#------------------------------------------------------------------------------
#$Date: 2019-11-23 15:35:18 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233851 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/93/4349321.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_4349321
loop_
_publ_author_name
'Seth, Saona'
'Matzger, Adam J.'
_publ_section_title
;
 Coordination Polymerization of 5,5'-Dinitro-2H,2H'-3,3'-bi-1,2,4-triazole
 Leads to a Dense Explosive with High Thermal Stability.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              561
_journal_page_last               565
_journal_paper_doi               10.1021/acs.inorgchem.6b02383
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C16 H6 Cu4 N32 O19, 2(C2 H8 N)'
_chemical_formula_sum            'C20 H22 Cu4 N34 O19'
_chemical_formula_weight         1296.87
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                94.293(5)
_cell_angle_beta                 95.368(7)
_cell_angle_gamma                98.813(5)
_cell_formula_units_Z            1
_cell_length_a                   8.3638(2)
_cell_length_b                   11.3712(8)
_cell_length_c                   11.5116(2)
_cell_measurement_reflns_used    9160
_cell_measurement_temperature    85(2)
_cell_measurement_theta_max      68.20
_cell_measurement_theta_min      7.00
_cell_volume                     1072.72(8)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_diffrn_ambient_temperature      85(2)
_diffrn_detector_area_resol_mean 29.257
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku Saturn944+ CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_av_unetI/netI     0.0673
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16524
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.182
_diffrn_reflns_theta_min         6.967
_diffrn_source                   'micro-focus rotating anode'
_exptl_absorpt_coefficient_mu    3.295
_exptl_absorpt_correction_T_max  0.552
_exptl_absorpt_correction_T_min  0.445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.004
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             646
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.759
_refine_diff_density_min         -1.083
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       0.0029(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         3829
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0551
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1113P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1591
_refine_ls_wR_factor_ref         0.1733
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3034
_reflns_number_total             3829
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b02383_si_001.cif
_cod_data_source_block           Cu-DNBT
_cod_database_code               4349321
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.853
_shelx_estimated_absorpt_t_max   0.908
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Cu1 Cu 0.0000 0.5000 1.0000 0.01697(13) Uani 1 2 d S . P
Cu2 Cu 0.00689(5) 0.25433(3) 0.74713(3) 0.02058(11) Uani 1 1 d . . .
Cu3 Cu 0.0000 0.0000 0.5000 0.0424(2) Uani 1 2 d S . P
O1 O 0.3250(3) 0.1439(2) 0.77120(17) 0.0306(5) Uani 1 1 d . . .
O2 O 0.5231(3) 0.1678(2) 0.9121(2) 0.0361(5) Uani 1 1 d . . .
O3 O 0.5290(3) 0.7116(3) 1.42384(18) 0.0393(6) Uani 1 1 d . . .
O4 O 0.3209(3) 0.8041(2) 1.40779(19) 0.0401(6) Uani 1 1 d . . .
O5 O 0.1547(2) 0.49815(19) 0.67686(16) 0.0255(5) Uani 1 1 d . . .
O6 O 0.1935(2) 0.56049(18) 0.50485(16) 0.0229(4) Uani 1 1 d . . .
O7 O 0.1172(2) -0.15777(19) 0.03170(15) 0.0229(4) Uani 1 1 d . . .
O8 O 0.1988(2) 0.02186(19) -0.01467(15) 0.0254(5) Uani 1 1 d . . .
O9 O 0.2945(4) -0.0097(4) 0.5629(3) 0.0271(9) Uani 0.5 1 d D . P
H9E H 0.367(4) 0.013(6) 0.520(3) 0.05(2) Uiso 0.5 1 d D . P
H9D H 0.322(9) 0.053(2) 0.607(3) 0.035(19) Uiso 0.5 1 d D . P
O10 O 0.0488(2) 0.66178(19) 0.83985(16) 0.0243(4) Uani 1 1 d D . .
H10E H -0.013(5) 0.640(4) 0.767(3) 0.052(12) Uiso 1 1 d D . .
H10D H 0.027(5) 0.736(4) 0.859(4) 0.047(11) Uiso 1 1 d D . .
N1 N 0.1748(3) 0.4115(2) 0.95951(17) 0.0178(5) Uani 1 1 d . . .
N2 N 0.1887(3) 0.3177(2) 0.88150(18) 0.0192(5) Uani 1 1 d . . .
N3 N 0.4087(3) 0.3529(2) 1.01841(19) 0.0208(5) Uani 1 1 d . . .
N4 N 0.1690(3) 0.5724(2) 1.12642(18) 0.0191(5) Uani 1 1 d . . .
N5 N 0.1832(3) 0.6558(2) 1.21934(17) 0.0189(5) Uani 1 1 d . . .
N6 N 0.4127(3) 0.5701(2) 1.22260(18) 0.0217(5) Uani 1 1 d . . .
N7 N 0.3970(3) 0.1935(2) 0.8641(2) 0.0238(5) Uani 1 1 d . . .
N8 N 0.3987(3) 0.7265(3) 1.37538(19) 0.0279(6) Uani 1 1 d . . .
N9 N 0.0757(3) 0.2700(2) 0.58096(18) 0.0187(5) Uani 1 1 d . . .
N10 N 0.0598(3) 0.1729(2) 0.50228(18) 0.0227(5) Uani 1 1 d . . .
N11 N 0.1452(3) 0.3312(2) 0.40530(18) 0.0180(5) Uani 1 1 d . . .
N12 N 0.0518(3) 0.0065(2) 0.33851(19) 0.0226(5) Uani 1 1 d . . .
N13 N 0.0629(3) -0.0717(2) 0.24675(18) 0.0203(5) Uani 1 1 d . . .
N14 N 0.1429(3) 0.1177(2) 0.19806(18) 0.0195(5) Uani 1 1 d . . .
N15 N 0.1612(3) 0.4808(2) 0.57007(18) 0.0187(5) Uani 1 1 d . . .
N16 N 0.1474(3) -0.0489(2) 0.05399(18) 0.0189(5) Uani 1 1 d . . .
N17 N 0.3857(3) 0.7314(2) 0.8003(2) 0.0263(6) Uani 1 1 d D . .
H17A H 0.439(4) 0.713(3) 0.871(2) 0.043(10) Uiso 1 1 d D . .
H17B H 0.277(3) 0.693(4) 0.791(5) 0.072(15) Uiso 1 1 d D . .
C1 C 0.3288(3) 0.2889(3) 0.9212(2) 0.0186(6) Uani 1 1 d . . .
C2 C 0.3053(3) 0.4286(3) 1.0392(2) 0.0190(6) Uani 1 1 d . . .
C3 C 0.3046(3) 0.5231(3) 1.1318(2) 0.0211(6) Uani 1 1 d . . .
C4 C 0.3293(3) 0.6484(3) 1.2717(2) 0.0201(6) Uani 1 1 d . . .
C5 C 0.1029(3) 0.2127(2) 0.3997(2) 0.0177(6) Uani 1 1 d . . .
C6 C 0.1265(3) 0.3589(2) 0.5189(2) 0.0167(6) Uani 1 1 d . . .
C7 C 0.0992(3) 0.1174(3) 0.3075(2) 0.0191(6) Uani 1 1 d . . .
C8 C 0.1173(3) -0.0004(2) 0.1675(2) 0.0170(6) Uani 1 1 d . . .
C9 C 0.4758(4) 0.6895(3) 0.7046(2) 0.0281(7) Uani 1 1 d . . .
H9A H 0.4320 0.7150 0.6303 0.042 Uiso 1 1 calc R U .
H9B H 0.4637 0.6022 0.6991 0.042 Uiso 1 1 calc R U .
H9C H 0.5913 0.7238 0.7211 0.042 Uiso 1 1 calc R U .
C10 C 0.3882(5) 0.8609(4) 0.8084(4) 0.0469(9) Uani 1 1 d . . .
H10A H 0.5011 0.9020 0.8183 0.070 Uiso 1 1 calc R U .
H10B H 0.3331 0.8847 0.8758 0.070 Uiso 1 1 calc R U .
H10C H 0.3319 0.8828 0.7366 0.070 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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
N4 Cu1 N4 180.0 2_567 .
N4 Cu1 N1 98.82(9) 2_567 .
N4 Cu1 N1 81.18(9) . .
N4 Cu1 N1 81.18(9) 2_567 2_567
N4 Cu1 N1 98.82(9) . 2_567
N1 Cu1 N1 180.00(11) . 2_567
N4 Cu1 O10 79.87(8) 2_567 .
N4 Cu1 O10 100.13(8) . .
N1 Cu1 O10 95.90(8) . .
N1 Cu1 O10 84.10(8) 2_567 .
N9 Cu2 N5 113.26(9) . 2_567
N9 Cu2 N2 114.79(9) . .
N5 Cu2 N2 105.06(9) 2_567 .
N9 Cu2 N13 104.17(9) . 2_556
N5 Cu2 N13 110.36(9) 2_567 2_556
N2 Cu2 N13 109.23(9) . 2_556
N10 Cu3 N10 180.0 . 2_556
N10 Cu3 N12 98.11(9) . 2_556
N10 Cu3 N12 81.89(9) 2_556 2_556
N10 Cu3 N12 81.89(9) . .
N10 Cu3 N12 98.11(9) 2_556 .
N12 Cu3 N12 180.0 2_556 .
H9E O9 H9D 90(6) . .
Cu1 O10 H10E 115(3) . .
Cu1 O10 H10D 117(3) . .
H10E O10 H10D 102(4) . .
C2 N1 N2 107.8(2) . .
C2 N1 Cu1 114.55(17) . .
N2 N1 Cu1 136.16(17) . .
C1 N2 N1 102.2(2) . .
C1 N2 Cu2 136.67(19) . .
N1 N2 Cu2 121.07(17) . .
C2 N3 C1 100.1(2) . .
C3 N4 N5 107.9(2) . .
C3 N4 Cu1 114.81(17) . .
N5 N4 Cu1 137.05(17) . .
C4 N5 N4 101.8(2) . .
C4 N5 Cu2 136.91(18) . 2_567
N4 N5 Cu2 121.09(16) . 2_567
C4 N6 C3 99.6(2) . .
O1 N7 O2 124.7(2) . .
O1 N7 C1 117.8(2) . .
O2 N7 C1 117.5(2) . .
O3 N8 O4 124.6(2) . .
O3 N8 C4 118.4(3) . .
O4 N8 C4 117.0(2) . .
C6 N9 N10 102.8(2) . .
C6 N9 Cu2 135.99(18) . .
N10 N9 Cu2 120.98(18) . .
N9 N10 C5 107.1(2) . .
N9 N10 Cu3 137.75(18) . .
C5 N10 Cu3 115.15(17) . .
C5 N11 C6 99.3(2) . .
C7 N12 N13 107.7(2) . .
C7 N12 Cu3 114.77(17) . .
N13 N12 Cu3 137.36(19) . .
C8 N13 N12 102.6(2) . .
C8 N13 Cu2 136.17(17) . 2_556
N12 N13 Cu2 121.19(17) . 2_556
C8 N14 C7 99.4(2) . .
O6 N15 O5 124.5(2) . .
O6 N15 C6 118.1(2) . .
O5 N15 C6 117.3(2) . .
O7 N16 O8 124.6(2) . .
O7 N16 C8 117.8(2) . .
O8 N16 C8 117.6(2) . .
C10 N17 C9 112.7(3) . .
C10 N17 H17A 107(2) . .
C9 N17 H17A 107(2) . .
C10 N17 H17B 108(3) . .
C9 N17 H17B 112(3) . .
H17A N17 H17B 110(4) . .
N2 C1 N3 117.2(2) . .
N2 C1 N7 122.3(2) . .
N3 C1 N7 120.5(2) . .
N3 C2 N1 112.6(2) . .
N3 C2 C3 133.0(2) . .
N1 C2 C3 114.3(2) . .
N6 C3 N4 113.1(2) . .
N6 C3 C2 132.6(3) . .
N4 C3 C2 114.3(2) . .
N5 C4 N6 117.6(2) . .
N5 C4 N8 121.0(3) . .
N6 C4 N8 121.3(2) . .
N11 C5 N10 113.3(2) . .
N11 C5 C7 133.2(2) . .
N10 C5 C7 113.5(2) . .
N9 C6 N11 117.5(2) . .
N9 C6 N15 121.5(2) . .
N11 C6 N15 121.0(2) . .
N14 C7 N12 113.0(2) . .
N14 C7 C5 132.2(3) . .
N12 C7 C5 114.7(2) . .
N13 C8 N14 117.3(2) . .
N13 C8 N16 121.0(2) . .
N14 C8 N16 121.7(2) . .
N17 C9 H9A 109.5 . .
N17 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N17 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N17 C10 H10A 109.5 . .
N17 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N17 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N4 1.968(2) 2_567
Cu1 N4 1.968(2) .
Cu1 N1 1.968(2) .
Cu1 N1 1.968(2) 2_567
Cu1 O10 2.714(2) .
Cu2 N9 2.061(2) .
Cu2 N5 2.068(2) 2_567
Cu2 N2 2.069(2) .
Cu2 N13 2.078(2) 2_556
Cu3 N10 1.950(3) .
Cu3 N10 1.950(3) 2_556
Cu3 N12 1.952(2) 2_556
Cu3 N12 1.952(2) .
O1 N7 1.228(3) .
O2 N7 1.231(3) .
O3 N8 1.218(3) .
O4 N8 1.230(4) .
O5 N15 1.238(3) .
O6 N15 1.234(3) .
O7 N16 1.227(3) .
O8 N16 1.229(3) .
O9 H9E 0.841(19) .
O9 H9D 0.833(18) .
O10 H10E 0.94(4) .
O10 H10D 0.91(4) .
N1 C2 1.339(3) .
N1 N2 1.368(3) .
N2 C1 1.314(4) .
N3 C2 1.335(4) .
N3 C1 1.348(3) .
N4 C3 1.338(4) .
N4 N5 1.359(3) .
N5 C4 1.328(4) .
N5 Cu2 2.068(2) 2_567
N6 C4 1.337(4) .
N6 C3 1.337(3) .
N7 C1 1.445(4) .
N8 C4 1.451(3) .
N9 C6 1.321(4) .
N9 N10 1.357(3) .
N10 C5 1.357(3) .
N11 C5 1.335(4) .
N11 C6 1.351(3) .
N12 C7 1.347(4) .
N12 N13 1.349(3) .
N13 C8 1.331(4) .
N13 Cu2 2.078(2) 2_556
N14 C8 1.342(4) .
N14 C7 1.344(3) .
N15 C6 1.440(4) .
N16 C8 1.439(3) .
N17 C10 1.466(5) .
N17 C9 1.481(4) .
N17 H17A 0.94(2) .
N17 H17B 0.94(2) .
C2 C3 1.457(4) .
C5 C7 1.454(4) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
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
O9 H9D O1 0.833(18) 2.08(3) 2.826(4) 149(5) .
O10 H10E N11 0.94(4) 2.25(4) 3.133(3) 157(4) 2_566
O10 H10D O7 0.91(4) 2.25(4) 2.853(3) 124(3) 1_566
O10 H10D N14 0.91(4) 2.43(4) 3.211(3) 144(3) 2_566
N17 H17A O2 0.94(2) 2.71(3) 3.399(3) 130(3) 2_667
N17 H17A N3 0.94(2) 1.99(3) 2.892(3) 160(3) 2_667
N17 H17B O5 0.94(2) 2.52(4) 3.184(3) 128(4) .
N17 H17B O10 0.94(2) 2.02(3) 2.896(3) 154(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
C2 N1 N2 C1 -1.1(3) . .
Cu1 N1 N2 C1 -165.9(2) . .
C2 N1 N2 Cu2 176.90(18) . .
Cu1 N1 N2 Cu2 12.1(3) . .
C3 N4 N5 C4 0.4(3) . .
Cu1 N4 N5 C4 174.0(2) . .
C3 N4 N5 Cu2 -175.30(18) . 2_567
Cu1 N4 N5 Cu2 -1.7(4) . 2_567
C6 N9 N10 C5 0.1(3) . .
Cu2 N9 N10 C5 175.39(17) . .
C6 N9 N10 Cu3 178.0(2) . .
Cu2 N9 N10 Cu3 -6.7(4) . .
C7 N12 N13 C8 0.2(3) . .
Cu3 N12 N13 C8 -175.1(2) . .
C7 N12 N13 Cu2 -177.65(18) . 2_556
Cu3 N12 N13 Cu2 7.0(4) . 2_556
N1 N2 C1 N3 0.8(3) . .
Cu2 N2 C1 N3 -176.7(2) . .
N1 N2 C1 N7 -178.9(2) . .
Cu2 N2 C1 N7 3.6(5) . .
C2 N3 C1 N2 -0.1(3) . .
C2 N3 C1 N7 179.5(3) . .
O1 N7 C1 N2 4.8(4) . .
O2 N7 C1 N2 -175.1(3) . .
O1 N7 C1 N3 -174.8(3) . .
O2 N7 C1 N3 5.2(4) . .
C1 N3 C2 N1 -0.7(3) . .
C1 N3 C2 C3 177.7(3) . .
N2 N1 C2 N3 1.2(3) . .
Cu1 N1 C2 N3 169.67(19) . .
N2 N1 C2 C3 -177.5(2) . .
Cu1 N1 C2 C3 -9.0(3) . .
C4 N6 C3 N4 1.5(3) . .
C4 N6 C3 C2 -177.8(3) . .
N5 N4 C3 N6 -1.3(3) . .
Cu1 N4 C3 N6 -176.48(19) . .
N5 N4 C3 C2 178.2(2) . .
Cu1 N4 C3 C2 3.0(3) . .
N3 C2 C3 N6 4.9(6) . .
N1 C2 C3 N6 -176.7(3) . .
N3 C2 C3 N4 -174.4(3) . .
N1 C2 C3 N4 4.0(4) . .
N4 N5 C4 N6 0.7(3) . .
Cu2 N5 C4 N6 175.2(2) 2_567 .
N4 N5 C4 N8 177.7(2) . .
Cu2 N5 C4 N8 -7.7(4) 2_567 .
C3 N6 C4 N5 -1.3(3) . .
C3 N6 C4 N8 -178.4(3) . .
O3 N8 C4 N5 176.0(3) . .
O4 N8 C4 N5 -4.3(4) . .
O3 N8 C4 N6 -7.0(4) . .
O4 N8 C4 N6 172.7(3) . .
C6 N11 C5 N10 0.8(3) . .
C6 N11 C5 C7 -176.5(3) . .
N9 N10 C5 N11 -0.6(3) . .
Cu3 N10 C5 N11 -179.08(18) . .
N9 N10 C5 C7 177.3(2) . .
Cu3 N10 C5 C7 -1.2(3) . .
N10 N9 C6 N11 0.5(3) . .
Cu2 N9 C6 N11 -173.71(19) . .
N10 N9 C6 N15 -179.3(2) . .
Cu2 N9 C6 N15 6.5(4) . .
C5 N11 C6 N9 -0.8(3) . .
C5 N11 C6 N15 179.0(2) . .
O6 N15 C6 N9 -173.4(2) . .
O5 N15 C6 N9 5.9(4) . .
O6 N15 C6 N11 6.8(4) . .
O5 N15 C6 N11 -173.9(2) . .
C8 N14 C7 N12 0.1(3) . .
C8 N14 C7 C5 175.9(3) . .
N13 N12 C7 N14 -0.2(3) . .
Cu3 N12 C7 N14 176.31(18) . .
N13 N12 C7 C5 -176.8(2) . .
Cu3 N12 C7 C5 -0.2(3) . .
N11 C5 C7 N14 2.6(5) . .
N10 C5 C7 N14 -174.8(3) . .
N11 C5 C7 N12 178.3(3) . .
N10 C5 C7 N12 0.9(3) . .
N12 N13 C8 N14 -0.1(3) . .
Cu2 N13 C8 N14 177.20(19) 2_556 .
N12 N13 C8 N16 179.7(2) . .
Cu2 N13 C8 N16 -2.9(4) 2_556 .
C7 N14 C8 N13 0.0(3) . .
C7 N14 C8 N16 -179.9(2) . .
O7 N16 C8 N13 1.9(4) . .
O8 N16 C8 N13 -179.4(2) . .
O7 N16 C8 N14 -178.2(2) . .
O8 N16 C8 N14 0.4(4) . .
