#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/24/7012420.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_7012420
loop_
_publ_author_name
'Dong, Yu-Bin'
'Ma, Jian-Ping'
'Huang, Ru-Qi'
'Liang, Fang-Zhen'
'Smith, Mark D.'
_publ_section_title
;
 Synthesis and characterization of new coordination polymers generated
 from oxadiazole-containing ligand and inorganic M(ii) [M = Cu(ii),
 Co(ii)] salts
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1472
_journal_paper_doi               10.1039/b210811a
_journal_year                    2003
_chemical_formula_sum            'C24 H24 Cl2 Cu N8 O14'
_chemical_formula_weight         782.95
_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                94.2320(10)
_cell_angle_beta                 91.4680(10)
_cell_angle_gamma                109.0700(10)
_cell_formula_units_Z            2
_cell_length_a                   7.3841(3)
_cell_length_b                   11.0490(5)
_cell_length_c                   20.2981(9)
_cell_measurement_reflns_used    9426
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      26.410
_cell_measurement_theta_min      2.278
_cell_volume                     1558.73(12)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0556
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14436
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.954
_exptl_absorpt_correction_T_max  0.8677
_exptl_absorpt_correction_T_min  0.5541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            cyan
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             798
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.740
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         6350
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0403
_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)+(0.0391P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0913
_reflns_number_gt                5008
_reflns_number_total             6350
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210811a.txt
_cod_data_source_block           Compound_4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012420
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu 0.41674(4) 0.41599(3) 0.240215(15) 0.02102(10) Uani 1 1 d . . .
C1 C 0.2440(4) 0.2111(2) 0.32714(14) 0.0298(6) Uani 1 1 d . . .
H1 H 0.1981 0.2746 0.3477 0.036 Uiso 1 1 calc R . .
C2 C 0.2112(4) 0.0979(2) 0.35589(13) 0.0279(6) Uani 1 1 d . . .
H2 H 0.1469 0.0845 0.3960 0.034 Uiso 1 1 calc R . .
C3 C 0.2736(4) 0.0037(2) 0.32544(12) 0.0217(5) Uani 1 1 d . . .
C4 C 0.3662(4) 0.0272(2) 0.26675(13) 0.0265(6) Uani 1 1 d . . .
H4 H 0.4084 -0.0364 0.2442 0.032 Uiso 1 1 calc R . .
C5 C 0.3958(4) 0.1444(2) 0.24185(13) 0.0267(6) Uani 1 1 d . . .
H5 H 0.4605 0.1606 0.2019 0.032 Uiso 1 1 calc R . .
C6 C 0.2492(4) -0.1163(2) 0.35590(12) 0.0210(5) Uani 1 1 d . . .
C7 C 0.2271(3) -0.2379(2) 0.43271(12) 0.0203(5) Uani 1 1 d . . .
C8 C 0.2372(4) -0.2214(3) 0.61617(14) 0.0338(7) Uani 1 1 d . . .
H8 H 0.2435 -0.1600 0.6522 0.041 Uiso 1 1 calc R . .
C9 C 0.2359(4) -0.1841(3) 0.55319(13) 0.0285(6) Uani 1 1 d . . .
H9 H 0.2409 -0.0991 0.5460 0.034 Uiso 1 1 calc R . .
C10 C 0.2273(3) -0.2726(2) 0.50057(12) 0.0219(5) Uani 1 1 d . . .
C11 C 0.2199(4) -0.3955(3) 0.51313(14) 0.0273(6) Uani 1 1 d . . .
H11 H 0.2147 -0.4585 0.4780 0.033 Uiso 1 1 calc R . .
C12 C 0.2204(4) -0.4240(3) 0.57825(14) 0.0312(7) Uani 1 1 d . . .
H12 H 0.2135 -0.5087 0.5869 0.037 Uiso 1 1 calc R . .
N1 N 0.3375(3) 0.23640(19) 0.27145(10) 0.0221(5) Uani 1 1 d . . .
N2 N 0.2219(3) -0.2298(2) 0.32686(10) 0.0263(5) Uani 1 1 d . . .
N3 N 0.2060(3) -0.3100(2) 0.37807(11) 0.0257(5) Uani 1 1 d . . .
N4 N 0.2299(3) -0.3393(2) 0.62945(11) 0.0323(6) Uani 1 1 d . . .
O1 O 0.2541(2) -0.11357(15) 0.42225(8) 0.0198(4) Uani 1 1 d . . .
C13 C 0.8530(4) 1.1618(3) -0.09567(14) 0.0327(7) Uani 1 1 d . . .
H13 H 0.7851 1.1159 -0.1351 0.039 Uiso 1 1 calc R . .
C14 C 0.8247(4) 1.1005(3) -0.03837(13) 0.0292(6) Uani 1 1 d . . .
H14 H 0.7392 1.0150 -0.0382 0.035 Uiso 1 1 calc R . .
C15 C 0.9239(4) 1.1667(2) 0.01896(12) 0.0230(6) Uani 1 1 d . . .
C16 C 1.0493(4) 1.2904(3) 0.01629(14) 0.0300(6) Uani 1 1 d . . .
H16 H 1.1220 1.3375 0.0547 0.036 Uiso 1 1 calc R . .
C17 C 1.0660(4) 1.3436(3) -0.04382(14) 0.0330(7) Uani 1 1 d . . .
H17 H 1.1508 1.4289 -0.0455 0.040 Uiso 1 1 calc R . .
C18 C 0.8951(4) 1.1096(2) 0.08236(13) 0.0236(6) Uani 1 1 d . . .
C19 C 0.7857(4) 0.9654(2) 0.14781(12) 0.0234(6) Uani 1 1 d . . .
C20 C 0.4813(4) 0.6210(2) 0.14709(13) 0.0242(6) Uani 1 1 d . . .
H20 H 0.3999 0.5543 0.1170 0.029 Uiso 1 1 calc R . .
C21 C 0.5641(4) 0.7406(2) 0.12502(13) 0.0245(6) Uani 1 1 d . . .
H21 H 0.5399 0.7560 0.0808 0.029 Uiso 1 1 calc R . .
C22 C 0.6834(4) 0.8381(2) 0.16869(12) 0.0220(6) Uani 1 1 d . . .
C23 C 0.7110(4) 0.8129(2) 0.23328(13) 0.0266(6) Uani 1 1 d . . .
H23 H 0.7886 0.8788 0.2646 0.032 Uiso 1 1 calc R . .
C24 C 0.6233(4) 0.6902(2) 0.25126(13) 0.0267(6) Uani 1 1 d . . .
H24 H 0.6437 0.6726 0.2954 0.032 Uiso 1 1 calc R . .
N5 N 0.9704(3) 1.2821(2) -0.09923(11) 0.0312(5) Uani 1 1 d . . .
N6 N 0.9616(3) 1.1606(2) 0.14046(11) 0.0276(5) Uani 1 1 d . . .
N7 N 0.8898(3) 1.0661(2) 0.18421(11) 0.0294(5) Uani 1 1 d . . .
N8 N 0.5101(3) 0.59438(19) 0.20894(10) 0.0217(5) Uani 1 1 d . . .
O2 O 0.7808(2) 0.98483(16) 0.08258(8) 0.0229(4) Uani 1 1 d . . .
O3 O 0.3701(3) 0.49662(19) 0.34715(10) 0.0331(5) Uani 1 1 d D . .
H3A H 0.298(4) 0.541(3) 0.3528(17) 0.063(12) Uiso 1 1 d D . .
H3B H 0.455(4) 0.531(3) 0.3767(13) 0.058(12) Uiso 1 1 d D . .
O4 O 0.6826(3) 0.43179(19) 0.26174(10) 0.0278(4) Uani 1 1 d D . .
H4A H 0.719(4) 0.405(3) 0.2957(11) 0.047(10) Uiso 1 1 d D . .
H4B H 0.778(3) 0.469(3) 0.2418(14) 0.045(10) Uiso 1 1 d D . .
O5 O 0.1495(3) 0.39279(18) 0.21503(10) 0.0286(4) Uani 1 1 d D . .
H5A H 0.099(5) 0.331(2) 0.1879(14) 0.060(12) Uiso 1 1 d D . .
H5B H 0.103(5) 0.448(3) 0.2071(16) 0.056(11) Uiso 1 1 d D . .
Cl1 Cl 0.57234(10) 0.30810(6) 0.08538(3) 0.02923(16) Uani 1 1 d . . .
O11 O 0.4240(3) 0.32809(17) 0.12548(9) 0.0298(4) Uani 1 1 d . . .
O12 O 0.5430(3) 0.17245(19) 0.07838(13) 0.0558(7) Uani 1 1 d . . .
O13 O 0.7568(3) 0.37463(18) 0.11710(9) 0.0347(5) Uani 1 1 d . . .
O14 O 0.5605(4) 0.3552(3) 0.02274(10) 0.0631(7) Uani 1 1 d . . .
Cl2A Cl 0.74503(10) -0.20202(7) 0.43676(4) 0.03890(19) Uani 0.623(11) 1 d P A 2
O21A O 0.8567(9) -0.2393(6) 0.3846(3) 0.0456(15) Uani 0.623(11) 1 d P A 2
O22A O 0.6328(6) -0.1344(4) 0.4020(4) 0.0528(18) Uani 0.623(11) 1 d P A 2
O23A O 0.8685(7) -0.1197(7) 0.4843(3) 0.0605(19) Uani 0.623(11) 1 d P A 2
O24A O 0.619(2) -0.3182(14) 0.4565(7) 0.068(3) Uani 0.623(11) 1 d P A 2
Cl2B Cl 0.74503(10) -0.20202(7) 0.43676(4) 0.03890(19) Uani 0.377(11) 1 d P A 1
O21B O 0.8519(15) -0.1710(17) 0.3861(5) 0.073(4) Uani 0.377(11) 1 d P A 1
O22B O 0.6295(9) -0.1268(6) 0.4581(8) 0.061(4) Uani 0.377(11) 1 d P A 1
O23B O 0.8737(10) -0.1968(12) 0.4989(3) 0.049(3) Uani 0.377(11) 1 d P A 1
O24B O 0.621(4) -0.3306(19) 0.4332(11) 0.063(6) Uani 0.377(11) 1 d P A 1
O6 O 1.0195(3) -0.40643(17) 0.21513(10) 0.0244(4) Uani 1 1 d D . .
H6A H 1.073(4) -0.353(2) 0.2447(11) 0.037(9) Uiso 1 1 d D . .
H6B H 1.023(4) -0.377(3) 0.1791(10) 0.045(10) Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
O4 Cu O5 176.94(9) . . ?
O4 Cu N8 88.75(8) . . ?
O5 Cu N8 92.52(8) . . ?
O4 Cu N1 88.28(8) . . ?
O5 Cu N1 90.41(8) . . ?
N8 Cu N1 176.91(8) . . ?
O4 Cu O3 93.57(8) . . ?
O5 Cu O3 89.17(8) . . ?
N8 Cu O3 91.88(8) . . ?
N1 Cu O3 89.15(8) . . ?
O4 Cu O11 93.39(7) . . ?
O5 Cu O11 83.87(8) . . ?
N8 Cu O11 88.61(7) . . ?
N1 Cu O11 90.72(7) . . ?
O3 Cu O11 173.04(7) . . ?
N1 C1 C2 123.2(2) . . ?
C1 C2 C3 118.8(2) . . ?
C2 C3 C4 118.7(2) . . ?
C2 C3 C6 120.6(2) . . ?
C4 C3 C6 120.7(2) . . ?
C5 C4 C3 118.7(2) . . ?
N1 C5 C4 122.8(2) . . ?
N2 C6 O1 113.3(2) . . ?
N2 C6 C3 128.2(2) . . ?
O1 C6 C3 118.5(2) . . ?
N3 C7 O1 112.3(2) . . ?
N3 C7 C10 129.0(2) . . ?
O1 C7 C10 118.7(2) . . ?
N4 C8 C9 123.5(3) . . ?
C8 C9 C10 118.6(3) . . ?
C9 C10 C11 118.9(2) . . ?
C9 C10 C7 120.9(2) . . ?
C11 C10 C7 120.2(2) . . ?
C12 C11 C10 118.1(3) . . ?
N4 C12 C11 123.6(3) . . ?
C5 N1 C1 117.7(2) . . ?
C5 N1 Cu 121.32(17) . . ?
C1 N1 Cu 120.51(17) . . ?
C6 N2 N3 105.3(2) . . ?
C7 N3 N2 106.6(2) . . ?
C12 N4 C8 117.3(2) . . ?
C6 O1 C7 102.62(19) . . ?
N5 C13 C14 123.9(3) . . ?
C13 C14 C15 118.2(3) . . ?
C14 C15 C16 119.0(2) . . ?
C14 C15 C18 121.2(2) . . ?
C16 C15 C18 119.8(2) . . ?
C15 C16 C17 118.2(3) . . ?
N5 C17 C16 123.7(3) . . ?
N6 C18 O2 112.4(2) . . ?
N6 C18 C15 129.3(2) . . ?
O2 C18 C15 118.3(2) . . ?
N7 C19 O2 112.9(2) . . ?
N7 C19 C22 127.8(2) . . ?
O2 C19 C22 119.2(2) . . ?
N8 C20 C21 123.0(2) . . ?
C20 C21 C22 118.6(2) . . ?
C23 C22 C21 119.0(2) . . ?
C23 C22 C19 119.2(2) . . ?
C21 C22 C19 121.8(2) . . ?
C24 C23 C22 118.6(2) . . ?
N8 C24 C23 122.8(2) . . ?
C17 N5 C13 116.9(2) . . ?
C18 N6 N7 106.9(2) . . ?
C19 N7 N6 105.5(2) . . ?
C20 N8 C24 117.9(2) . . ?
C20 N8 Cu 124.10(17) . . ?
C24 N8 Cu 117.74(17) . . ?
C19 O2 C18 102.26(19) . . ?
O14 Cl1 O13 109.47(13) . . ?
O14 Cl1 O12 110.92(16) . . ?
O13 Cl1 O12 109.39(13) . . ?
O14 Cl1 O11 109.21(14) . . ?
O13 Cl1 O11 109.99(11) . . ?
O12 Cl1 O11 107.84(12) . . ?
Cl1 O11 Cu 134.36(11) . . ?
O23A Cl2A O24A 117.6(6) . . ?
O23A Cl2A O21A 109.2(3) . . ?
O24A Cl2A O21A 105.8(6) . . ?
O23A Cl2A O22A 110.2(3) . . ?
O24A Cl2A O22A 109.1(7) . . ?
O21A Cl2A O22A 104.0(3) . . ?
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
Cu O4 1.9487(19) . ?
Cu O5 1.954(2) . ?
Cu N8 2.020(2) . ?
Cu N1 2.032(2) . ?
Cu O3 2.362(2) . ?
Cu O11 2.4651(18) . ?
C1 N1 1.339(3) . ?
C1 C2 1.371(3) . ?
C2 C3 1.381(3) . ?
C3 C4 1.388(4) . ?
C3 C6 1.465(3) . ?
C4 C5 1.378(3) . ?
C5 N1 1.337(3) . ?
C6 N2 1.297(3) . ?
C6 O1 1.344(3) . ?
C7 N3 1.292(3) . ?
C7 O1 1.355(3) . ?
C7 C10 1.457(3) . ?
C8 N4 1.334(4) . ?
C8 C9 1.372(4) . ?
C9 C10 1.380(4) . ?
C10 C11 1.384(3) . ?
C11 C12 1.381(4) . ?
C12 N4 1.330(4) . ?
N2 N3 1.397(3) . ?
C13 N5 1.338(3) . ?
C13 C14 1.375(4) . ?
C14 C15 1.381(4) . ?
C15 C16 1.384(4) . ?
C15 C18 1.465(3) . ?
C16 C17 1.384(4) . ?
C17 N5 1.326(3) . ?
C18 N6 1.281(3) . ?
C18 O2 1.361(3) . ?
C19 N7 1.291(3) . ?
C19 O2 1.358(3) . ?
C19 C22 1.462(3) . ?
C20 N8 1.338(3) . ?
C20 C21 1.376(3) . ?
C21 C22 1.386(3) . ?
C22 C23 1.384(3) . ?
C23 C24 1.379(3) . ?
C24 N8 1.344(3) . ?
N6 N7 1.400(3) . ?
Cl1 O14 1.420(2) . ?
Cl1 O13 1.4287(19) . ?
Cl1 O12 1.438(2) . ?
Cl1 O11 1.4451(19) . ?
Cl2A O23A 1.369(4) . ?
Cl2A O24A 1.411(15) . ?
Cl2A O21A 1.475(6) . ?
Cl2A O22A 1.481(4) . ?
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 H4B O13 0.822(14) 2.65(3) 3.058(3) 113(3) .
O3 H3A N3 0.836(14) 2.016(19) 2.821(3) 161(4) 1_565
O3 H3B O24B 0.829(14) 1.90(3) 2.68(2) 156(4) 1_565
O3 H3B O24A 0.829(14) 2.25(2) 3.024(14) 156(3) 1_565
O4 H4B O6 0.822(14) 1.982(17) 2.782(3) 164(3) 1_565
O4 H4A N4 0.840(14) 1.815(15) 2.651(3) 173(3) 2_656
O5 H5A N6 0.822(14) 1.984(17) 2.791(3) 167(3) 1_445
O5 H5B O6 0.815(14) 1.899(17) 2.690(3) 163(3) 1_465
O6 H6A N2 0.807(14) 2.105(15) 2.907(3) 173(3) 1_655
O6 H6B N5 0.823(14) 1.984(15) 2.801(3) 172(3) 2_765
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
N1 C1 C2 C3 -1.5(4) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C1 C2 C3 C6 177.3(3) . . . . ?
C2 C3 C4 C5 1.3(4) . . . . ?
C6 C3 C4 C5 -176.3(2) . . . . ?
C3 C4 C5 N1 -0.7(4) . . . . ?
C2 C3 C6 N2 148.6(3) . . . . ?
C4 C3 C6 N2 -33.9(4) . . . . ?
C2 C3 C6 O1 -31.2(4) . . . . ?
C4 C3 C6 O1 146.3(2) . . . . ?
N4 C8 C9 C10 -0.2(4) . . . . ?
C8 C9 C10 C11 0.1(4) . . . . ?
C8 C9 C10 C7 -179.5(2) . . . . ?
N3 C7 C10 C9 -174.5(3) . . . . ?
O1 C7 C10 C9 6.3(4) . . . . ?
N3 C7 C10 C11 5.8(4) . . . . ?
O1 C7 C10 C11 -173.4(2) . . . . ?
C9 C10 C11 C12 0.4(4) . . . . ?
C7 C10 C11 C12 -180.0(2) . . . . ?
C10 C11 C12 N4 -0.9(4) . . . . ?
C4 C5 N1 C1 -1.0(4) . . . . ?
C4 C5 N1 Cu 171.3(2) . . . . ?
C2 C1 N1 C5 2.1(4) . . . . ?
C2 C1 N1 Cu -170.3(2) . . . . ?
O4 Cu N1 C5 -61.6(2) . . . . ?
O5 Cu N1 C5 115.6(2) . . . . ?
N8 Cu N1 C5 -45.8(16) . . . . ?
O3 Cu N1 C5 -155.2(2) . . . . ?
O11 Cu N1 C5 31.8(2) . . . . ?
O4 Cu N1 C1 110.5(2) . . . . ?
O5 Cu N1 C1 -72.3(2) . . . . ?
N8 Cu N1 C1 126.4(15) . . . . ?
O3 Cu N1 C1 16.9(2) . . . . ?
O11 Cu N1 C1 -156.1(2) . . . . ?
O1 C6 N2 N3 0.4(3) . . . . ?
C3 C6 N2 N3 -179.4(2) . . . . ?
O1 C7 N3 N2 0.7(3) . . . . ?
C10 C7 N3 N2 -178.5(2) . . . . ?
C6 N2 N3 C7 -0.7(3) . . . . ?
C11 C12 N4 C8 0.8(4) . . . . ?
C9 C8 N4 C12 -0.2(4) . . . . ?
N2 C6 O1 C7 0.0(3) . . . . ?
C3 C6 O1 C7 179.9(2) . . . . ?
N3 C7 O1 C6 -0.5(3) . . . . ?
C10 C7 O1 C6 178.8(2) . . . . ?
N5 C13 C14 C15 -0.3(4) . . . . ?
C13 C14 C15 C16 -1.0(4) . . . . ?
C13 C14 C15 C18 177.5(2) . . . . ?
C14 C15 C16 C17 1.6(4) . . . . ?
C18 C15 C16 C17 -176.9(3) . . . . ?
C15 C16 C17 N5 -0.9(4) . . . . ?
C14 C15 C18 N6 -173.4(3) . . . . ?
C16 C15 C18 N6 5.1(4) . . . . ?
C14 C15 C18 O2 5.9(4) . . . . ?
C16 C15 C18 O2 -175.6(2) . . . . ?
N8 C20 C21 C22 0.2(4) . . . . ?
C20 C21 C22 C23 -1.8(4) . . . . ?
C20 C21 C22 C19 176.2(2) . . . . ?
N7 C19 C22 C23 -7.1(4) . . . . ?
O2 C19 C22 C23 170.6(2) . . . . ?
N7 C19 C22 C21 174.9(3) . . . . ?
O2 C19 C22 C21 -7.4(4) . . . . ?
C21 C22 C23 C24 2.1(4) . . . . ?
C19 C22 C23 C24 -176.0(2) . . . . ?
C22 C23 C24 N8 -0.9(4) . . . . ?
C16 C17 N5 C13 -0.4(4) . . . . ?
C14 C13 N5 C17 1.1(4) . . . . ?
O2 C18 N6 N7 0.0(3) . . . . ?
C15 C18 N6 N7 179.3(3) . . . . ?
O2 C19 N7 N6 -0.3(3) . . . . ?
C22 C19 N7 N6 177.5(2) . . . . ?
C18 N6 N7 C19 0.2(3) . . . . ?
C21 C20 N8 C24 1.0(4) . . . . ?
C21 C20 N8 Cu -172.58(19) . . . . ?
C23 C24 N8 C20 -0.7(4) . . . . ?
C23 C24 N8 Cu 173.3(2) . . . . ?
O4 Cu N8 C20 119.2(2) . . . . ?
O5 Cu N8 C20 -58.0(2) . . . . ?
N1 Cu N8 C20 103.3(15) . . . . ?
O3 Cu N8 C20 -147.3(2) . . . . ?
O11 Cu N8 C20 25.8(2) . . . . ?
O4 Cu N8 C24 -54.42(19) . . . . ?
O5 Cu N8 C24 128.36(19) . . . . ?
N1 Cu N8 C24 -70.3(16) . . . . ?
O3 Cu N8 C24 39.1(2) . . . . ?
O11 Cu N8 C24 -147.84(19) . . . . ?
N7 C19 O2 C18 0.3(3) . . . . ?
C22 C19 O2 C18 -177.7(2) . . . . ?
N6 C18 O2 C19 -0.2(3) . . . . ?
C15 C18 O2 C19 -179.5(2) . . . . ?
O14 Cl1 O11 Cu -132.70(16) . . . . ?
O13 Cl1 O11 Cu -12.55(19) . . . . ?
O12 Cl1 O11 Cu 106.68(17) . . . . ?
O4 Cu O11 Cl1 -6.15(16) . . . . ?
O5 Cu O11 Cl1 175.20(16) . . . . ?
N8 Cu O11 Cl1 82.51(16) . . . . ?
N1 Cu O11 Cl1 -94.47(16) . . . . ?
O3 Cu O11 Cl1 176.6(5) . . . . ?
