#------------------------------------------------------------------------------
#$Date: 2025-08-21 22:04:39 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301851 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/29/7052965.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_7052965
loop_
_publ_author_name
'Li, Xin'
'Li, Xue-Jie'
'Li, Yan-Tuan'
'Wu, Zhi-Yong'
'Yan, Cui-Wei'
_publ_section_title
;
 Syntheses and structures of tetracopper(ii) complexes with an
 N-benzoate-N′-[3-(2-hydroxylethylammino)propyl]oxamide ligand:
 reactivity towards DNA, cytotoxic and antimicrobial activities
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2472
_journal_paper_doi               10.1039/c2nj40682a
_journal_volume                  36
_journal_year                    2012
_chemical_formula_sum            'C40 H44 Cl2 Cu4 N14 O18 S4'
_chemical_formula_weight         1462.19
_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                 103.572(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9583(13)
_cell_length_b                   25.467(2)
_cell_length_c                   15.4276(15)
_cell_measurement_temperature    293(2)
_cell_volume                     5331.0(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13995
_diffrn_reflns_theta_full        27.63
_diffrn_reflns_theta_max         27.63
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.917
_exptl_absorpt_correction_T_max  0.8936
_exptl_absorpt_correction_T_min  0.7751
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.773
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6138
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0398
_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)+(0.0619P)²+4.3082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1056
_refine_ls_wR_factor_ref         0.1163
_reflns_number_gt                4536
_reflns_number_total             6138
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2nj40682a.txt
_cod_data_source_block           081110c_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5330.9(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7052965
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
C1 C 0.1522(2) 0.28854(13) -0.1905(2) 0.0427(7) Uani 1 1 d .
C2 C 0.1348(2) 0.23396(12) -0.16264(19) 0.0362(6) Uani 1 1 d .
C3 C 0.1141(2) 0.21904(12) -0.0811(2) 0.0363(7) Uani 1 1 d .
C4 C 0.0921(2) 0.16640(13) -0.0681(2) 0.0449(7) Uani 1 1 d .
H4 H 0.0747 0.1566 -0.0158 0.054 Uiso 1 1 calc R
C5 C 0.0960(3) 0.12895(14) -0.1317(2) 0.0531(9) Uani 1 1 d .
H5 H 0.0813 0.0941 -0.1220 0.064 Uiso 1 1 calc R
C6 C 0.1216(3) 0.14297(15) -0.2100(2) 0.0527(9) Uani 1 1 d .
H6 H 0.1270 0.1176 -0.2519 0.063 Uiso 1 1 calc R
C7 C 0.1389(2) 0.19428(14) -0.2249(2) 0.0458(8) Uani 1 1 d .
H7 H 0.1539 0.2035 -0.2785 0.055 Uiso 1 1 calc R
C8 C 0.1207(2) 0.24555(12) 0.06983(19) 0.0337(6) Uani 1 1 d .
C9 C 0.1198(2) 0.29231(12) 0.1306(2) 0.0357(6) Uani 1 1 d .
C10 C 0.1182(3) 0.38390(13) 0.1511(2) 0.0514(8) Uani 1 1 d .
H10A H 0.1649 0.3777 0.2075 0.062 Uiso 1 1 calc R
H10B H 0.0540 0.3900 0.1633 0.062 Uiso 1 1 calc R
C11 C 0.1492(3) 0.43197(14) 0.1067(3) 0.0587(10) Uani 1 1 d .
H11A H 0.1559 0.4615 0.1473 0.070 Uiso 1 1 calc R
H11B H 0.2130 0.4256 0.0940 0.070 Uiso 1 1 calc R
C12 C 0.0764(3) 0.44547(13) 0.0219(2) 0.0534(9) Uani 1 1 d .
H12A H 0.0104 0.4427 0.0316 0.064 Uiso 1 1 calc R
H12B H 0.0865 0.4817 0.0067 0.064 Uiso 1 1 calc R
C13 C 0.0001(3) 0.42029(15) -0.1310(2) 0.0612(10) Uani 1 1 d .
H13A H 0.0150 0.4048 -0.1837 0.073 Uiso 1 1 calc R
H13B H -0.0086 0.4577 -0.1414 0.073 Uiso 1 1 calc R
C14 C -0.0935(3) 0.39756(15) -0.1177(3) 0.0661(11) Uani 1 1 d .
H14A H -0.1156 0.4174 -0.0724 0.079 Uiso 1 1 calc R
H14B H -0.1440 0.4001 -0.1728 0.079 Uiso 1 1 calc R
C15 C 0.1239(2) 0.25270(15) 0.4161(2) 0.0465(8) Uani 1 1 d .
C16 C 0.1305(3) 0.16804(16) 0.4918(3) 0.0596(10) Uani 1 1 d .
H16 H 0.1337 0.1393 0.5296 0.072 Uiso 1 1 calc R
C17 C 0.1285(2) 0.16494(14) 0.4046(2) 0.0458(8) Uani 1 1 d .
C18 C 0.1320(3) 0.11971(14) 0.3487(2) 0.0480(8) Uani 1 1 d .
C19 C 0.1324(3) 0.06827(15) 0.3673(3) 0.0643(11) Uani 1 1 d .
H19 H 0.1265 0.0542 0.4214 0.077 Uiso 1 1 calc R
C20 C 0.1480(3) 0.08879(14) 0.2167(3) 0.0520(9) Uani 1 1 d .
Cu1 Cu 0.10012(3) 0.333633(14) -0.03416(2) 0.03751(12) Uani 1 1 d .
Cu2 Cu 0.14130(3) 0.207332(15) 0.23767(2) 0.03944(12) Uani 1 1 d .
N1 N 0.11449(17) 0.25741(10) -0.01387(16) 0.0344(5) Uani 1 1 d .
N2 N 0.11362(19) 0.33773(10) 0.09416(17) 0.0391(6) Uani 1 1 d .
N3 N 0.0835(2) 0.41157(10) -0.05460(19) 0.0450(6) Uani 1 1 d .
H3 H 0.1380 0.4225 -0.0722 0.054 Uiso 1 1 calc R
N4 N 0.12557(19) 0.21318(11) 0.36119(18) 0.0434(6) Uani 1 1 d .
N5 N 0.1386(2) 0.13174(11) 0.26235(18) 0.0451(6) Uani 1 1 d .
N6 N 0.1209(2) 0.30297(12) 0.3931(2) 0.0551(8) Uani 1 1 d .
H6A H 0.1199 0.3117 0.3391 0.066 Uiso 1 1 calc R
H6B H 0.1200 0.3269 0.4323 0.066 Uiso 1 1 calc R
N7 N 0.1575(3) 0.08933(12) 0.1334(2) 0.0718(10) Uani 1 1 d .
H7A H 0.1578 0.1187 0.1060 0.086 Uiso 1 1 calc R
H7B H 0.1633 0.0603 0.1067 0.086 Uiso 1 1 calc R
O1 O 0.1318(2) 0.32799(9) -0.14825(17) 0.0576(7) Uani 1 1 d .
O2 O 0.18515(17) 0.29404(9) -0.25869(15) 0.0476(6) Uani 1 1 d .
O3 O 0.12874(16) 0.20140(8) 0.10827(14) 0.0417(5) Uani 1 1 d .
O4 O 0.12485(16) 0.28131(8) 0.21252(14) 0.0414(5) Uani 1 1 d .
O5 O -0.08024(19) 0.34374(10) -0.09094(17) 0.0593(7) Uani 1 1 d .
H5A H -0.1096 0.3211 -0.1349 0.071 Uiso 1 1 d R
O11 O 0.3343(4) -0.07480(17) 0.0753(4) 0.1409(18) Uani 1 1 d .
O12 O 0.3427(4) -0.01107(18) 0.1841(3) 0.1335(16) Uani 1 1 d .
O13 O 0.2408(3) -0.00133(14) 0.0501(3) 0.1127(13) Uani 1 1 d .
O14 O 0.2114(4) -0.06591(19) 0.1447(3) 0.1372(17) Uani 1 1 d .
S1 S 0.12619(7) 0.23238(5) 0.52385(6) 0.0587(3) Uani 1 1 d .
S2 S 0.14544(9) 0.03196(4) 0.27673(8) 0.0674(3) Uani 1 1 d .
Cl1 Cl 0.28356(9) -0.03926(4) 0.11493(7) 0.0661(3) Uani 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O2 C1 O1 121.1(3) .
O2 C1 C2 117.6(3) .
O1 C1 C2 121.3(3) .
C7 C2 C3 117.8(3) .
C7 C2 C1 116.0(3) .
C3 C2 C1 126.2(3) .
C4 C3 C2 119.0(3) .
C4 C3 N1 121.1(3) .
C2 C3 N1 119.9(3) .
C5 C4 C3 121.0(3) .
C5 C4 H4 119.5 .
C3 C4 H4 119.5 .
C4 C5 C6 120.2(3) .
C4 C5 H5 119.9 .
C6 C5 H5 119.9 .
C7 C6 C5 119.2(3) .
C7 C6 H6 120.4 .
C5 C6 H6 120.4 .
C6 C7 C2 122.7(3) .
C6 C7 H7 118.7 .
C2 C7 H7 118.7 .
O3 C8 N1 130.2(3) .
O3 C8 C9 114.9(3) .
N1 C8 C9 114.9(3) .
O4 C9 N2 127.9(3) .
O4 C9 C8 115.6(3) .
N2 C9 C8 116.5(3) .
N2 C10 C11 110.8(3) .
N2 C10 H10A 109.5 .
C11 C10 H10A 109.5 .
N2 C10 H10B 109.5 .
C11 C10 H10B 109.5 .
H10A C10 H10B 108.1 .
C12 C11 C10 112.0(3) .
C12 C11 H11A 109.2 .
C10 C11 H11A 109.2 .
C12 C11 H11B 109.2 .
C10 C11 H11B 109.2 .
H11A C11 H11B 107.9 .
N3 C12 C11 113.8(3) .
N3 C12 H12A 108.8 .
C11 C12 H12A 108.8 .
N3 C12 H12B 108.8 .
C11 C12 H12B 108.8 .
H12A C12 H12B 107.7 .
N3 C13 C14 112.8(3) .
N3 C13 H13A 109.0 .
C14 C13 H13A 109.0 .
N3 C13 H13B 109.0 .
C14 C13 H13B 109.0 .
H13A C13 H13B 107.8 .
O5 C14 C13 110.7(3) .
O5 C14 H14A 109.5 .
C13 C14 H14A 109.5 .
O5 C14 H14B 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 108.1 .
N4 C15 N6 124.7(3) .
N4 C15 S1 112.9(3) .
N6 C15 S1 122.4(3) .
C17 C16 S1 110.6(3) .
C17 C16 H16 124.7 .
S1 C16 H16 124.7 .
C16 C17 N4 114.9(3) .
C16 C17 C18 130.4(3) .
N4 C17 C18 114.7(3) .
C19 C18 N5 114.9(3) .
C19 C18 C17 130.6(3) .
N5 C18 C17 114.5(3) .
C18 C19 S2 110.4(3) .
C18 C19 H19 124.8 .
S2 C19 H19 124.8 .
N7 C20 N5 123.6(3) .
N7 C20 S2 123.4(3) .
N5 C20 S2 113.0(3) .
O1 Cu1 N2 161.59(12) .
O1 Cu1 N1 92.02(10) .
N2 Cu1 N1 84.79(10) .
O1 Cu1 N3 88.46(11) .
N2 Cu1 N3 94.95(11) .
N1 Cu1 N3 179.19(10) .
O1 Cu1 O5 96.75(11) .
N2 Cu1 O5 101.64(10) .
N1 Cu1 O5 102.47(9) .
N3 Cu1 O5 76.82(10) .
O4 Cu2 N5 172.17(10) .
O4 Cu2 O3 83.84(9) .
N5 Cu2 O3 96.90(10) .
O4 Cu2 N4 94.91(10) .
N5 Cu2 N4 82.85(11) .
O3 Cu2 N4 168.82(10) .
O4 Cu2 O2 96.42(9) 7
N5 Cu2 O2 91.39(10) 7
O3 Cu2 O2 89.00(8) 7
N4 Cu2 O2 102.17(9) 7
C8 N1 C3 123.2(3) .
C8 N1 Cu1 111.4(2) .
C3 N1 Cu1 125.3(2) .
C9 N2 C10 118.3(3) .
C9 N2 Cu1 112.3(2) .
C10 N2 Cu1 129.4(2) .
C13 N3 C12 111.3(3) .
C13 N3 Cu1 108.4(2) .
C12 N3 Cu1 118.4(2) .
C13 N3 H3 106.0 .
C12 N3 H3 106.0 .
Cu1 N3 H3 106.0 .
C15 N4 C17 111.5(3) .
C15 N4 Cu2 134.4(2) .
C17 N4 Cu2 113.5(2) .
C20 N5 C18 111.4(3) .
C20 N5 Cu2 134.2(2) .
C18 N5 Cu2 114.2(2) .
C15 N6 H6A 120.0 .
C15 N6 H6B 120.0 .
H6A N6 H6B 120.0 .
C20 N7 H7A 120.0 .
C20 N7 H7B 120.0 .
H7A N7 H7B 120.0 .
C1 O1 Cu1 131.3(2) .
C1 O2 Cu2 116.7(2) 7
C8 O3 Cu2 112.62(18) .
C9 O4 Cu2 112.91(19) .
C14 O5 Cu1 104.7(2) .
C14 O5 H5A 112.8 .
Cu1 O5 H5A 116.1 .
C16 S1 C15 90.15(18) .
C19 S2 C20 90.28(19) .
O11 Cl1 O14 108.4(3) .
O11 Cl1 O12 114.0(4) .
O14 Cl1 O12 110.4(3) .
O11 Cl1 O13 108.1(3) .
O14 Cl1 O13 110.5(3) .
O12 Cl1 O13 105.4(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.250(4) .
C1 O1 1.266(4) .
C1 C2 1.492(4) .
C2 C7 1.404(4) .
C2 C3 1.408(4) .
C3 C4 1.400(4) .
C3 N1 1.424(4) .
C4 C5 1.378(5) .
C4 H4 0.9300 .
C5 C6 1.385(5) .
C5 H5 0.9300 .
C6 C7 1.358(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O3 1.264(3) .
C8 N1 1.309(4) .
C8 C9 1.518(4) .
C9 O4 1.280(4) .
C9 N2 1.281(4) .
C10 N2 1.460(4) .
C10 C11 1.515(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.496(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 N3 1.484(4) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 N3 1.467(4) .
C13 C14 1.487(6) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 O5 1.431(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N4 1.319(4) .
C15 N6 1.326(5) .
C15 S1 1.734(3) .
C16 C17 1.342(5) .
C16 S1 1.717(4) .
C16 H16 0.9300 .
C17 N4 1.395(4) .
C17 C18 1.446(5) .
C18 C19 1.341(5) .
C18 N5 1.392(4) .
C19 S2 1.720(4) .
C19 H19 0.9300 .
C20 N7 1.322(5) .
C20 N5 1.324(4) .
C20 S2 1.724(4) .
Cu1 O1 1.918(2) .
Cu1 N2 1.947(3) .
Cu1 N1 1.969(2) .
Cu1 N3 2.015(3) .
Cu1 O5 2.477(3) .
Cu2 O4 1.926(2) .
Cu2 N5 1.964(3) .
Cu2 O3 1.968(2) .
Cu2 N4 1.974(3) .
Cu2 O2 2.368(2) 7
N3 H3 0.9100 .
N6 H6A 0.8600 .
N6 H6B 0.8600 .
N7 H7A 0.8600 .
N7 H7B 0.8600 .
O2 Cu2 2.368(2) 7
O5 H5A 0.9120 .
O11 Cl1 1.378(4) .
O12 Cl1 1.386(4) .
O13 Cl1 1.417(4) .
O14 Cl1 1.379(4) .
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
O2 C1 C2 C7 -11.9(4) . .
O1 C1 C2 C7 166.1(3) . .
O2 C1 C2 C3 168.7(3) . .
O1 C1 C2 C3 -13.2(5) . .
C7 C2 C3 C4 -4.2(4) . .
C1 C2 C3 C4 175.2(3) . .
C7 C2 C3 N1 176.6(3) . .
C1 C2 C3 N1 -4.1(5) . .
C2 C3 C4 C5 3.6(5) . .
N1 C3 C4 C5 -177.1(3) . .
C3 C4 C5 C6 -0.1(5) . .
C4 C5 C6 C7 -2.7(6) . .
C5 C6 C7 C2 2.1(5) . .
C3 C2 C7 C6 1.4(5) . .
C1 C2 C7 C6 -178.0(3) . .
O3 C8 C9 O4 -1.6(4) . .
N1 C8 C9 O4 179.4(2) . .
O3 C8 C9 N2 178.7(3) . .
N1 C8 C9 N2 -0.3(4) . .
N2 C10 C11 C12 62.6(4) . .
C10 C11 C12 N3 -77.6(4) . .
N3 C13 C14 O5 -51.3(4) . .
S1 C16 C17 N4 1.3(4) . .
S1 C16 C17 C18 179.0(3) . .
C16 C17 C18 C19 4.4(7) . .
N4 C17 C18 C19 -177.8(4) . .
C16 C17 C18 N5 -173.6(4) . .
N4 C17 C18 N5 4.2(4) . .
N5 C18 C19 S2 2.0(4) . .
C17 C18 C19 S2 -176.1(3) . .
O3 C8 N1 C3 1.3(5) . .
C9 C8 N1 C3 -179.9(2) . .
O3 C8 N1 Cu1 178.8(3) . .
C9 C8 N1 Cu1 -2.5(3) . .
C4 C3 N1 C8 18.5(4) . .
C2 C3 N1 C8 -162.3(3) . .
C4 C3 N1 Cu1 -158.6(2) . .
C2 C3 N1 Cu1 20.6(4) . .
O1 Cu1 N1 C8 165.0(2) . .
N2 Cu1 N1 C8 3.2(2) . .
N3 Cu1 N1 C8 -69(8) . .
O5 Cu1 N1 C8 -97.6(2) . .
O1 Cu1 N1 C3 -17.6(2) . .
N2 Cu1 N1 C3 -179.4(2) . .
N3 Cu1 N1 C3 109(8) . .
O5 Cu1 N1 C3 79.8(2) . .
O4 C9 N2 C10 3.8(5) . .
C8 C9 N2 C10 -176.6(3) . .
O4 C9 N2 Cu1 -176.7(2) . .
C8 C9 N2 Cu1 2.9(3) . .
C11 C10 N2 C9 158.1(3) . .
C11 C10 N2 Cu1 -21.3(4) . .
O1 Cu1 N2 C9 -84.1(4) . .
N1 Cu1 N2 C9 -3.4(2) . .
N3 Cu1 N2 C9 175.8(2) . .
O5 Cu1 N2 C9 98.3(2) . .
O1 Cu1 N2 C10 95.4(4) . .
N1 Cu1 N2 C10 176.1(3) . .
N3 Cu1 N2 C10 -4.7(3) . .
O5 Cu1 N2 C10 -82.2(3) . .
C14 C13 N3 C12 -73.2(4) . .
C14 C13 N3 Cu1 58.7(3) . .
C11 C12 N3 C13 169.9(3) . .
C11 C12 N3 Cu1 43.4(4) . .
O1 Cu1 N3 C13 64.6(2) . .
N2 Cu1 N3 C13 -133.5(2) . .
N1 Cu1 N3 C13 -62(8) . .
O5 Cu1 N3 C13 -32.7(2) . .
O1 Cu1 N3 C12 -167.5(3) . .
N2 Cu1 N3 C12 -5.6(3) . .
N1 Cu1 N3 C12 66(8) . .
O5 Cu1 N3 C12 95.2(2) . .
N6 C15 N4 C17 -179.9(3) . .
S1 C15 N4 C17 0.1(4) . .
N6 C15 N4 Cu2 9.2(5) . .
S1 C15 N4 Cu2 -170.74(18) . .
C16 C17 N4 C15 -0.9(4) . .
C18 C17 N4 C15 -179.1(3) . .
C16 C17 N4 Cu2 172.0(3) . .
C18 C17 N4 Cu2 -6.2(4) . .
O4 Cu2 N4 C15 -12.0(3) . .
N5 Cu2 N4 C15 175.5(3) . .
O3 Cu2 N4 C15 -95.1(6) . .
O2 Cu2 N4 C15 85.6(3) 7 .
O4 Cu2 N4 C17 177.2(2) . .
N5 Cu2 N4 C17 4.8(2) . .
O3 Cu2 N4 C17 94.2(5) . .
O2 Cu2 N4 C17 -85.1(2) 7 .
N7 C20 N5 C18 -178.8(4) . .
S2 C20 N5 C18 1.8(4) . .
N7 C20 N5 Cu2 -3.8(6) . .
S2 C20 N5 Cu2 176.74(19) . .
C19 C18 N5 C20 -2.4(4) . .
C17 C18 N5 C20 175.9(3) . .
C19 C18 N5 Cu2 -178.5(3) . .
C17 C18 N5 Cu2 -0.1(4) . .
O4 Cu2 N5 C20 108.8(8) . .
O3 Cu2 N5 C20 13.9(3) . .
N4 Cu2 N5 C20 -177.4(4) . .
O2 Cu2 N5 C20 -75.3(3) 7 .
O4 Cu2 N5 C18 -76.3(8) . .
O3 Cu2 N5 C18 -171.3(2) . .
N4 Cu2 N5 C18 -2.5(2) . .
O2 Cu2 N5 C18 99.6(2) 7 .
O2 C1 O1 Cu1 -169.3(2) . .
C2 C1 O1 Cu1 12.8(5) . .
N2 Cu1 O1 C1 80.3(5) . .
N1 Cu1 O1 C1 0.8(3) . .
N3 Cu1 O1 C1 -178.6(3) . .
O5 Cu1 O1 C1 -102.0(3) . .
O1 C1 O2 Cu2 94.2(3) . 7
C2 C1 O2 Cu2 -87.8(3) . 7
N1 C8 O3 Cu2 177.3(3) . .
C9 C8 O3 Cu2 -1.5(3) . .
O4 Cu2 O3 C8 2.8(2) . .
N5 Cu2 O3 C8 175.0(2) . .
N4 Cu2 O3 C8 87.0(6) . .
O2 Cu2 O3 C8 -93.7(2) 7 .
N2 C9 O4 Cu2 -176.4(3) . .
C8 C9 O4 Cu2 4.0(3) . .
N5 Cu2 O4 C9 -99.6(8) . .
O3 Cu2 O4 C9 -3.8(2) . .
N4 Cu2 O4 C9 -172.6(2) . .
O2 Cu2 O4 C9 84.5(2) 7 .
C13 C14 O5 Cu1 19.3(4) . .
O1 Cu1 O5 C14 -79.2(2) . .
N2 Cu1 O5 C14 100.1(2) . .
N1 Cu1 O5 C14 -172.8(2) . .
N3 Cu1 O5 C14 7.6(2) . .
C17 C16 S1 C15 -1.0(3) . .
N4 C15 S1 C16 0.5(3) . .
N6 C15 S1 C16 -179.5(3) . .
C18 C19 S2 C20 -0.8(3) . .
N7 C20 S2 C19 180.0(4) . .
N5 C20 S2 C19 -0.6(3) . .
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1 PubChem 139176185
