8 137.6(7) 6 . ?
C9 W3 C8 82.5(6) . . ?
C12 W3 C8 71.3(5) . . ?
C11 W3 C8 73.8(6) . 6 ?
C9 W3 C8 82.5(6) 6 6 ?
C9 W3 C8 137.6(7) . 6 ?
C12 W3 C8 71.3(5) . 6 ?
C8 W3 C8 110.1(8) . 6 ?
C11 W3 C10 79.0(6) . 6 ?
C9 W3 C10 73.1(6) 6 6 ?
C9 W3 C10 113.6(6) . 6 ?
C12 W3 C10 137.9(4) . 6 ?
C8 W3 C10 148.0(6) . 6 ?
C8 W3 C10 77.3(6) 6 6 ?
C11 W3 C10 79.0(6) . . ?
C9 W3 C10 113.6(6) 6 . ?
C9 W3 C10 73.1(6) . . ?
C12 W3 C10 137.9(4) . . ?
C8 W3 C10 77.3(6) . . ?
C8 W3 C10 148.0(6) 6 . ?
C10 W3 C10 81.3(8) 6 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.132(14) . ?
C1 W1 2.187(12) . ?
C2 N2 1.129(9) . ?
C2 W1 2.160(8) . ?
C3 N3 1.166(10) . ?
C3 W1 2.156(8) . ?
C4 N4 1.190(10) . ?
C4 W1 2.123(8) . ?
C5 N5 1.136(14) . ?
C5 W1 2.137(11) . ?
C6 N6 1.163(13) . ?
C6 W2 2.188(11) . ?
C7 N7 1.192(14) . ?
C7 W2 2.161(13) . ?
C8 N8 1.18(2) . ?
C8 W3 2.187(18) . ?
C9 N9 1.14(2) . ?
C9 W3 2.143(18) . ?
C10 N10 1.15(2) . ?
C10 W3 2.192(17) . ?
C11 N11 1.13(3) . ?
C11 W3 2.13(2) . ?
C12 N12 1.19(3) . ?
C12 W3 2.18(2) . ?
C13 C14 1.495(10) . ?
C13 N14 1.499(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 N13 1.507(10) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 N13 1.525(10) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C16 1.465(15) 8 ?
C16 N13 1.537(9) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 N14 1.527(14) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N15 1.446(9) . ?
C18 C19 1.514(11) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 N16 1.454(11) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 N15 1.538(14) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C21 1.473(17) 8 ?
C21 N16 1.498(10) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 N16 1.536(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C23 1.21(3) 5 ?
C23 N17 1.360(19) . ?
C23 C24 1.54(2) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9602 . ?
C24 N18 1.525(19) . ?
C24 C24 1.68(3) 5 ?
C24 H24A 0.9599 . ?
C24 H24B 0.9600 . ?
C25 N18 1.404(19) . ?
C25 C26 1.53(2) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 N19 1.49(2) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 N19 1.46(2) . ?
C27 C28 1.52(2) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 N17 1.52(2) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C29 1.16(3) 5 ?
C29 N17 1.531(19) . ?
C29 H29A 0.9602 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9599 . ?
C30 N19 1.53(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 N18 1.52(2) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
Cu1 N1 1.947(9) 2 ?
Cu1 N1 1.947(9) 3 ?
Cu1 N1 1.947(9) . ?
Cu1 N1 1.947(9) 4 ?
Cu1 O1 2.366(16) . ?
Cu2 N2 1.969(6) . ?
Cu2 N2 1.969(6) 8 ?
Cu2 N13 2.047(6) . ?
Cu2 N13 2.047(6) 8 ?
Cu2 N12 2.249(19) 4 ?
Cu2 N14 2.292(11) . ?
Cu3 N3 2.000(6) 8 ?
Cu3 N3 2.000(6) . ?
Cu3 N16 2.113(6) . ?
Cu3 N16 2.113(6) 8 ?
Cu3 N15 2.251(9) . ?
Cu3 N6 2.297(10) . ?
Cu4 N4 1.930(7) . ?
Cu4 N8 1.964(14) . ?
Cu4 N17 1.998(13) . ?
Cu4 N19 2.116(12) . ?
Cu4 N18 2.241(14) . ?
N12 Cu2 2.249(19) 2 ?
N14 C13 1.499(9) 8 ?
N15 C18 1.446(9) 8 ?
O1 H1A 0.8499 . ?
O1 H1B 0.8500 . ?
O2 H2D 0.8502 . ?
O2 H2C 0.8500 . ?
O3 H3D 0.8499 . ?
O3 H3A 0.8502 . ?
O4 O4 0.85(2) 5_755 ?
O4 H4A 0.8501 . ?
O4 H4C 0.8499 . ?
O5 H5D 0.8500 . ?
O5 H5C 0.8500 . ?
O6 O6 1.76(2) 7_565 ?
O6 H6D 0.8498 . ?
O6 H6C 0.8501 . ?
O7 H7A 0.8499 . ?
O7 H7C 0.8501 . ?
O8 H8B 0.8500 . ?
O8 H8C 0.8501 . ?
O9 H9B 0.8499 . ?
O9 H9C 0.8500 . ?
W1 C4 2.123(8) 5 ?
W1 C3 2.156(8) 5 ?
W1 C2 2.160(8) 5 ?
W2 C7 2.161(13) 3 ?
W2 C7 2.161(13) 2 ?
W2 C7 2.161(13) 4 ?
W2 C6 2.188(11) 3 ?
W2 C6 2.188(11) 4 ?
W2 C6 2.188(11) 2 ?
W3 C9 2.143(18) 6 ?
W3 C8 2.187(18) 6 ?
W3 C10 2.192(17) 6 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N14 C13 C14 N13 -10.8(11) . . . . ?
N15 C18 C19 N16 2.2(11) . . . . ?
C23 C23 C24 N18 -178.4(10) 5 . . . ?
N17 C23 C24 N18 35(2) . . . . ?
C23 C23 C24 C24 0.000(2) 5 . . 5 ?
N17 C23 C24 C24 -146.4(16) . . . 5 ?
N18 C25 C26 N19 11(2) . . . . ?
N19 C27 C28 N17 56.3(17) . . . . ?
N8 Cu4 N4 C4 110(4) . . . . ?
N17 Cu4 N4 C4 -70(4) . . . . ?
N18 Cu4 N4 C4 16(4) . . . . ?
N4 Cu4 N8 C8 114(4) . . . . ?
N19 Cu4 N8 C8 -58(4) . . . . ?
N18 Cu4 N8 C8 -146(4) . . . . ?
C13 C14 N13 C15 151.9(7) . . . . ?
C13 C14 N13 C16 -92.9(9) . . . . ?
C13 C14 N13 Cu2 25.9(9) . . . . ?
C16 C16 N13 C14 106.7(5) 8 . . . ?
C16 C16 N13 C15 -139.2(4) 8 . . . ?
C16 C16 N13 Cu2 -11.1(5) 8 . . . ?
N2 Cu2 N13 C14 75.4(5) 8 . . . ?
N13 Cu2 N13 C14 -106.3(4) 8 . . . ?
N12 Cu2 N13 C14 163.2(6) 4 . . . ?
N14 Cu2 N13 C14 -22.0(5) . . . . ?
N2 Cu2 N13 C15 -42.7(5) 8 . . . ?
N13 Cu2 N13 C15 135.6(4) 8 . . . ?
N12 Cu2 N13 C15 45.0(6) 4 . . . ?
N14 Cu2 N13 C15 -140.2(5) . . . . ?
N2 Cu2 N13 C16 -164.5(6) 8 . . . ?
N13 Cu2 N13 C16 13.8(7) 8 . . . ?
N12 Cu2 N13 C16 -76.8(6) 4 . . . ?
N14 Cu2 N13 C16 98.0(6) . . . . ?
C14 C13 N14 C13 109.4(9) . . . 8 ?
C14 C13 N14 C17 -132.4(8) . . . . ?
C14 C13 N14 Cu2 -8.6(8) . . . . ?
N2 Cu2 N14 C13 -164.4(5) . . . . ?
N2 Cu2 N14 C13 -72.0(6) 8 . . . ?
N13 Cu2 N14 C13 17.9(5) . . . . ?
N13 Cu2 N14 C13 105.7(6) 8 . . . ?
N2 Cu2 N14 C13 72.0(6) . . . 8 ?
N2 Cu2 N14 C13 164.4(5) 8 . . 8 ?
N13 Cu2 N14 C13 -105.7(6) . . . 8 ?
N13 Cu2 N14 C13 -17.9(5) 8 . . 8 ?
N2 Cu2 N14 C17 -46.20(19) . . . . ?
N2 Cu2 N14 C17 46.20(19) 8 . . . ?
N13 Cu2 N14 C17 136.11(18) . . . . ?
N13 Cu2 N14 C17 -136.11(18) 8 . . . ?
C19 C18 N15 C18 102.4(10) . . . 8 ?
C19 C18 N15 C20 -138.8(8) . . . . ?
C19 C18 N15 Cu3 -19.4(9) . . . . ?
N3 Cu3 N15 C18 163.0(6) 8 . . 8 ?
N3 Cu3 N15 C18 70.1(6) . . . 8 ?
N16 Cu3 N15 C18 -105.0(6) . . . 8 ?
N16 Cu3 N15 C18 -21.9(5) 8 . . 8 ?
N3 Cu3 N15 C18 -70.1(6) 8 . . . ?
N3 Cu3 N15 C18 -163.0(6) . . . . ?
N16 Cu3 N15 C18 21.9(5) . . . . ?
N16 Cu3 N15 C18 105.0(6) 8 . . . ?
N3 Cu3 N15 C20 46.41(19) 8 . . . ?
N3 Cu3 N15 C20 -46.41(19) . . . . ?
N16 Cu3 N15 C20 138.45(18) . . . . ?
N16 Cu3 N15 C20 -138.45(18) 8 . . . ?
C18 C19 N16 C21 -108.7(8) . . . . ?
C18 C19 N16 C22 135.9(7) . . . . ?
C18 C19 N16 Cu3 18.3(9) . . . . ?
C21 C21 N16 C19 107.6(5) 8 . . . ?
C21 C21 N16 C22 -136.6(4) 8 . . . ?
C21 C21 N16 Cu3 -22.4(5) 8 . . . ?
N3 Cu3 N16 C19 71.5(6) 8 . . . ?
N16 Cu3 N16 C19 -102.5(5) 8 . . . ?
N15 Cu3 N16 C19 -22.3(5) . . . . ?
N6 Cu3 N16 C19 163.9(6) . . . . ?
N3 Cu3 N16 C21 -158.9(5) 8 . . . ?
N16 Cu3 N16 C21 27.0(6) 8 . . . ?
N15 Cu3 N16 C21 107.2(5) . . . . ?
N6 Cu3 N16 C21 -66.5(5) . . . . ?
N3 Cu3 N16 C22 -45.6(5) 8 . . . ?
N16 Cu3 N16 C22 140.3(4) 8 . . . ?
N15 Cu3 N16 C22 -139.5(5) . . . . ?
N6 Cu3 N16 C22 46.8(5) . . . . ?
C23 C23 N17 C28 103.3(16) 5 . . . ?
C24 C23 N17 C28 -119.8(18) . . . . ?
C23 C23 N17 C29 -21.7(14) 5 . . . ?
C24 C23 N17 C29 115.2(16) . . . . ?
C23 C23 N17 Cu4 -143.7(5) 5 . . . ?
C24 C23 N17 Cu4 -6.7(19) . . . . ?
C27 C28 N17 C23 62(2) . . . . ?
C27 C28 N17 C29 -171.9(12) . . . . ?
C27 C28 N17 Cu4 -56.5(12) . . . . ?
C29 C29 N17 C23 20.8(14) 5 . . . ?
C29 C29 N17 C28 -120.3(9) 5 . . . ?
C29 C29 N17 Cu4 138.9(5) 5 . . . ?
N4 Cu4 N17 C23 85.5(11) . . . . ?
N19 Cu4 N17 C23 -102.5(11) . . . . ?
N18 Cu4 N17 C23 -14.4(11) . . . . ?
N4 Cu4 N17 C28 -138.1(8) . . . . ?
N19 Cu4 N17 C28 33.9(9) . . . . ?
N18 Cu4 N17 C28 122.0(9) . . . . ?
N4 Cu4 N17 C29 -31.7(9) . . . . ?
N19 Cu4 N17 C29 140.3(10) . . . . ?
N18 Cu4 N17 C29 -131.5(10) . . . . ?
C26 C25 N18 C31 117.5(17) . . . . ?
C26 C25 N18 C24 -106(2) . . . . ?
C26 C25 N18 Cu4 5.4(19) . . . . ?
C23 C24 N18 C25 74(2) . . . . ?
C23 C24 N18 C31 -151.8(12) . . . . ?
C23 C24 N18 Cu4 -38.1(13) . . . . ?
N4 Cu4 N18 C25 167.4(10) . . . . ?
N8 Cu4 N18 C25 75.2(11) . . . . ?
N17 Cu4 N18 C25 -104.4(11) . . . . ?
N19 Cu4 N18 C25 -13.7(11) . . . . ?
N4 Cu4 N18 C31 58.6(10) . . . . ?
N8 Cu4 N18 C31 -33.6(10) . . . . ?
N17 Cu4 N18 C31 146.8(10) . . . . ?
N19 Cu4 N18 C31 -122.5(10) . . . . ?
N4 Cu4 N18 C24 -57.7(9) . . . . ?
N8 Cu4 N18 C24 -149.9(9) . . . . ?
N17 Cu4 N18 C24 30.4(9) . . . . ?
N19 Cu4 N18 C24 121.2(9) . . . . ?
C28 C27 N19 C26 -130.3(14) . . . . ?
C28 C27 N19 C30 106.3(15) . . . . ?
C28 C27 N19 Cu4 -20.3(15) . . . . ?
C25 C26 N19 C27 87.7(16) . . . . ?
C25 C26 N19 C30 -141.5(13) . . . . ?
C25 C26 N19 Cu4 -21.2(15) . . . . ?
N8 Cu4 N19 C27 171.0(11) . . . . ?
N17 Cu4 N19 C27 -9.3(10) . . . . ?
N18 Cu4 N19 C27 -95.4(10) . . . . ?
N8 Cu4 N19 C26 -74.7(10) . . . . ?
N17 Cu4 N19 C26 105.1(9) . . . . ?
N18 Cu4 N19 C26 19.0(9) . . . . ?
N8 Cu4 N19 C30 40.7(11) . . . . ?
N17 Cu4 N19 C30 -139.6(11) . . . . ?
N18 Cu4 N19 C30 134.3(10) . . . . ?
