#------------------------------------------------------------------------------
#$Date: 2019-05-25 06:55:49 +0300 (Sat, 25 May 2019) $
#$Revision: 215522 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/28/7232826.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_7232826
loop_
_publ_author_name
'Xu, Qi-Wei'
'Wang, Qiu-Shuang'
'Li, Shan-Shan'
'Li, Xia'
_publ_section_title
;
 Cu(ii)/Ni(ii)--organic frameworks constructed from the homometallic
 clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis,
 structures and visible light-driven photocatalytic properties
;
_journal_issue                   29
_journal_name_full               'RSC Advances'
_journal_page_first              16305
_journal_paper_doi               10.1039/C9RA01496A
_journal_volume                  9
_journal_year                    2019
_chemical_formula_sum            'C19 H14 Cu2 N3 O8'
_chemical_formula_weight         539.41
_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_block_doi                 10.5517/ccdc.csd.cc1ytbdh
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-03-26 deposited with the CCDC.    2019-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                100.8070(10)
_cell_angle_beta                 98.5420(10)
_cell_angle_gamma                115.0540(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5272(4)
_cell_length_b                   10.6671(5)
_cell_length_c                   11.6450(5)
_cell_measurement_reflns_used    8980
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.401
_cell_measurement_theta_min      3.025
_cell_volume                     1017.95(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_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  0.0741
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18268
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.143
_exptl_absorpt_correction_T_max  0.7984
_exptl_absorpt_correction_T_min  0.6164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             542
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.114
_refine_diff_density_max         1.191
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         3582
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0355
_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)+(0.0527P)²+0.8831P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0966
_reflns_number_gt                2949
_reflns_number_total             3582
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9ra01496a2.cif
_cod_data_source_block           111
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7232826
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
Cu1 Cu 0.64016(5) -0.17189(4) -0.13140(4) 0.01999(14) Uani 1 1 d . . .
Cu2 Cu 0.65058(5) 0.14188(4) 0.02380(4) 0.02033(14) Uani 1 1 d . . .
O1 O 0.7028(3) -0.6584(3) 0.0358(3) 0.0337(7) Uani 1 1 d D . .
O2 O 0.5872(3) -0.0662(2) -0.0029(2) 0.0189(5) Uani 1 1 d D . .
O3 O 1.1498(3) 0.0108(3) 0.1129(3) 0.0396(7) Uani 1 1 d . . .
O4 O 1.1454(3) -0.1929(3) 0.0197(3) 0.0372(7) Uani 1 1 d . . .
O5 O 0.6400(3) -0.1321(3) 0.2334(2) 0.0252(6) Uani 1 1 d . . .
O6 O 0.5147(3) -0.6419(3) 0.1210(3) 0.0397(7) Uani 1 1 d . . .
N7 N 0.7064(3) -0.2893(3) -0.2447(3) 0.0246(7) Uani 1 1 d . A .
O8 O 0.7161(3) 0.1567(3) 0.2111(2) 0.0321(6) Uani 1 1 d . . .
N9 N 0.8226(4) -0.4028(4) -0.3279(3) 0.0405(9) Uani 1 1 d U . .
N10B N 0.6669(13) -0.4795(16) -0.3919(11) 0.040(3) Uani 0.65(3) 1 d PU A 2
O7 O 0.4987(4) 0.1382(4) 0.2716(3) 0.0551(9) Uani 1 1 d . . .
C2 C 0.8638(4) -0.3559(4) 0.0813(3) 0.0234(8) Uani 1 1 d . . .
H2A H 0.9113 -0.4063 0.0433 0.028 Uiso 1 1 calc R . .
C3 C 0.9352(4) -0.2068(4) 0.1081(3) 0.0211(7) Uani 1 1 d . . .
C4 C 0.6398(4) -0.5903(4) 0.0869(3) 0.0235(8) Uani 1 1 d . . .
C5 C 0.8408(4) -0.2988(4) -0.2371(3) 0.0290(9) Uani 1 1 d . A .
H5 H 0.9347 -0.2403 -0.1763 0.035 Uiso 1 1 calc R . .
C6 C 0.8640(4) -0.1316(4) 0.1634(3) 0.0233(8) Uani 1 1 d . . .
H6 H 0.9123 -0.0316 0.1819 0.028 Uiso 1 1 calc R . .
C7 C 1.0902(4) -0.1226(4) 0.0775(3) 0.0209(7) Uani 1 1 d . . .
C1 C 0.7208(4) -0.2064(4) 0.1909(3) 0.0214(7) Uani 1 1 d . . .
C8 C 0.7208(4) -0.4297(4) 0.1114(3) 0.0225(8) Uani 1 1 d . . .
C9 C 0.6695(4) 0.0692(4) 0.3798(3) 0.0247(8) Uani 1 1 d . . .
C10 C 0.6913(4) -0.0525(4) 0.3552(3) 0.0261(8) Uani 1 1 d . . .
C11 C 0.6073(5) -0.3938(5) -0.3455(4) 0.0529(14) Uani 1 1 d . . .
H11A H 0.5064 -0.4056 -0.3801 0.063 Uiso 0.65(3) 1 calc PR A 2
H11 H 0.4964 -0.4319 -0.3629 0.063 Uiso 0.35(3) 1 calc PR A 1
C12 C 0.6493(4) -0.3530(4) 0.1656(3) 0.0243(8) Uani 1 1 d . . .
H12 H 0.5527 -0.4017 0.1847 0.029 Uiso 1 1 calc R . .
C13 C 0.9444(6) -0.4690(5) -0.4850(5) 0.0522(13) Uani 1 1 d . . .
H13A H 0.9823 -0.3747 -0.4992 0.063 Uiso 1 1 calc R A .
H13B H 0.8379 -0.5308 -0.5381 0.063 Uiso 1 1 calc R . .
C14 C 0.7459(6) -0.0991(5) 0.4469(4) 0.0439(11) Uani 1 1 d . . .
H14 H 0.7623 -0.1797 0.4289 0.053 Uiso 1 1 calc R . .
C15 C 0.6228(4) 0.1256(4) 0.2793(3) 0.0265(8) Uani 1 1 d . . .
C16 C 0.9358(5) -0.4553(5) -0.3563(4) 0.0503(13) Uani 1 1 d . A .
H16A H 0.9037 -0.5486 -0.3411 0.060 Uiso 1 1 calc R . .
H16B H 1.0414 -0.3895 -0.3033 0.060 Uiso 1 1 calc R . .
C17 C 0.7486(6) 0.0936(5) 0.5917(4) 0.0496(12) Uani 1 1 d . . .
H17 H 0.7673 0.1427 0.6718 0.060 Uiso 1 1 calc R . .
C18 C 0.6940(5) 0.1390(4) 0.4996(3) 0.0375(10) Uani 1 1 d . . .
H18 H 0.6734 0.2172 0.5179 0.045 Uiso 1 1 calc R . .
C19 C 0.7756(6) -0.0244(5) 0.5653(4) 0.0516(12) Uani 1 1 d . . .
H19 H 0.8141 -0.0538 0.6277 0.062 Uiso 1 1 calc R . .
N10A N 0.680(3) -0.436(3) -0.416(2) 0.040(3) Uani 0.35(3) 1 d PU A 1
H2 H 0.616(5) -0.075(5) 0.064(2) 0.037(13) 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'
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'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1134/S1070328418090026 2018
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
O6 Cu1 O3 157.85(13) 2_645 2_755
O6 Cu1 O2 92.50(10) 2_645 .
O3 Cu1 O2 94.40(10) 2_755 .
O6 Cu1 N7 84.37(11) 2_645 .
O3 Cu1 N7 85.96(11) 2_755 .
O2 Cu1 N7 172.00(11) . .
O6 Cu1 O7 101.09(14) 2_645 2_655
O3 Cu1 O7 99.48(14) 2_755 2_655
O2 Cu1 O7 93.37(11) . 2_655
N7 Cu1 O7 94.45(12) . 2_655
O1 Cu2 O4 84.38(10) 1_565 2_755
O1 Cu2 O2 175.13(11) 1_565 .
O4 Cu2 O2 95.80(10) 2_755 .
O1 Cu2 O2 97.10(10) 1_565 2_655
O4 Cu2 O2 159.18(11) 2_755 2_655
O2 Cu2 O2 81.01(10) . 2_655
O1 Cu2 O8 99.63(11) 1_565 .
O4 Cu2 O8 102.03(11) 2_755 .
O2 Cu2 O8 85.11(10) . .
O2 Cu2 O8 98.20(10) 2_655 .
O1 Cu2 Cu2 137.07(8) 1_565 2_655
O4 Cu2 Cu2 133.25(8) 2_755 2_655
O2 Cu2 Cu2 40.87(7) . 2_655
O2 Cu2 Cu2 40.14(6) 2_655 2_655
O8 Cu2 Cu2 92.23(7) . 2_655
C4 O1 Cu2 126.2(2) . 1_545
Cu1 O2 Cu2 121.84(11) . .
Cu1 O2 Cu2 112.98(11) . 2_655
Cu2 O2 Cu2 98.99(10) . 2_655
Cu1 O2 H2 113(3) . .
Cu2 O2 H2 105(3) . .
Cu2 O2 H2 102(3) 2_655 .
C7 O3 Cu1 135.1(2) . 2_755
C7 O4 Cu2 133.8(2) . 2_755
C1 O5 C10 119.0(3) . .
C4 O6 Cu1 138.7(2) . 2_645
C5 N7 C11 103.2(3) . .
C5 N7 Cu1 131.9(2) . .
C11 N7 Cu1 124.5(3) . .
C15 O8 Cu2 126.4(2) . .
C5 N9 N10B 110.6(5) . .
C5 N9 N10A 106.4(9) . .
N10B N9 N10A 23.0(7) . .
C5 N9 C16 130.0(4) . .
N10B N9 C16 118.8(6) . .
N10A N9 C16 122.0(9) . .
C11 N10B N9 100.6(7) . .
C15 O7 Cu1 131.8(3) . 2_655
C3 C2 C8 119.7(3) . .
C3 C2 H2A 120.2 . .
C8 C2 H2A 120.2 . .
C6 C3 C2 120.3(3) . .
C6 C3 C7 118.2(3) . .
C2 C3 C7 121.4(3) . .
O6 C4 O1 126.7(3) . .
O6 C4 C8 115.3(3) . .
O1 C4 C8 118.0(3) . .
N9 C5 N7 110.1(3) . .
N9 C5 H5 125.0 . .
N7 C5 H5 125.0 . .
C1 C6 C3 119.4(3) . .
C1 C6 H6 120.3 . .
C3 C6 H6 120.3 . .
O3 C7 O4 126.6(3) . .
O3 C7 C3 116.4(3) . .
O4 C7 C3 117.0(3) . .
C12 C1 C6 121.0(3) . .
C12 C1 O5 119.5(3) . .
C6 C1 O5 119.1(3) . .
C12 C8 C2 119.5(3) . .
C12 C8 C4 118.5(3) . .
C2 C8 C4 122.1(3) . .
C10 C9 C18 118.2(3) . .
C10 C9 C15 120.9(3) . .
C18 C9 C15 120.8(3) . .
C14 C10 C9 121.5(4) . .
C14 C10 O5 122.4(3) . .
C9 C10 O5 115.8(3) . .
N10A C11 N10B 24.6(8) . .
N10A C11 N7 113.7(10) . .
N10B C11 N7 113.9(6) . .
N10A C11 H11A 117.7 . .
N10B C11 H11A 123.0 . .
N7 C11 H11A 123.0 . .
N10A C11 H11 123.2 . .
N10B C11 H11 117.4 . .
N7 C11 H11 123.2 . .
H11A C11 H11 22.5 . .
C1 C12 C8 120.1(3) . .
C1 C12 H12 120.0 . .
C8 C12 H12 120.0 . .
C16 C13 C13 111.8(6) . 2_744
C16 C13 H13A 109.3 . .
C13 C13 H13A 109.3 2_744 .
C16 C13 H13B 109.3 . .
C13 C13 H13B 109.3 2_744 .
H13A C13 H13B 107.9 . .
C19 C14 C10 119.1(4) . .
C19 C14 H14 120.5 . .
C10 C14 H14 120.5 . .
O7 C15 O8 126.3(3) . .
O7 C15 C9 117.7(3) . .
O8 C15 C9 116.1(3) . .
N9 C16 C13 112.3(4) . .
N9 C16 H16A 109.1 . .
C13 C16 H16A 109.1 . .
N9 C16 H16B 109.1 . .
C13 C16 H16B 109.1 . .
H16A C16 H16B 107.9 . .
C19 C17 C18 120.1(4) . .
C19 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C17 C18 C9 120.7(4) . .
C17 C18 H18 119.7 . .
C9 C18 H18 119.7 . .
C17 C19 C14 120.3(4) . .
C17 C19 H19 119.8 . .
C14 C19 H19 119.8 . .
C11 N10A N9 99.1(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O6 1.949(2) 2_645
Cu1 O3 1.955(2) 2_755
Cu1 O2 1.959(2) .
Cu1 N7 2.001(3) .
Cu1 O7 2.128(3) 2_655
Cu2 O1 1.944(2) 1_565
Cu2 O4 1.957(2) 2_755
Cu2 O2 1.984(2) .
Cu2 O2 2.014(2) 2_655
Cu2 O8 2.135(2) .
Cu2 Cu2 3.0405(8) 2_655
O1 C4 1.246(4) .
O1 Cu2 1.944(2) 1_545
O2 Cu2 2.014(2) 2_655
O2 H2 0.826(19) .
O3 C7 1.242(4) .
O3 Cu1 1.955(2) 2_755
O4 C7 1.242(4) .
O4 Cu2 1.957(2) 2_755
O5 C1 1.396(4) .
O5 C10 1.401(4) .
O6 C4 1.244(4) .
O6 Cu1 1.949(2) 2_645
N7 C5 1.318(5) .
N7 C11 1.342(5) .
O8 C15 1.260(4) .
N9 C5 1.312(5) .
N9 N10B 1.357(11) .
N9 N10A 1.43(2) .
N9 C16 1.461(5) .
N10B C11 1.340(12) .
O7 C15 1.237(5) .
O7 Cu1 2.128(3) 2_655
C2 C3 1.387(5) .
C2 C8 1.392(5) .
C2 H2A 0.9300 .
C3 C6 1.384(5) .
C3 C7 1.506(4) .
C4 C8 1.498(5) .
C5 H5 0.9300 .
C6 C1 1.380(5) .
C6 H6 0.9300 .
C1 C12 1.365(5) .
C8 C12 1.392(5) .
C9 C10 1.385(5) .
C9 C18 1.386(5) .
C9 C15 1.505(5) .
C10 C14 1.382(5) .
C11 N10A 1.29(2) .
C11 H11A 0.9300 .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C16 1.496(7) .
C13 C13 1.516(8) 2_744
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C19 1.378(6) .
C14 H14 0.9300 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C19 1.377(6) .
C17 C18 1.378(6) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 H19 0.9300 .
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
O6 Cu1 O2 Cu2 -164.00(15) 2_645 .
O3 Cu1 O2 Cu2 37.06(16) 2_755 .
N7 Cu1 O2 Cu2 129.3(7) . .
O7 Cu1 O2 Cu2 -62.73(16) 2_655 .
O6 Cu1 O2 Cu2 -46.41(14) 2_645 2_655
O3 Cu1 O2 Cu2 154.65(14) 2_755 2_655
N7 Cu1 O2 Cu2 -113.1(7) . 2_655
O7 Cu1 O2 Cu2 54.86(14) 2_655 2_655
O1 Cu2 O2 Cu1 56.8(11) 1_565 .
O4 Cu2 O2 Cu1 -34.95(16) 2_755 .
O2 Cu2 O2 Cu1 124.30(19) 2_655 .
O8 Cu2 O2 Cu1 -136.58(15) . .
Cu2 Cu2 O2 Cu1 124.30(19) 2_655 .
O1 Cu2 O2 Cu2 -67.4(11) 1_565 2_655
O4 Cu2 O2 Cu2 -159.25(12) 2_755 2_655
O2 Cu2 O2 Cu2 0.0 2_655 2_655
O8 Cu2 O2 Cu2 99.12(11) . 2_655
O6 Cu1 N7 C5 -114.9(3) 2_645 .
O3 Cu1 N7 C5 45.1(3) 2_755 .
O2 Cu1 N7 C5 -47.7(9) . .
O7 Cu1 N7 C5 144.3(3) 2_655 .
O6 Cu1 N7 C11 56.7(4) 2_645 .
O3 Cu1 N7 C11 -143.2(4) 2_755 .
O2 Cu1 N7 C11 124.0(7) . .
O7 Cu1 N7 C11 -44.0(4) 2_655 .
O1 Cu2 O8 C15 98.0(3) 1_565 .
O4 Cu2 O8 C15 -175.7(3) 2_755 .
O2 Cu2 O8 C15 -80.8(3) . .
O2 Cu2 O8 C15 -0.6(3) 2_655 .
Cu2 Cu2 O8 C15 -40.5(3) 2_655 .
C5 N9 N10B C11 11.9(13) . .
N10A N9 N10B C11 -72(3) . .
C16 N9 N10B C11 -176.3(7) . .
C8 C2 C3 C6 -0.7(5) . .
C8 C2 C3 C7 179.8(3) . .
Cu1 O6 C4 O1 5.2(7) 2_645 .
Cu1 O6 C4 C8 -174.5(3) 2_645 .
Cu2 O1 C4 O6 -13.5(6) 1_545 .
Cu2 O1 C4 C8 166.2(2) 1_545 .
N10B N9 C5 N7 -7.8(10) . .
N10A N9 C5 N7 16.1(12) . .
C16 N9 C5 N7 -178.5(4) . .
C11 N7 C5 N9 -0.1(5) . .
Cu1 N7 C5 N9 172.9(3) . .
C2 C3 C6 C1 -0.4(5) . .
C7 C3 C6 C1 179.1(3) . .
Cu1 O3 C7 O4 -15.3(6) 2_755 .
Cu1 O3 C7 C3 164.8(3) 2_755 .
Cu2 O4 C7 O3 9.7(6) 2_755 .
Cu2 O4 C7 C3 -170.4(2) 2_755 .
C6 C3 C7 O3 5.3(5) . .
C2 C3 C7 O3 -175.2(3) . .
C6 C3 C7 O4 -174.6(3) . .
C2 C3 C7 O4 4.9(5) . .
C3 C6 C1 C12 0.7(5) . .
C3 C6 C1 O5 -172.5(3) . .
C10 O5 C1 C12 107.0(4) . .
C10 O5 C1 C6 -79.7(4) . .
C3 C2 C8 C12 1.5(5) . .
C3 C2 C8 C4 -178.8(3) . .
O6 C4 C8 C12 -1.9(5) . .
O1 C4 C8 C12 178.4(3) . .
O6 C4 C8 C2 178.4(3) . .
O1 C4 C8 C2 -1.3(5) . .
C18 C9 C10 C14 -4.0(6) . .
C15 C9 C10 C14 175.0(4) . .
C18 C9 C10 O5 169.9(3) . .
C15 C9 C10 O5 -11.0(5) . .
C1 O5 C10 C14 -37.3(5) . .
C1 O5 C10 C9 148.7(3) . .
N9 N10B C11 N10A 83(3) . .
N9 N10B C11 N7 -12.4(14) . .
C5 N7 C11 N10A -18.6(15) . .
Cu1 N7 C11 N10A 167.7(14) . .
C5 N7 C11 N10B 8.3(10) . .
Cu1 N7 C11 N10B -165.4(9) . .
C6 C1 C12 C8 0.1(5) . .
O5 C1 C12 C8 173.3(3) . .
C2 C8 C12 C1 -1.2(5) . .
C4 C8 C12 C1 179.1(3) . .
C9 C10 C14 C19 1.5(6) . .
O5 C10 C14 C19 -172.1(4) . .
Cu1 O7 C15 O8 14.2(6) 2_655 .
Cu1 O7 C15 C9 -166.3(3) 2_655 .
Cu2 O8 C15 O7 -31.8(5) . .
Cu2 O8 C15 C9 148.7(2) . .
C10 C9 C15 O7 123.0(4) . .
C18 C9 C15 O7 -58.0(5) . .
C10 C9 C15 O8 -57.5(5) . .
C18 C9 C15 O8 121.5(4) . .
C5 N9 C16 C13 -131.1(5) . .
N10B N9 C16 C13 58.9(11) . .
N10A N9 C16 C13 32.3(14) . .
C13 C13 C16 N9 -177.0(5) 2_744 .
C19 C17 C18 C9 -1.7(7) . .
C10 C9 C18 C17 4.1(6) . .
C15 C9 C18 C17 -175.0(4) . .
C18 C17 C19 C14 -1.0(8) . .
C10 C14 C19 C17 1.1(7) . .
N10B C11 N10A N9 -69(3) . .
N7 C11 N10A N9 26.9(18) . .
C5 N9 N10A C11 -25.3(17) . .
N10B N9 N10A C11 79(3) . .
C16 N9 N10A C11 167.9(8) . .
