#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:21:32 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281460 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/59/7245960.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_7245960
loop_
_publ_author_name
'Tang, Ping'
'Xie, Xue-Xian'
'Huang, Zi-Yuan'
'Kuang, Zhi-Yang'
'Cai, Song-Liang'
'Zhang, Wei-Guang'
'Zheng, Sheng-Run'
_publ_section_title
;
 Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl
 heterotopic ligand for visible-light-driven photocatalytic dye
 degradation
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              417
_journal_page_last               424
_journal_paper_doi               10.1039/D2CE01497A
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C24 H20 Cu N9 O'
_chemical_formula_weight         514.03
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-10-30 deposited with the CCDC.	2022-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.397(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6532(5)
_cell_length_b                   16.4768(8)
_cell_length_c                   13.9291(7)
_cell_measurement_reflns_used    3211
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.3122
_cell_measurement_theta_min      2.8130
_cell_volume                     2388.0(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0954
_diffrn_reflns_av_unetI/netI     0.0830
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            37660
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.669
_diffrn_reflns_theta_min         2.995
_exptl_absorpt_coefficient_mu    0.951
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   0.851
_exptl_transmission_factor_min   0.811
_refine_diff_density_max         0.789
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5534
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.1251
_refine_ls_R_factor_gt           0.0627
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1575
_refine_ls_wR_factor_ref         0.1822
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3367
_reflns_number_total             5534
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce01497a2.cif
_cod_data_source_block           CP2
_cod_depositor_comments
'Adding full bibliography for 7245959--7245960.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7245960
_shelx_shelxl_version_number     2016/6
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.36506(4) 0.00432(3) 0.05884(3) 0.02754(19) Uani 1 1 d . . . . .
N2 N -0.1752(3) 0.38297(18) -0.1854(2) 0.0292(7) Uani 1 1 d . . . . .
N4 N 0.0344(3) 0.12546(19) -0.1048(2) 0.0314(8) Uani 1 1 d . . . . .
C8 C -0.1733(4) 0.3052(2) -0.1400(3) 0.0279(9) Uani 1 1 d . . . . .
N8 N -0.4551(3) 0.22837(19) 0.0226(3) 0.0396(9) Uani 1 1 d . . . . .
N6 N -0.5169(3) 0.10442(17) 0.0346(2) 0.0287(7) Uani 1 1 d . . . . .
C10 C -0.2706(3) 0.2045(2) -0.0567(3) 0.0247(8) Uani 1 1 d . . . . .
N7 N -0.5398(3) 0.18038(18) 0.0533(3) 0.0401(9) Uani 1 1 d . . . . .
N5 N -0.4167(3) 0.10049(17) -0.0090(2) 0.0238(7) Uani 1 1 d . . . . .
C13 C -0.0729(4) 0.2544(2) -0.1439(3) 0.0327(9) Uani 1 1 d . . . . .
H13A H -0.006736 0.271136 -0.173352 0.039 Uiso 1 1 calc R U . . .
C9 C -0.2723(4) 0.2817(2) -0.0958(3) 0.0284(9) Uani 1 1 d . . . . .
H9A H -0.338838 0.317340 -0.092370 0.034 Uiso 1 1 calc R U . . .
N3 N 0.2043(3) 0.0483(2) -0.0402(2) 0.0322(8) Uani 1 1 d . . . . .
N1 N -0.1566(3) 0.47092(19) -0.3035(2) 0.0309(8) Uani 1 1 d . . . . .
C19 C 0.1016(4) 0.1141(2) -0.1791(3) 0.0319(9) Uani 1 1 d . . . . .
C21 C -0.3797(4) 0.1769(2) -0.0144(3) 0.0261(8) Uani 1 1 d . . . . .
C1 C -0.1640(4) 0.5144(2) -0.2190(3) 0.0317(9) Uani 1 1 d . . . . .
C12 C -0.0714(4) 0.1774(2) -0.1033(3) 0.0293(9) Uani 1 1 d . . . . .
C6 C -0.1763(4) 0.4598(2) -0.1449(3) 0.0343(10) Uani 1 1 d . . . . .
C20 C 0.1019(4) 0.0846(2) -0.0245(3) 0.0313(9) Uani 1 1 d . . . . .
H20A H 0.077088 0.082884 0.035536 0.038 Uiso 1 1 calc R U . . .
C14 C 0.2066(4) 0.0655(2) -0.1378(3) 0.0319(9) Uani 1 1 d . . . . .
C15 C 0.2966(4) 0.0426(3) -0.1921(3) 0.0462(12) Uani 1 1 d . . . . .
H15A H 0.367349 0.010769 -0.164803 0.055 Uiso 1 1 calc R U . . .
C18 C 0.0789(5) 0.1385(3) -0.2762(3) 0.0502(13) Uani 1 1 d . . . . .
H18A H 0.006063 0.167907 -0.304948 0.060 Uiso 1 1 calc R U . . .
C11 C -0.1697(3) 0.1523(2) -0.0598(3) 0.0275(9) Uani 1 1 d . . . . .
H11A H -0.168080 0.100600 -0.032741 0.033 Uiso 1 1 calc R U . . .
C2 C -0.1581(5) 0.5974(3) -0.2006(3) 0.0578(14) Uani 1 1 d . . . . .
H2A H -0.150673 0.634665 -0.249286 0.069 Uiso 1 1 calc R U . . .
C4 C -0.1766(8) 0.5673(4) -0.0363(4) 0.112(3) Uani 1 1 d . . . . .
H4A H -0.180713 0.587141 0.025456 0.134 Uiso 1 1 calc R U . . .
C5 C -0.1838(7) 0.4848(3) -0.0514(4) 0.074(2) Uani 1 1 d . . . . .
H5A H -0.193131 0.448468 -0.002337 0.089 Uiso 1 1 calc R U . . .
C17 C 0.1701(5) 0.1167(3) -0.3280(3) 0.0576(14) Uani 1 1 d . . . . .
H17A H 0.160500 0.134524 -0.392509 0.069 Uiso 1 1 calc R U . . .
C7 C -0.1632(4) 0.3945(2) -0.2796(3) 0.0339(10) Uani 1 1 d . . . . .
H7A H -0.159874 0.352028 -0.323043 0.041 Uiso 1 1 calc R U . . .
C16 C 0.2764(5) 0.0690(3) -0.2874(3) 0.0573(14) Uani 1 1 d . . . . .
H16A H 0.334573 0.054917 -0.325743 0.069 Uiso 1 1 calc R U . . .
C3 C -0.1635(7) 0.6217(3) -0.1082(4) 0.095(2) Uani 1 1 d . . . . .
H3A H -0.158246 0.676794 -0.093292 0.114 Uiso 1 1 calc R U . . .
N9 N -0.0878(8) 0.1467(8) 0.2806(10) 0.229(7) Uani 1 1 d . . . . .
C23 C -0.1796(12) 0.1633(8) 0.3198(11) 0.267(7) Uani 1 1 d . U . . .
H23A H -0.183626 0.220928 0.328597 0.401 Uiso 1 1 calc R U . . .
H23B H -0.258297 0.144789 0.278341 0.401 Uiso 1 1 calc R U . . .
H23C H -0.167351 0.136843 0.382511 0.401 Uiso 1 1 calc R U . . .
C24 C -0.0256(9) 0.0961(7) 0.2491(8) 0.153(4) Uani 1 1 d . . . . .
H24 H -0.020656 0.044107 0.275800 0.184 Uiso 1 1 calc R U . . .
O1 O 0.0345(6) 0.1112(8) 0.1796(5) 0.238(6) Uani 1 1 d . . . . .
C22 C -0.0728(16) 0.2219(12) 0.2169(12) 0.309(10) Uani 1 1 d . U . . .
H22A H -0.119382 0.266771 0.236003 0.463 Uiso 1 1 calc R U . . .
H22B H 0.016515 0.235821 0.226354 0.463 Uiso 1 1 calc R U . . .
H22C H -0.106226 0.209486 0.148842 0.463 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 0.0033 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'
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
N5 Cu1 N1 127.21(12) 3 4_666 ?
N5 Cu1 N3 108.73(12) 3 . ?
N1 Cu1 N3 108.22(13) 4_666 . ?
N5 Cu1 N6 113.48(11) 3 1_655 ?
N1 Cu1 N6 100.64(12) 4_666 1_655 ?
N3 Cu1 N6 93.12(12) . 1_655 ?
C7 N2 C6 106.0(3) . . ?
C7 N2 C8 123.9(3) . . ?
C6 N2 C8 129.8(3) . . ?
C20 N4 C19 106.1(3) . . ?
C20 N4 C12 124.4(3) . . ?
C19 N4 C12 128.9(3) . . ?
C13 C8 C9 121.5(3) . . ?
C13 C8 N2 117.9(3) . . ?
C9 C8 N2 120.6(3) . . ?
N7 N8 C21 104.4(3) . . ?
N7 N6 N5 109.7(3) . . ?
N7 N6 Cu1 124.2(2) . 1_455 ?
N5 N6 Cu1 125.9(2) . 1_455 ?
C9 C10 C11 120.3(3) . . ?
C9 C10 C21 119.6(3) . . ?
C11 C10 C21 120.1(3) . . ?
N6 N7 N8 109.5(3) . . ?
C21 N5 N6 104.8(3) . . ?
C21 N5 Cu1 134.3(2) . 3 ?
N6 N5 Cu1 120.6(2) . 3 ?
C8 C13 C12 118.9(3) . . ?
C8 C13 H13A 120.5 . . ?
C12 C13 H13A 120.5 . . ?
C10 C9 C8 119.1(3) . . ?
C10 C9 H9A 120.5 . . ?
C8 C9 H9A 120.5 . . ?
C20 N3 C14 105.2(3) . . ?
C20 N3 Cu1 130.3(3) . . ?
C14 N3 Cu1 122.1(2) . . ?
C7 N1 C1 105.3(3) . . ?
C7 N1 Cu1 117.3(3) . 4_565 ?
C1 N1 Cu1 137.4(3) . 4_565 ?
C18 C19 N4 132.8(4) . . ?
C18 C19 C14 121.8(4) . . ?
N4 C19 C14 105.3(3) . . ?
N5 C21 N8 111.6(3) . . ?
N5 C21 C10 125.6(3) . . ?
N8 C21 C10 122.8(3) . . ?
C2 C1 C6 120.4(4) . . ?
C2 C1 N1 130.6(4) . . ?
C6 C1 N1 109.0(3) . . ?
C11 C12 C13 120.7(3) . . ?
C11 C12 N4 120.3(3) . . ?
C13 C12 N4 119.0(3) . . ?
C5 C6 N2 131.4(4) . . ?
C5 C6 C1 122.5(4) . . ?
N2 C6 C1 106.1(3) . . ?
N3 C20 N4 113.6(3) . . ?
N3 C20 H20A 123.2 . . ?
N4 C20 H20A 123.2 . . ?
N3 C14 C15 129.2(4) . . ?
N3 C14 C19 109.8(3) . . ?
C15 C14 C19 121.0(4) . . ?
C16 C15 C14 117.2(4) . . ?
C16 C15 H15A 121.4 . . ?
C14 C15 H15A 121.4 . . ?
C19 C18 C17 116.3(4) . . ?
C19 C18 H18A 121.9 . . ?
C17 C18 H18A 121.9 . . ?
C12 C11 C10 119.6(3) . . ?
C12 C11 H11A 120.2 . . ?
C10 C11 H11A 120.2 . . ?
C3 C2 C1 117.0(4) . . ?
C3 C2 H2A 121.5 . . ?
C1 C2 H2A 121.5 . . ?
C5 C4 C3 123.0(5) . . ?
C5 C4 H4A 118.5 . . ?
C3 C4 H4A 118.5 . . ?
C4 C5 C6 115.2(4) . . ?
C4 C5 H5A 122.4 . . ?
C6 C5 H5A 122.4 . . ?
C18 C17 C16 122.5(4) . . ?
C18 C17 H17A 118.7 . . ?
C16 C17 H17A 118.7 . . ?
N1 C7 N2 113.6(3) . . ?
N1 C7 H7A 123.2 . . ?
N2 C7 H7A 123.2 . . ?
C15 C16 C17 121.1(4) . . ?
C15 C16 H16A 119.4 . . ?
C17 C16 H16A 119.4 . . ?
C2 C3 C4 122.0(5) . . ?
C2 C3 H3A 119.0 . . ?
C4 C3 H3A 119.0 . . ?
C24 N9 C23 148.6(15) . . ?
C24 N9 C22 102.3(12) . . ?
C23 N9 C22 105.2(14) . . ?
N9 C23 H23A 109.5 . . ?
N9 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N9 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N9 C24 O1 122.5(13) . . ?
N9 C24 H24 118.8 . . ?
O1 C24 H24 118.8 . . ?
N9 C22 H22A 109.5 . . ?
N9 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N9 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
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
Cu1 N5 1.983(3) 3 ?
Cu1 N1 2.021(3) 4_666 ?
Cu1 N3 2.085(3) . ?
Cu1 N6 2.144(3) 1_655 ?
N2 C7 1.359(5) . ?
N2 C6 1.387(5) . ?
N2 C8 1.427(4) . ?
N4 C20 1.370(5) . ?
N4 C19 1.392(4) . ?
N4 C12 1.419(4) . ?
C8 C13 1.370(5) . ?
C8 C9 1.385(5) . ?
N8 N7 1.336(4) . ?
N8 C21 1.345(5) . ?
N6 N7 1.312(4) . ?
N6 N5 1.338(4) . ?
C10 C9 1.382(5) . ?
C10 C11 1.385(5) . ?
C10 C21 1.484(5) . ?
N5 C21 1.326(4) . ?
C13 C12 1.386(5) . ?
C13 H13A 0.9300 . ?
C9 H9A 0.9300 . ?
N3 C20 1.303(4) . ?
N3 C14 1.394(4) . ?
N1 C7 1.308(5) . ?
N1 C1 1.395(5) . ?
C19 C18 1.381(5) . ?
C19 C14 1.396(5) . ?
C1 C2 1.391(5) . ?
C1 C6 1.396(5) . ?
C12 C11 1.381(5) . ?
C6 C5 1.385(6) . ?
C20 H20A 0.9300 . ?
C14 C15 1.395(5) . ?
C15 C16 1.369(6) . ?
C15 H15A 0.9300 . ?
C18 C17 1.376(6) . ?
C18 H18A 0.9300 . ?
C11 H11A 0.9300 . ?
C2 C3 1.361(6) . ?
C2 H2A 0.9300 . ?
C4 C5 1.374(7) . ?
C4 C3 1.374(7) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C17 C16 1.394(6) . ?
C17 H17A 0.9300 . ?
C7 H7A 0.9300 . ?
C16 H16A 0.9300 . ?
C3 H3A 0.9300 . ?
N9 C24 1.205(11) . ?
N9 C23 1.248(11) . ?
N9 C22 1.55(2) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 O1 1.296(11) . ?
C24 H24 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
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
C7 N2 C8 C13 52.0(5) . . . . ?
C6 N2 C8 C13 -121.0(4) . . . . ?
C7 N2 C8 C9 -126.3(4) . . . . ?
C6 N2 C8 C9 60.7(6) . . . . ?
N5 N6 N7 N8 -0.1(5) . . . . ?
Cu1 N6 N7 N8 -174.9(3) 1_455 . . . ?
C21 N8 N7 N6 -0.6(5) . . . . ?
N7 N6 N5 C21 0.7(4) . . . . ?
Cu1 N6 N5 C21 175.4(2) 1_455 . . . ?
N7 N6 N5 Cu1 -174.4(3) . . . 3 ?
Cu1 N6 N5 Cu1 0.3(4) 1_455 . . 3 ?
C9 C8 C13 C12 0.6(6) . . . . ?
N2 C8 C13 C12 -177.8(4) . . . . ?
C11 C10 C9 C8 1.6(5) . . . . ?
C21 C10 C9 C8 -176.4(3) . . . . ?
C13 C8 C9 C10 -1.4(6) . . . . ?
N2 C8 C9 C10 176.8(3) . . . . ?
C20 N4 C19 C18 177.9(5) . . . . ?
C12 N4 C19 C18 -10.6(7) . . . . ?
C20 N4 C19 C14 0.5(4) . . . . ?
C12 N4 C19 C14 172.0(4) . . . . ?
N6 N5 C21 N8 -1.2(4) . . . . ?
Cu1 N5 C21 N8 173.0(3) 3 . . . ?
N6 N5 C21 C10 179.6(3) . . . . ?
Cu1 N5 C21 C10 -6.3(6) 3 . . . ?
N7 N8 C21 N5 1.1(5) . . . . ?
N7 N8 C21 C10 -179.6(3) . . . . ?
C9 C10 C21 N5 153.0(4) . . . . ?
C11 C10 C21 N5 -25.0(6) . . . . ?
C9 C10 C21 N8 -26.2(5) . . . . ?
C11 C10 C21 N8 155.8(4) . . . . ?
C7 N1 C1 C2 177.9(5) . . . . ?
Cu1 N1 C1 C2 -0.1(8) 4_565 . . . ?
C7 N1 C1 C6 -0.5(5) . . . . ?
Cu1 N1 C1 C6 -178.4(3) 4_565 . . . ?
C8 C13 C12 C11 0.2(6) . . . . ?
C8 C13 C12 N4 -178.2(4) . . . . ?
C20 N4 C12 C11 -48.1(6) . . . . ?
C19 N4 C12 C11 141.9(4) . . . . ?
C20 N4 C12 C13 130.3(4) . . . . ?
C19 N4 C12 C13 -39.8(6) . . . . ?
C7 N2 C6 C5 -178.6(6) . . . . ?
C8 N2 C6 C5 -4.6(8) . . . . ?
C7 N2 C6 C1 -0.2(4) . . . . ?
C8 N2 C6 C1 173.8(4) . . . . ?
C2 C1 C6 C5 0.4(8) . . . . ?
N1 C1 C6 C5 179.0(5) . . . . ?
C2 C1 C6 N2 -178.1(4) . . . . ?
N1 C1 C6 N2 0.4(5) . . . . ?
C14 N3 C20 N4 -0.1(5) . . . . ?
Cu1 N3 C20 N4 162.1(3) . . . . ?
C19 N4 C20 N3 -0.3(5) . . . . ?
C12 N4 C20 N3 -172.2(3) . . . . ?
C20 N3 C14 C15 178.9(4) . . . . ?
Cu1 N3 C14 C15 15.0(6) . . . . ?
C20 N3 C14 C19 0.4(4) . . . . ?
Cu1 N3 C14 C19 -163.6(3) . . . . ?
C18 C19 C14 N3 -178.3(4) . . . . ?
N4 C19 C14 N3 -0.6(4) . . . . ?
C18 C19 C14 C15 3.0(7) . . . . ?
N4 C19 C14 C15 -179.2(4) . . . . ?
N3 C14 C15 C16 -179.1(4) . . . . ?
C19 C14 C15 C16 -0.7(7) . . . . ?
N4 C19 C18 C17 178.7(4) . . . . ?
C14 C19 C18 C17 -4.2(7) . . . . ?
C13 C12 C11 C10 0.0(6) . . . . ?
N4 C12 C11 C10 178.3(3) . . . . ?
C9 C10 C11 C12 -0.9(6) . . . . ?
C21 C10 C11 C12 177.1(3) . . . . ?
C6 C1 C2 C3 0.6(8) . . . . ?
N1 C1 C2 C3 -177.6(5) . . . . ?
C3 C4 C5 C6 0.4(11) . . . . ?
N2 C6 C5 C4 177.3(6) . . . . ?
C1 C6 C5 C4 -0.9(9) . . . . ?
C19 C18 C17 C16 3.4(8) . . . . ?
C1 N1 C7 N2 0.4(5) . . . . ?
Cu1 N1 C7 N2 178.8(3) 4_565 . . . ?
C6 N2 C7 N1 -0.1(5) . . . . ?
C8 N2 C7 N1 -174.5(4) . . . . ?
C14 C15 C16 C17 0.0(8) . . . . ?
C18 C17 C16 C15 -1.4(9) . . . . ?
C1 C2 C3 C4 -1.1(10) . . . . ?
C5 C4 C3 C2 0.7(13) . . . . ?
C23 N9 C24 O1 152(2) . . . . ?
C22 N9 C24 O1 0.8(14) . . . . ?
