#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:30:31 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180397 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/66/7206652.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_7206652
loop_
_publ_author_name
'Li, Xin-Zhi'
'Zhou, Xiao-Ping'
'Li, Dan'
'Yin, Ye-Gao'
_publ_section_title
;
 Controlling interpenetration in CuCN coordination polymers by size of the
 pendant substituents of terpyridine ligands
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              6759
_journal_paper_doi               10.1039/c1ce05565h
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C72 H51 Cu6 N15'
_chemical_formula_weight         1507.53
_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                 109.1680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.4693(15)
_cell_length_b                   14.3685(9)
_cell_length_c                   21.7069(16)
_cell_measurement_temperature    298(2)
_cell_volume                     6619.5(8)
_computing_cell_refinement       'SAINT-PLUS, Ver. 6.0, 1997'
_computing_data_collection       'SMART, 1998.'
_computing_data_reduction        'SAINT-PLUS, Ver. 6.0, 1997'
_computing_molecular_graphics    'XP, Ver. 6.10, Bruker AXS Inc., 2000.'
_computing_publication_material  'SHELXTL-Bruker AXS Inc., 1998.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0394
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17070
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    1.948
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_correction_T_min  0.672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3048
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.434
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         5812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0473
_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)+(0.0467P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                3567
_reflns_number_total             5812
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05565h.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7206652
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
Cu1 Cu -0.20977(2) 0.65862(4) -0.05644(3) 0.06049(19) Uani 1 1 d .
Cu2 Cu 0.00382(2) 0.59971(4) 0.08836(3) 0.05772(18) Uani 1 1 d .
Cu3 Cu 0.21354(3) 0.66032(4) 0.23924(3) 0.0667(2) Uani 1 1 d .
C1 C -0.07896(18) 0.6233(3) 0.04109(19) 0.0429(10) Uani 1 1 d .
C2 C 0.13667(18) 0.6487(3) 0.1742(2) 0.0472(11) Uani 1 1 d .
C3 C 0.24638(19) 0.7228(3) 0.3185(2) 0.0620(13) Uani 1 1 d .
C4 C 0.3095(2) -0.1911(4) 0.0951(3) 0.109(2) Uani 1 1 d .
H4A H 0.3008 -0.2566 0.0935 0.163 Uiso 1 1 calc R
H4B H 0.3440 -0.1772 0.1339 0.163 Uiso 1 1 calc R
H4C H 0.3204 -0.1734 0.0575 0.163 Uiso 1 1 calc R
C5 C 0.2524(2) -0.1382(4) 0.0959(3) 0.0755(15) Uani 1 1 d .
C6 C 0.1975(2) -0.1837(3) 0.0926(3) 0.0829(16) Uani 1 1 d .
H6 H 0.1968 -0.2484 0.0915 0.099 Uiso 1 1 calc R
C7 C 0.1436(2) -0.1367(3) 0.0911(2) 0.0693(14) Uani 1 1 d .
H7 H 0.1074 -0.1702 0.0884 0.083 Uiso 1 1 calc R
C8 C 0.14231(19) -0.0409(3) 0.09336(18) 0.0486(10) Uani 1 1 d .
C9 C 0.1979(2) 0.0046(3) 0.0978(2) 0.0678(14) Uani 1 1 d .
H9 H 0.1991 0.0693 0.1001 0.081 Uiso 1 1 calc R
C10 C 0.2508(2) -0.0425(4) 0.0989(3) 0.0810(16) Uani 1 1 d .
H10 H 0.2871 -0.0090 0.1019 0.097 Uiso 1 1 calc R
C11 C 0.08442(18) 0.0117(3) 0.08968(18) 0.0453(10) Uani 1 1 d .
C12 C 0.02819(19) -0.0325(3) 0.08603(18) 0.0488(10) Uani 1 1 d .
H12 H 0.0267 -0.0972 0.0868 0.059 Uiso 1 1 calc R
C13 C -0.02558(18) 0.0182(3) 0.08130(17) 0.0445(10) Uani 1 1 d .
C14 C 0.02753(19) 0.1554(3) 0.08481(19) 0.0471(10) Uani 1 1 d .
C15 C 0.08227(18) 0.1087(3) 0.08898(18) 0.0485(10) Uani 1 1 d .
H15 H 0.1183 0.1424 0.0913 0.058 Uiso 1 1 calc R
C16 C -0.08725(19) -0.0255(3) 0.07594(18) 0.0454(10) Uani 1 1 d .
C17 C -0.0975(2) -0.1202(3) 0.0750(2) 0.0561(12) Uani 1 1 d .
H17 H -0.0644 -0.1611 0.0785 0.067 Uiso 1 1 calc R
C18 C -0.1560(2) -0.1542(3) 0.0689(2) 0.0576(12) Uani 1 1 d .
H18 H -0.1611 -0.2184 0.0694 0.069 Uiso 1 1 calc R
C19 C -0.1963(2) -0.0091(3) 0.0634(2) 0.0633(13) Uani 1 1 d .
H19 H -0.2302 0.0304 0.0591 0.076 Uiso 1 1 calc R
C20 C -0.1387(2) 0.0298(3) 0.0706(2) 0.0576(12) Uani 1 1 d .
H20 H -0.1344 0.0942 0.0720 0.069 Uiso 1 1 calc R
C21 C 0.02358(19) 0.2592(3) 0.0842(2) 0.0476(10) Uani 1 1 d .
C22 C -0.03186(19) 0.3041(3) 0.0510(2) 0.0562(11) Uani 1 1 d .
H22 H -0.0673 0.2697 0.0282 0.067 Uiso 1 1 calc R
C23 C -0.03491(19) 0.3994(3) 0.0514(2) 0.0595(12) Uani 1 1 d .
H23 H -0.0725 0.4280 0.0274 0.071 Uiso 1 1 calc R
C24 C 0.06693(19) 0.4093(3) 0.1169(2) 0.0538(11) Uani 1 1 d .
H24 H 0.1014 0.4451 0.1403 0.065 Uiso 1 1 calc R
C25 C 0.07404(19) 0.3149(3) 0.1176(2) 0.0518(11) Uani 1 1 d .
H25 H 0.1127 0.2881 0.1406 0.062 Uiso 1 1 calc R
C26 C 0.3428(2) 0.6163(3) 0.2379(2) 0.0667(13) Uani 1 1 d .
H26 H 0.3469 0.6808 0.2404 0.080 Uiso 1 1 calc R
C27 C 0.3956(2) 0.5645(3) 0.2430(2) 0.0621(12) Uani 1 1 d .
H27 H 0.4339 0.5938 0.2482 0.075 Uiso 1 1 calc R
C28 C 0.39155(19) 0.4687(3) 0.24047(19) 0.0495(11) Uani 1 1 d .
C29 C 0.3335(2) 0.4311(3) 0.2334(2) 0.0663(13) Uani 1 1 d .
H29 H 0.3285 0.3669 0.2328 0.080 Uiso 1 1 calc R
C30 C 0.2827(2) 0.4887(4) 0.2272(2) 0.0745(15) Uani 1 1 d .
H30 H 0.2437 0.4613 0.2209 0.089 Uiso 1 1 calc R
C31 C 0.44749(19) 0.4110(3) 0.24570(19) 0.0499(11) Uani 1 1 d .
C32 C 0.4465(2) 0.3142(3) 0.2465(2) 0.0550(11) Uani 1 1 d .
H32 H 0.4095 0.2835 0.2446 0.066 Uiso 1 1 calc R
C33 C 0.5000 0.2627(4) 0.2500 0.0546(16) Uani 1 2 d S
C34 C 0.5000 0.1599(4) 0.2500 0.0527(16) Uani 1 2 d S
C35 C 0.5515(2) 0.1102(3) 0.2876(2) 0.0667(13) Uani 1 1 d .
H35 H 0.5871 0.1418 0.3135 0.080 Uiso 1 1 calc R
C36 C 0.5509(2) 0.0142(3) 0.2875(2) 0.0753(15) Uani 1 1 d .
H36 H 0.5863 -0.0176 0.3136 0.090 Uiso 1 1 calc R
C37 C 0.5000 -0.0360(5) 0.2500 0.0679(19) Uani 1 2 d S
C38 C 0.5000 -0.1408(5) 0.2500 0.094(3) Uani 1 2 d S
H38A H 0.4607 -0.1631 0.2205 0.142 Uiso 0.50 1 calc PR
H38B H 0.5053 -0.1631 0.2932 0.142 Uiso 0.50 1 calc PR
H38C H 0.5340 -0.1631 0.2363 0.142 Uiso 0.50 1 calc PR
N1 N -0.1288(2) 0.6329(3) 0.0073(2) 0.0762(12) Uani 1 1 d .
N2 N 0.0870(2) 0.6389(2) 0.1389(2) 0.0707(11) Uani 1 1 d .
N3 N 0.26547(17) 0.7609(3) 0.3678(2) 0.0790(12) Uani 1 1 d .
N4 N -0.20621(16) -0.1005(2) 0.06209(17) 0.0544(9) Uani 1 1 d .
N5 N -0.02605(16) 0.1110(2) 0.08083(15) 0.0491(9) Uani 1 1 d .
N6 N 0.01337(15) 0.4531(2) 0.08457(16) 0.0530(9) Uani 1 1 d .
N7 N 0.28636(17) 0.5800(3) 0.22966(18) 0.0645(11) Uani 1 1 d .
N8 N 0.5000 0.4587(3) 0.2500 0.0481(12) 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'
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
N1 Cu1 N3 131.70(15) . 8_465
N1 Cu1 N4 127.18(15) . 7_455
N3 Cu1 N4 101.09(15) 8_465 7_455
C1 Cu2 N2 152.22(17) . .
C1 Cu2 N6 104.96(16) . .
N2 Cu2 N6 102.82(14) . .
C2 Cu3 C3 137.50(17) . .
C2 Cu3 N7 116.45(16) . .
C3 Cu3 N7 105.96(16) . .
N1 C1 Cu2 173.3(4) . .
N2 C2 Cu3 173.1(4) . .
N3 C3 Cu3 178.5(5) . .
C5 C4 H4A 109.5 . .
C5 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C5 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C10 C5 C6 116.1(5) . .
C10 C5 C4 122.9(5) . .
C6 C5 C4 121.0(5) . .
C5 C6 C7 122.2(5) . .
C5 C6 H6 118.9 . .
C7 C6 H6 118.9 . .
C8 C7 C6 121.2(4) . .
C8 C7 H7 119.4 . .
C6 C7 H7 119.4 . .
C7 C8 C9 116.4(4) . .
C7 C8 C11 122.4(4) . .
C9 C8 C11 121.2(4) . .
C10 C9 C8 122.0(4) . .
C10 C9 H9 119.0 . .
C8 C9 H9 119.0 . .
C9 C10 C5 122.0(5) . .
C9 C10 H10 119.0 . .
C5 C10 H10 119.0 . .
C15 C11 C12 115.4(4) . .
C15 C11 C8 122.4(4) . .
C12 C11 C8 122.2(4) . .
C13 C12 C11 121.1(4) . .
C13 C12 H12 119.5 . .
C11 C12 H12 119.5 . .
N5 C13 C12 122.1(4) . .
N5 C13 C16 114.6(4) . .
C12 C13 C16 123.3(4) . .
N5 C14 C15 122.5(4) . .
N5 C14 C21 115.1(4) . .
C15 C14 C21 122.4(4) . .
C14 C15 C11 120.9(4) . .
C14 C15 H15 119.5 . .
C11 C15 H15 119.5 . .
C20 C16 C17 115.9(4) . .
C20 C16 C13 119.8(4) . .
C17 C16 C13 124.2(4) . .
C18 C17 C16 120.2(4) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
N4 C18 C17 123.7(4) . .
N4 C18 H18 118.1 . .
C17 C18 H18 118.1 . .
N4 C19 C20 123.4(4) . .
N4 C19 H19 118.3 . .
C20 C19 H19 118.3 . .
C19 C20 C16 120.7(4) . .
C19 C20 H20 119.7 . .
C16 C20 H20 119.7 . .
C22 C21 C25 116.6(4) . .
C22 C21 C14 120.9(4) . .
C25 C21 C14 122.5(4) . .
C23 C22 C21 120.2(4) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
N6 C23 C22 123.2(4) . .
N6 C23 H23 118.4 . .
C22 C23 H23 118.4 . .
N6 C24 C25 123.8(4) . .
N6 C24 H24 118.1 . .
C25 C24 H24 118.1 . .
C24 C25 C21 119.8(4) . .
C24 C25 H25 120.1 . .
C21 C25 H25 120.1 . .
N7 C26 C27 124.0(4) . .
N7 C26 H26 118.0 . .
C27 C26 H26 118.0 . .
C26 C27 C28 119.5(4) . .
C26 C27 H27 120.2 . .
C28 C27 H27 120.2 . .
C29 C28 C27 116.5(4) . .
C29 C28 C31 122.7(4) . .
C27 C28 C31 120.9(4) . .
C28 C29 C30 120.0(4) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
N7 C30 C29 123.7(4) . .
N7 C30 H30 118.1 . .
C29 C30 H30 118.1 . .
N8 C31 C32 121.8(4) . .
N8 C31 C28 115.2(4) . .
C32 C31 C28 123.0(4) . .
C31 C32 C33 121.0(4) . .
C31 C32 H32 119.5 . .
C33 C32 H32 119.5 . .
C32 C33 C32 115.7(6) . 2_655
C32 C33 C34 122.1(3) . .
C32 C33 C34 122.1(3) 2_655 .
C35 C34 C35 117.5(6) 2_655 .
C35 C34 C33 121.2(3) 2_655 .
C35 C34 C33 121.2(3) . .
C36 C35 C34 120.8(5) . .
C36 C35 H35 119.6 . .
C34 C35 H35 119.6 . .
C37 C36 C35 122.2(5) . .
C37 C36 H36 118.9 . .
C35 C36 H36 118.9 . .
C36 C37 C36 116.6(7) . 2_655
C36 C37 C38 121.7(3) . .
C36 C37 C38 121.7(3) 2_655 .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C1 N1 Cu1 173.2(4) . .
C2 N2 Cu2 168.7(4) . .
C3 N3 Cu1 171.1(4) . 8_566
C19 N4 C18 116.0(4) . .
C19 N4 Cu1 123.6(3) . 7_455
C18 N4 Cu1 120.3(3) . 7_455
C13 N5 C14 118.1(4) . .
C23 N6 C24 116.4(4) . .
C23 N6 Cu2 121.4(3) . .
C24 N6 Cu2 122.2(3) . .
C30 N7 C26 116.2(4) . .
C30 N7 Cu3 121.3(3) . .
C26 N7 Cu3 121.3(3) . .
C31 N8 C31 118.6(5) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 1.926(5) .
Cu1 N3 1.936(4) 8_465
Cu1 N4 2.031(3) 7_455
Cu2 C1 1.837(4) .
Cu2 N2 1.916(4) .
Cu2 N6 2.122(3) .
Cu3 C2 1.845(4) .
Cu3 C3 1.865(5) .
Cu3 N7 2.068(4) .
C1 N1 1.128(5) .
C2 N2 1.135(5) .
C3 N3 1.153(5) .
C4 C5 1.497(7) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C10 1.378(6) .
C5 C6 1.378(6) .
C6 C7 1.377(6) .
C6 H6 0.9300 .
C7 C8 1.379(6) .
C7 H7 0.9300 .
C8 C9 1.384(5) .
C8 C11 1.484(5) .
C9 C10 1.362(6) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C15 1.394(5) .
C11 C12 1.393(5) .
C12 C13 1.386(5) .
C12 H12 0.9300 .
C13 N5 1.333(5) .
C13 C16 1.491(5) .
C14 N5 1.340(5) .
C14 C15 1.378(5) .
C14 C21 1.493(5) .
C15 H15 0.9300 .
C16 C20 1.376(5) .
C16 C17 1.380(5) .
C17 C18 1.368(5) .
C17 H17 0.9300 .
C18 N4 1.335(5) .
C18 H18 0.9300 .
C19 N4 1.330(5) .
C19 C20 1.370(5) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.378(5) .
C21 C25 1.384(5) .
C22 C23 1.371(5) .
C22 H22 0.9300 .
C23 N6 1.333(5) .
C23 H23 0.9300 .
C24 N6 1.335(5) .
C24 C25 1.365(5) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 N7 1.329(5) .
C26 C27 1.374(6) .
C26 H26 0.9300 .
C27 C28 1.379(5) .
C27 H27 0.9300 .
C28 C29 1.372(5) .
C28 C31 1.479(5) .
C29 C30 1.380(6) .
C29 H29 0.9300 .
C30 N7 1.315(5) .
C30 H30 0.9300 .
C31 N8 1.341(4) .
C31 C32 1.391(6) .
C32 C33 1.393(5) .
C32 H32 0.9300 .
C33 C32 1.393(5) 2_655
C33 C34 1.477(8) .
C34 C35 1.376(5) 2_655
C34 C35 1.376(5) .
C35 C36 1.380(6) .
C35 H35 0.9300 .
C36 C37 1.371(5) .
C36 H36 0.9300 .
C37 C36 1.371(5) 2_655
C37 C38 1.507(9) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
N3 Cu1 1.936(4) 8_566
N4 Cu1 2.031(3) 7_455
N8 C31 1.341(4) 2_655
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
N2 Cu2 C1 N1 126(3) . .
N6 Cu2 C1 N1 -53(4) . .
C3 Cu3 C2 N2 -55(3) . .
N7 Cu3 C2 N2 121(3) . .
C2 Cu3 C3 N3 41(18) . .
N7 Cu3 C3 N3 -135(18) . .
C10 C5 C6 C7 1.5(8) . .
C4 C5 C6 C7 -177.8(5) . .
C5 C6 C7 C8 -0.7(8) . .
C6 C7 C8 C9 -0.5(7) . .
C6 C7 C8 C11 178.1(4) . .
C7 C8 C9 C10 0.9(7) . .
C11 C8 C9 C10 -177.7(4) . .
C8 C9 C10 C5 -0.2(8) . .
C6 C5 C10 C9 -1.0(8) . .
C4 C5 C10 C9 178.2(5) . .
C7 C8 C11 C15 -177.0(4) . .
C9 C8 C11 C15 1.5(6) . .
C7 C8 C11 C12 2.4(6) . .
C9 C8 C11 C12 -179.1(4) . .
C15 C11 C12 C13 0.7(5) . .
C8 C11 C12 C13 -178.7(4) . .
C11 C12 C13 N5 -0.8(6) . .
C11 C12 C13 C16 178.8(3) . .
N5 C14 C15 C11 -0.5(6) . .
C21 C14 C15 C11 179.8(4) . .
C12 C11 C15 C14 -0.1(5) . .
C8 C11 C15 C14 179.3(4) . .
N5 C13 C16 C20 0.4(5) . .
C12 C13 C16 C20 -179.2(4) . .
N5 C13 C16 C17 179.5(4) . .
C12 C13 C16 C17 -0.2(6) . .
C20 C16 C17 C18 0.1(6) . .
C13 C16 C17 C18 -178.9(4) . .
C16 C17 C18 N4 1.6(7) . .
N4 C19 C20 C16 1.2(7) . .
C17 C16 C20 C19 -1.4(6) . .
C13 C16 C20 C19 177.7(4) . .
N5 C14 C21 C22 -30.6(6) . .
C15 C14 C21 C22 149.1(4) . .
N5 C14 C21 C25 147.7(4) . .
C15 C14 C21 C25 -32.6(6) . .
C25 C21 C22 C23 0.9(6) . .
C14 C21 C22 C23 179.3(4) . .
C21 C22 C23 N6 -2.1(7) . .
N6 C24 C25 C21 -0.9(6) . .
C22 C21 C25 C24 0.5(6) . .
C14 C21 C25 C24 -177.9(4) . .
N7 C26 C27 C28 -0.9(7) . .
C26 C27 C28 C29 -0.6(6) . .
C26 C27 C28 C31 179.9(4) . .
C27 C28 C29 C30 2.0(7) . .
C31 C28 C29 C30 -178.5(4) . .
C28 C29 C30 N7 -2.2(8) . .
C29 C28 C31 N8 177.7(4) . .
C27 C28 C31 N8 -2.8(5) . .
C29 C28 C31 C32 -2.6(6) . .
C27 C28 C31 C32 176.9(4) . .
N8 C31 C32 C33 -1.8(6) . .
C28 C31 C32 C33 178.5(3) . .
C31 C32 C33 C32 0.9(3) . 2_655
C31 C32 C33 C34 -179.1(3) . .
C32 C33 C34 C35 37.5(3) . 2_655
C32 C33 C34 C35 -142.5(3) 2_655 2_655
C32 C33 C34 C35 -142.5(3) . .
C32 C33 C34 C35 37.5(3) 2_655 .
C35 C34 C35 C36 -0.2(3) 2_655 .
C33 C34 C35 C36 179.8(3) . .
C34 C35 C36 C37 0.5(6) . .
C35 C36 C37 C36 -0.2(3) . 2_655
C35 C36 C37 C38 179.8(3) . .
Cu2 C1 N1 Cu1 -69(6) . .
N3 Cu1 N1 C1 -5(4) 8_465 .
N4 Cu1 N1 C1 173(3) 7_455 .
Cu3 C2 N2 Cu2 -46(5) . .
C1 Cu2 N2 C2 147.0(19) . .
N6 Cu2 N2 C2 -34(2) . .
Cu3 C3 N3 Cu1 -85(19) . 8_566
C20 C19 N4 C18 0.5(6) . .
C20 C19 N4 Cu1 176.5(3) . 7_455
C17 C18 N4 C19 -1.8(6) . .
C17 C18 N4 Cu1 -178.0(3) . 7_455
C12 C13 N5 C14 0.3(6) . .
C16 C13 N5 C14 -179.4(3) . .
C15 C14 N5 C13 0.3(6) . .
C21 C14 N5 C13 -179.9(3) . .
C22 C23 N6 C24 1.8(6) . .
C22 C23 N6 Cu2 -175.9(3) . .
C25 C24 N6 C23 -0.3(6) . .
C25 C24 N6 Cu2 177.4(3) . .
C1 Cu2 N6 C23 1.3(4) . .
N2 Cu2 N6 C23 -178.0(3) . .
C1 Cu2 N6 C24 -176.2(3) . .
N2 Cu2 N6 C24 4.5(3) . .
C29 C30 N7 C26 0.8(7) . .
C29 C30 N7 Cu3 -167.1(4) . .
C27 C26 N7 C30 0.8(7) . .
C27 C26 N7 Cu3 168.7(4) . .
C2 Cu3 N7 C30 -59.9(4) . .
C3 Cu3 N7 C30 117.2(4) . .
C2 Cu3 N7 C26 132.8(4) . .
C3 Cu3 N7 C26 -50.1(4) . .
C32 C31 N8 C31 0.9(3) . 2_655
C28 C31 N8 C31 -179.4(4) . 2_655
