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#$Date: 2022-06-27 12:30:29 +0300 (Mon, 27 Jun 2022) $
#$Revision: 276288 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/55/8105536.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_8105536
loop_
_publ_author_name
'Gu, Jin-Feng'
'Feng, Rui'
'Nie, Feng-Mei'
_publ_section_title
;
 Crystal structure of (bis((1H-benzo[d]imidazol2-yl)methyl)amine-κ3
 N,N′,N′′)-(pyridine-2,6-dicarboxylato-κ3
 N,O,O′)zinc(II) --- methanol --- water (1/2/1), C25H28N6O7Zn
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              43
_journal_page_last               45
_journal_paper_doi               10.1515/ncrs-2018-0122
_journal_volume                  234
_journal_year                    2018
_chemical_formula_sum            'C25 H28 N6 O7 Zn'
_chemical_formula_weight         589.90
_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
_cell_angle_alpha                95.006(2)
_cell_angle_beta                 101.828(3)
_cell_angle_gamma                102.050(4)
_cell_formula_units_Z            2
_cell_length_a                   7.8073(19)
_cell_length_b                   11.350(3)
_cell_length_c                   15.515(4)
_cell_measurement_reflns_used    5337
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      31.487
_cell_measurement_theta_min      2.438
_cell_volume                     1303.8(6)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  AFC10/Saturn724+
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19781
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.495
_diffrn_reflns_theta_min         2.765
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    0.999
_exptl_absorpt_correction_T_max  0.9707
_exptl_absorpt_correction_T_min  0.7277
_exptl_absorpt_correction_type   Multi-scans
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.899
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         8528
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0638P)²+0.1760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1153
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7238
_reflns_number_total             8528
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2018-0122_suppl.cif
_cod_data_source_block           BO3377
_cod_original_cell_volume        1303.8(5)
_cod_database_code               8105536
_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   0.728
_shelx_estimated_absorpt_t_max   0.971
_shelxl_version_number           2014-3
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.30849(3) 0.26364(2) 0.70831(2) 0.01560(7) Uani 1 1 d . . . . .
O1 O 0.52503(17) 0.18112(11) 0.78450(8) 0.0190(2) Uani 1 1 d . . . . .
O2 O 0.82162(17) 0.19468(12) 0.81047(9) 0.0219(3) Uani 1 1 d . . . . .
O3 O 0.22693(17) 0.40051(11) 0.62831(9) 0.0196(2) Uani 1 1 d . . . . .
O4 O 0.34267(19) 0.56990(13) 0.57489(10) 0.0279(3) Uani 1 1 d . . . . .
N1 N 0.1165(2) 0.10698(14) 0.75129(10) 0.0180(3) Uani 1 1 d . . . . .
N2 N 0.2511(2) 0.12567(13) 0.60457(10) 0.0168(3) Uani 1 1 d . . . . .
N3 N 0.1716(2) -0.07199(13) 0.55222(10) 0.0176(3) Uani 1 1 d . . . . .
H3N H 0.1270 -0.1505 0.5492 0.021 Uiso 1 1 calc R U . . .
N4 N 0.2656(2) 0.33909(14) 0.82568(10) 0.0184(3) Uani 1 1 d . . . . .
N5 N 0.2008(2) 0.31179(16) 0.95660(10) 0.0251(3) Uani 1 1 d . . . . .
H5N H 0.1687 0.2742 1.0001 0.030 Uiso 1 1 calc R U . . .
N6 N 0.54825(19) 0.36949(12) 0.69652(9) 0.0150(3) Uani 1 1 d . . . . .
C1 C 0.1277(3) -0.00907(16) 0.70501(12) 0.0214(3) Uani 1 1 d . . . . .
H1A H 0.0097 -0.0680 0.6927 0.026 Uiso 1 1 calc R U . . .
H1B H 0.2180 -0.0438 0.7425 0.026 Uiso 1 1 calc R U . . .
C2 C 0.1810(2) 0.01511(15) 0.61936(11) 0.0172(3) Uani 1 1 d . . . . .
C3 C 0.2459(2) -0.01380(15) 0.48887(11) 0.0170(3) Uani 1 1 d . . . . .
C4 C 0.2779(3) -0.05803(16) 0.40862(12) 0.0207(3) Uani 1 1 d . . . . .
H4 H 0.2447 -0.1424 0.3867 0.025 Uiso 1 1 calc R U . . .
C5 C 0.3610(3) 0.02748(17) 0.36202(12) 0.0222(3) Uani 1 1 d . . . . .
H5 H 0.3843 0.0011 0.3066 0.027 Uiso 1 1 calc R U . . .
C6 C 0.4114(3) 0.15210(17) 0.39513(12) 0.0222(3) Uani 1 1 d . . . . .
H6 H 0.4676 0.2078 0.3614 0.027 Uiso 1 1 calc R U . . .
C7 C 0.3812(3) 0.19585(16) 0.47546(12) 0.0202(3) Uani 1 1 d . . . . .
H7 H 0.4173 0.2800 0.4979 0.024 Uiso 1 1 calc R U . . .
C8 C 0.2954(2) 0.11088(15) 0.52216(11) 0.0165(3) Uani 1 1 d . . . . .
C9 C 0.1750(2) 0.12487(16) 0.84917(12) 0.0202(3) Uani 1 1 d . . . . .
H9A H 0.2841 0.0935 0.8681 0.024 Uiso 1 1 calc R U . . .
H9B H 0.0788 0.0816 0.8756 0.024 Uiso 1 1 calc R U . . .
C10 C 0.2143(2) 0.25907(17) 0.87791(11) 0.0196(3) Uani 1 1 d . . . . .
C11 C 0.2467(3) 0.43668(19) 0.95630(13) 0.0262(4) Uani 1 1 d . . . . .
C12 C 0.2537(4) 0.5346(2) 1.01862(15) 0.0397(5) Uani 1 1 d . . . . .
H12 H 0.2256 0.5231 1.0745 0.048 Uiso 1 1 calc R U . . .
C13 C 0.3033(4) 0.6490(2) 0.99528(16) 0.0473(7) Uani 1 1 d . . . . .
H13 H 0.3095 0.7179 1.0362 0.057 Uiso 1 1 calc R U . . .
C14 C 0.3451(4) 0.6666(2) 0.91271(16) 0.0406(6) Uani 1 1 d . . . . .
H14 H 0.3787 0.7470 0.8991 0.049 Uiso 1 1 calc R U . . .
C15 C 0.3382(3) 0.56926(19) 0.85087(14) 0.0299(4) Uani 1 1 d . . . . .
H15 H 0.3666 0.5811 0.7951 0.036 Uiso 1 1 calc R U . . .
C16 C 0.2880(3) 0.45295(17) 0.87378(12) 0.0217(3) Uani 1 1 d . . . . .
C17 C 0.6822(2) 0.22941(15) 0.77952(10) 0.0158(3) Uani 1 1 d . . . . .
C18 C 0.7032(2) 0.33953(15) 0.72990(11) 0.0160(3) Uani 1 1 d . . . . .
C19 C 0.8649(2) 0.40324(16) 0.71581(12) 0.0202(3) Uani 1 1 d . . . . .
H19 H 0.9744 0.3811 0.7388 0.024 Uiso 1 1 calc R U . . .
C20 C 0.8626(3) 0.50072(17) 0.66702(13) 0.0235(4) Uani 1 1 d . . . . .
H20 H 0.9715 0.5457 0.6563 0.028 Uiso 1 1 calc R U . . .
C21 C 0.7020(2) 0.53187(17) 0.63428(12) 0.0217(3) Uani 1 1 d . . . . .
H21 H 0.6989 0.5989 0.6018 0.026 Uiso 1 1 calc R U . . .
C22 C 0.5447(2) 0.46243(15) 0.65014(11) 0.0171(3) Uani 1 1 d . . . . .
C23 C 0.3554(2) 0.48081(15) 0.61426(11) 0.0183(3) Uani 1 1 d . . . . .
O5 O 0.0558(2) -0.31970(13) 0.52843(11) 0.0271(3) Uani 1 1 d . . . . .
O6 O 0.0864(3) 0.18042(18) 1.08766(12) 0.0503(5) Uani 1 1 d . . . . .
H6O H 0.1559 0.1328 1.0911 0.060 Uiso 1 1 calc R U . . .
C24 C 0.1300(6) 0.2614(4) 1.1685(2) 0.0883(14) Uani 1 1 d . . . . .
H24A H 0.2136 0.3364 1.1630 0.106 Uiso 1 1 calc R U . . .
H24B H 0.1866 0.2229 1.2173 0.106 Uiso 1 1 calc R U . . .
H24C H 0.0200 0.2807 1.1808 0.106 Uiso 1 1 calc R U . . .
O7 O 0.7417(5) -0.0141(3) 0.8792(2) 0.0412(7) Uani 0.6 1 d D . P . .
H7O H 0.7803 0.0169 0.8376 0.049 Uiso 1 1 calc DR U . . .
O7' O 0.8003(9) 0.0488(6) 0.9423(6) 0.080(2) Uani 0.4 1 d D . P . .
C25 C 0.6598(7) 0.0100(4) 0.9498(3) 0.0863(13) Uani 1 1 d D . . . .
H25A H 0.6448 0.0453 1.0069 0.104 Uiso 1 1 calc R U . . .
H25B H 0.6402 -0.0785 0.9476 0.104 Uiso 1 1 calc DR U . . .
H25C H 0.5723 0.0293 0.9014 0.104 Uiso 1 1 calc DR U . . .
H1N H 0.001(3) 0.119(2) 0.7338(15) 0.023(6) Uiso 1 1 d . . . . .
H5A H 0.131(5) -0.353(3) 0.533(2) 0.061(11) Uiso 1 1 d . . . . .
H5B H -0.020(4) -0.352(3) 0.481(2) 0.053(9) Uiso 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'
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'
Zn Zn 0.2839 1.4301 '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
N2 Zn1 N6 103.11(6) . .
N2 Zn1 N4 151.56(6) . .
N6 Zn1 N4 104.61(6) . .
N2 Zn1 O3 96.24(6) . .
N6 Zn1 O3 76.34(5) . .
N4 Zn1 O3 96.31(6) . .
N2 Zn1 O1 90.40(5) . .
N6 Zn1 O1 74.65(5) . .
N4 Zn1 O1 90.88(5) . .
O3 Zn1 O1 150.99(5) . .
N2 Zn1 N1 76.19(6) . .
N6 Zn1 N1 157.84(5) . .
N4 Zn1 N1 75.76(6) . .
O3 Zn1 N1 125.82(5) . .
O1 Zn1 N1 83.19(5) . .
C17 O1 Zn1 114.48(11) . .
C23 O3 Zn1 115.44(11) . .
C1 N1 C9 116.48(14) . .
C1 N1 Zn1 108.58(10) . .
C9 N1 Zn1 104.02(11) . .
C1 N1 H1N 109.9(15) . .
C9 N1 H1N 110.4(14) . .
Zn1 N1 H1N 106.9(14) . .
C2 N2 C8 105.63(14) . .
C2 N2 Zn1 117.25(12) . .
C8 N2 Zn1 135.97(11) . .
C2 N3 C3 106.80(14) . .
C2 N3 H3N 126.6 . .
C3 N3 H3N 126.6 . .
C10 N4 C16 105.66(15) . .
C10 N4 Zn1 114.42(12) . .
C16 N4 Zn1 139.65(13) . .
C10 N5 C11 107.13(16) . .
C10 N5 H5N 126.4 . .
C11 N5 H5N 126.4 . .
C22 N6 C18 121.13(15) . .
C22 N6 Zn1 118.65(11) . .
C18 N6 Zn1 120.05(11) . .
N1 C1 C2 108.12(14) . .
N1 C1 H1A 110.1 . .
C2 C1 H1A 110.1 . .
N1 C1 H1B 110.1 . .
C2 C1 H1B 110.1 . .
H1A C1 H1B 108.4 . .
N2 C2 N3 113.18(15) . .
N2 C2 C1 122.19(15) . .
N3 C2 C1 124.55(15) . .
N3 C3 C4 131.95(16) . .
N3 C3 C8 105.89(14) . .
C4 C3 C8 122.14(16) . .
C3 C4 C5 116.66(16) . .
C3 C4 H4 121.7 . .
C5 C4 H4 121.7 . .
C4 C5 C6 121.43(17) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C7 C6 C5 121.85(17) . .
C7 C6 H6 119.1 . .
C5 C6 H6 119.1 . .
C6 C7 C8 117.16(16) . .
C6 C7 H7 121.4 . .
C8 C7 H7 121.4 . .
N2 C8 C7 130.72(16) . .
N2 C8 C3 108.47(14) . .
C7 C8 C3 120.75(16) . .
N1 C9 C10 106.33(14) . .
N1 C9 H9A 110.5 . .
C10 C9 H9A 110.5 . .
N1 C9 H9B 110.5 . .
C10 C9 H9B 110.5 . .
H9A C9 H9B 108.7 . .
N4 C10 N5 112.81(17) . .
N4 C10 C9 121.85(15) . .
N5 C10 C9 125.34(17) . .
N5 C11 C12 132.3(2) . .
N5 C11 C16 105.73(16) . .
C12 C11 C16 122.0(2) . .
C13 C12 C11 116.7(2) . .
C13 C12 H12 121.6 . .
C11 C12 H12 121.6 . .
C12 C13 C14 121.9(2) . .
C12 C13 H13 119.0 . .
C14 C13 H13 119.0 . .
C15 C14 C13 121.3(2) . .
C15 C14 H14 119.3 . .
C13 C14 H14 119.3 . .
C14 C15 C16 117.3(2) . .
C14 C15 H15 121.4 . .
C16 C15 H15 121.4 . .
N4 C16 C15 130.50(18) . .
N4 C16 C11 108.68(17) . .
C15 C16 C11 120.81(18) . .
O2 C17 O1 126.23(16) . .
O2 C17 C18 117.43(15) . .
O1 C17 C18 116.34(14) . .
N6 C18 C19 120.98(15) . .
N6 C18 C17 114.20(14) . .
C19 C18 C17 124.78(15) . .
C18 C19 C20 118.33(16) . .
C18 C19 H19 120.8 . .
C20 C19 H19 120.8 . .
C21 C20 C19 120.02(17) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 118.28(16) . .
C20 C21 H21 120.9 . .
C22 C21 H21 120.9 . .
N6 C22 C21 121.23(16) . .
N6 C22 C23 114.06(15) . .
C21 C22 C23 124.66(15) . .
O4 C23 O3 127.07(16) . .
O4 C23 C22 117.59(16) . .
O3 C23 C22 115.34(14) . .
H5A O5 H5B 107(3) . .
C24 O6 H6O 109.5 . .
O6 C24 H24A 109.5 . .
O6 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
O6 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O7' O7 C25 51.4(4) . .
O7' O7 H7O 109.5 . .
C25 O7 H7O 142.8 . .
O7 O7' C25 78.1(6) . .
O7' C25 O7 50.4(5) . .
O7' C25 H25A 109.5 . .
O7 C25 H25A 159.9 . .
O7' C25 H25B 109.5 . .
O7 C25 H25B 81.2 . .
H25A C25 H25B 109.5 . .
O7' C25 H25C 109.5 . .
O7 C25 H25C 81.4 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N2 2.0530(15) .
Zn1 N6 2.0544(15) .
Zn1 N4 2.0637(15) .
Zn1 O3 2.1875(13) .
Zn1 O1 2.2733(13) .
Zn1 N1 2.3145(16) .
O1 C17 1.256(2) .
O2 C17 1.252(2) .
O3 C23 1.276(2) .
O4 C23 1.237(2) .
N1 C1 1.472(2) .
N1 C9 1.476(2) .
N1 H1N 0.93(2) .
N2 C2 1.320(2) .
N2 C8 1.397(2) .
N3 C2 1.351(2) .
N3 C3 1.388(2) .
N3 H3N 0.8800 .
N4 C10 1.324(2) .
N4 C16 1.393(2) .
N5 C10 1.346(2) .
N5 C11 1.388(3) .
N5 H5N 0.8800 .
N6 C22 1.330(2) .
N6 C18 1.339(2) .
C1 C2 1.503(2) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C3 C4 1.391(2) .
C3 C8 1.408(2) .
C4 C5 1.392(3) .
C4 H4 0.9500 .
C5 C6 1.406(3) .
C5 H5 0.9500 .
C6 C7 1.384(2) .
C6 H6 0.9500 .
C7 C8 1.398(2) .
C7 H7 0.9500 .
C9 C10 1.498(3) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C11 C12 1.392(3) .
C11 C16 1.401(3) .
C12 C13 1.377(4) .
C12 H12 0.9500 .
C13 C14 1.406(4) .
C13 H13 0.9500 .
C14 C15 1.384(3) .
C14 H14 0.9500 .
C15 C16 1.395(3) .
C15 H15 0.9500 .
C17 C18 1.522(2) .
C18 C19 1.387(2) .
C19 C20 1.395(3) .
C19 H19 0.9500 .
C20 C21 1.382(3) .
C20 H20 0.9500 .
C21 C22 1.394(2) .
C21 H21 0.9500 .
C22 C23 1.533(2) .
O5 H5A 0.76(3) .
O5 H5B 0.85(3) .
O6 C24 1.424(4) .
O6 H6O 0.8400 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
O7 O7' 1.112(9) .
O7 C25 1.411(5) .
O7 H7O 0.8400 .
O7' C25 1.127(7) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
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
C9 N1 C1 C2 -143.98(15) . . . .
Zn1 N1 C1 C2 -27.04(16) . . . .
C8 N2 C2 N3 -1.4(2) . . . .
Zn1 N2 C2 N3 -171.06(11) . . . .
C8 N2 C2 C1 175.57(16) . . . .
Zn1 N2 C2 C1 5.9(2) . . . .
C3 N3 C2 N2 1.5(2) . . . .
C3 N3 C2 C1 -175.32(16) . . . .
N1 C1 C2 N2 16.5(2) . . . .
N1 C1 C2 N3 -166.92(16) . . . .
C2 N3 C3 C4 177.04(18) . . . .
C2 N3 C3 C8 -1.00(19) . . . .
N3 C3 C4 C5 -178.12(18) . . . .
C8 C3 C4 C5 -0.3(3) . . . .
C3 C4 C5 C6 0.6(3) . . . .
C4 C5 C6 C7 0.1(3) . . . .
C5 C6 C7 C8 -1.0(3) . . . .
C2 N2 C8 C7 -176.46(19) . . . .
Zn1 N2 C8 C7 -9.7(3) . . . .
C2 N2 C8 C3 0.66(19) . . . .
Zn1 N2 C8 C3 167.43(13) . . . .
C6 C7 C8 N2 178.08(17) . . . .
C6 C7 C8 C3 1.3(3) . . . .
N3 C3 C8 N2 0.23(19) . . . .
C4 C3 C8 N2 -178.06(15) . . . .
N3 C3 C8 C7 177.69(16) . . . .
C4 C3 C8 C7 -0.6(3) . . . .
C1 N1 C9 C10 160.29(15) . . . .
Zn1 N1 C9 C10 40.86(15) . . . .
C16 N4 C10 N5 0.2(2) . . . .
Zn1 N4 C10 N5 175.31(12) . . . .
C16 N4 C10 C9 179.54(16) . . . .
Zn1 N4 C10 C9 -5.4(2) . . . .
C11 N5 C10 N4 0.0(2) . . . .
C11 N5 C10 C9 -179.30(17) . . . .
N1 C9 C10 N4 -27.6(2) . . . .
N1 C9 C10 N5 151.66(17) . . . .
C10 N5 C11 C12 178.8(2) . . . .
C10 N5 C11 C16 -0.2(2) . . . .
N5 C11 C12 C13 -178.9(2) . . . .
C16 C11 C12 C13 0.0(4) . . . .
C11 C12 C13 C14 0.0(4) . . . .
C12 C13 C14 C15 0.0(4) . . . .
C13 C14 C15 C16 0.1(4) . . . .
C10 N4 C16 C15 -179.1(2) . . . .
Zn1 N4 C16 C15 7.8(3) . . . .
C10 N4 C16 C11 -0.3(2) . . . .
Zn1 N4 C16 C11 -173.45(15) . . . .
C14 C15 C16 N4 178.5(2) . . . .
C14 C15 C16 C11 -0.1(3) . . . .
N5 C11 C16 N4 0.3(2) . . . .
C12 C11 C16 N4 -178.8(2) . . . .
N5 C11 C16 C15 179.22(19) . . . .
C12 C11 C16 C15 0.0(3) . . . .
Zn1 O1 C17 O2 -174.76(13) . . . .
Zn1 O1 C17 C18 4.36(18) . . . .
C22 N6 C18 C19 -1.2(2) . . . .
Zn1 N6 C18 C19 174.18(13) . . . .
C22 N6 C18 C17 -178.84(14) . . . .
Zn1 N6 C18 C17 -3.50(18) . . . .
O2 C17 C18 N6 178.23(14) . . . .
O1 C17 C18 N6 -1.0(2) . . . .
O2 C17 C18 C19 0.7(2) . . . .
O1 C17 C18 C19 -178.55(16) . . . .
N6 C18 C19 C20 1.0(3) . . . .
C17 C18 C19 C20 178.37(16) . . . .
C18 C19 C20 C21 0.2(3) . . . .
C19 C20 C21 C22 -1.1(3) . . . .
C18 N6 C22 C21 0.2(3) . . . .
Zn1 N6 C22 C21 -175.18(13) . . . .
C18 N6 C22 C23 177.94(14) . . . .
Zn1 N6 C22 C23 2.54(19) . . . .
C20 C21 C22 N6 0.9(3) . . . .
C20 C21 C22 C23 -176.59(17) . . . .
Zn1 O3 C23 O4 -176.25(16) . . . .
Zn1 O3 C23 C22 4.20(19) . . . .
N6 C22 C23 O4 175.89(16) . . . .
C21 C22 C23 O4 -6.5(3) . . . .
N6 C22 C23 O3 -4.5(2) . . . .
C21 C22 C23 O3 173.12(17) . . . .
