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#$Date: 2021-09-06 13:28:17 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268668 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/30/7243097.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_7243097
loop_
_publ_author_name
'Tseng, Tien-Wen'
'Luo, Tzuoo-Tsair'
'Tseng, Kuo-Yang'
'Hong, Yu-Xian'
'Huang, Guang-Cheng'
_publ_section_title
;
 Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate
 ligands: syntheses, structures and properties
;
_journal_issue                   31
_journal_name_full               CrystEngComm
_journal_page_first              5293
_journal_page_last               5305
_journal_paper_doi               10.1039/D1CE00780G
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C25 H17 N7 O6 Zn'
_chemical_formula_weight         576.82
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-03-18 deposited with the CCDC.	2021-06-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.217(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.038(7)
_cell_length_b                   8.955(4)
_cell_length_c                   17.558(7)
_cell_measurement_reflns_used    5959
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.03
_cell_measurement_theta_min      2.49
_cell_volume                     2350.8(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1760
_diffrn_reflns_av_unetI/netI     0.0884
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            47080
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.185
_diffrn_reflns_theta_max         25.185
_diffrn_reflns_theta_min         2.365
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.104
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7128
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.627
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4188
_refine_ls_number_restraints     77
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0328P)²+1.2292P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.1019
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3064
_reflns_number_total             4188
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00780g2.cif
_cod_data_source_block           shelx_CCDC4
_cod_depositor_comments
'Adding full bibliography for 7243093--7243099.cif.'
_cod_original_cell_volume        2350.7(17)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7243097
_shelx_shelxl_version_number     2018/3
_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   0.826
_shelx_estimated_absorpt_t_max   0.888
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Zn1 Zn 0.13614(3) 0.48285(4) 0.21023(2) 0.01618(14) Uani 1 1 d . . . . .
C1 C 0.2287(2) 0.6373(4) 0.4548(2) 0.0162(8) Uani 1 1 d . . . . .
C2 C 0.1970(2) 0.7218(4) 0.5055(2) 0.0189(8) Uani 1 1 d . . . . .
H2 H 0.135953 0.738180 0.490830 0.023 Uiso 1 1 calc R U . . .
C3 C 0.2567(2) 0.7817(4) 0.5781(2) 0.0167(8) Uani 1 1 d . . . . .
C4 C 0.3473(2) 0.7528(4) 0.6017(2) 0.0159(8) Uani 1 1 d . . . . .
H4 H 0.386859 0.790946 0.650674 0.019 Uiso 1 1 calc R U . . .
C5 C 0.3793(2) 0.6662(4) 0.5518(2) 0.0158(8) Uani 1 1 d . . . . .
C6 C 0.3200(2) 0.6092(4) 0.4778(2) 0.0159(8) Uani 1 1 d . . . . .
H6 H 0.341334 0.552859 0.444291 0.019 Uiso 1 1 calc R U . . .
C7A C 0.1639(19) 0.603(5) 0.372(3) 0.016(3) Uani 0.31(3) 1 d D U P A 1
O1A O 0.201(3) 0.526(3) 0.328(2) 0.0133(18) Uani 0.31(3) 1 d D U P A 1
O2A O 0.0822(16) 0.602(3) 0.3516(14) 0.032(2) Uani 0.31(3) 1 d D U P A 1
C7B C 0.1641(8) 0.5691(19) 0.3747(12) 0.016(3) Uani 0.69(3) 1 d D U P A 2
O1B O 0.1998(11) 0.5572(16) 0.3183(9) 0.0133(18) Uani 0.69(3) 1 d D U P A 2
O2B O 0.0856(6) 0.5492(18) 0.3678(7) 0.032(2) Uani 0.69(3) 1 d D U P A 2
C8 C 0.2262(3) 0.8846(4) 0.6319(2) 0.0201(9) Uani 1 1 d . . . . .
C9 C 0.4747(3) 0.6422(4) 0.5775(2) 0.0183(8) Uani 1 1 d . . . . .
C10 C -0.2175(2) 0.6115(4) 0.0474(2) 0.0167(8) Uani 1 1 d . . . . .
C11 C -0.2115(2) 0.7310(4) -0.0005(2) 0.0179(8) Uani 1 1 d . . . . .
H11 H -0.156080 0.771548 0.005393 0.021 Uiso 1 1 calc R U . . .
C12 C -0.2891(2) 0.7890(4) -0.0573(2) 0.0172(8) Uani 1 1 d . . . . .
H12 H -0.286086 0.868378 -0.090355 0.021 Uiso 1 1 calc R U . . .
C13 C -0.3707(2) 0.7290(4) -0.0648(2) 0.0158(8) Uani 1 1 d . . . . .
C14 C -0.3771(2) 0.6130(4) -0.0148(2) 0.0187(8) Uani 1 1 d . . . . .
H14 H -0.432871 0.576271 -0.018971 0.022 Uiso 1 1 calc R U . . .
C15 C -0.2999(2) 0.5523(4) 0.0414(2) 0.0164(8) Uani 1 1 d . . . . .
H15 H -0.303062 0.473166 0.074533 0.020 Uiso 1 1 calc R U . . .
C16 C -0.0539(2) 0.5562(4) 0.1074(2) 0.0190(9) Uani 1 1 d . . . . .
H16 H -0.036186 0.607965 0.069839 0.023 Uiso 1 1 calc R U . . .
C17 C -0.0564(2) 0.4238(5) 0.2058(2) 0.0256(9) Uani 1 1 d . . . . .
H17 H -0.037172 0.365032 0.252650 0.031 Uiso 1 1 calc R U . . .
C18 C -0.5190(2) 0.7021(4) -0.1616(2) 0.0149(8) Uani 1 1 d . . . . .
C19 C -0.6034(2) 0.7577(4) -0.17379(19) 0.0152(8) Uani 1 1 d . . . . .
H19 H -0.610220 0.854271 -0.157434 0.018 Uiso 1 1 calc R U . . .
C20 C -0.6780(2) 0.6681(4) -0.2107(2) 0.0165(8) Uani 1 1 d . . . . .
H20 H -0.735190 0.703342 -0.219163 0.020 Uiso 1 1 calc R U . . .
C21 C -0.6652(2) 0.5248(4) -0.2346(2) 0.0147(8) Uani 1 1 d . . . . .
C22 C -0.5811(2) 0.4720(4) -0.2264(2) 0.0181(8) Uani 1 1 d . . . . .
H22 H -0.574664 0.377256 -0.245179 0.022 Uiso 1 1 calc R U . . .
C23 C -0.5068(2) 0.5613(4) -0.1899(2) 0.0174(8) Uani 1 1 d . . . . .
H23 H -0.449928 0.528126 -0.184462 0.021 Uiso 1 1 calc R U . . .
C24 C -0.7471(2) 0.2838(4) -0.2489(2) 0.0176(8) Uani 1 1 d . . . . .
H24 H -0.701449 0.228668 -0.211395 0.021 Uiso 1 1 calc R U . . .
C25 C -0.8699(2) 0.3528(4) -0.3368(2) 0.0191(8) Uani 1 1 d . . . . .
H25 H -0.928934 0.349727 -0.373026 0.023 Uiso 1 1 calc R U . . .
N1 N 0.5514(2) 0.6296(3) 0.59943(19) 0.0274(8) Uani 1 1 d . . . . .
N2 N 0.00079(19) 0.4800(3) 0.17152(17) 0.0183(7) Uani 1 1 d . . . . .
N3 N -0.1406(2) 0.4590(4) 0.16765(18) 0.0257(8) Uani 1 1 d . . . . .
N4 N -0.13714(19) 0.5468(3) 0.10530(17) 0.0159(7) Uani 1 1 d . . . . .
N5 N -0.82841(19) 0.2327(3) -0.29151(17) 0.0184(7) Uani 1 1 d . . . . .
N6 N -0.8199(2) 0.4746(3) -0.32541(17) 0.0186(7) Uani 1 1 d . . . . .
N7 N -0.74097(19) 0.4258(3) -0.26803(16) 0.0152(7) Uani 1 1 d . . . . .
O3 O 0.28135(18) 0.9675(3) 0.68134(15) 0.0248(6) Uani 1 1 d . . . . .
O4 O 0.14329(17) 0.8785(3) 0.62360(15) 0.0238(6) Uani 1 1 d . . . . .
O5 O -0.44623(15) 0.7950(3) -0.12205(14) 0.0189(6) Uani 1 1 d . . . . .
O6 O 0.0025(2) 0.8588(4) 0.04508(18) 0.0395(8) Uani 1 1 d D . . . .
H6A H 0.0527(16) 0.837(5) 0.075(2) 0.059 Uiso 1 1 d D U . . .
H6B H -0.021(3) 0.903(5) 0.072(2) 0.059 Uiso 1 1 d D U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O1B Zn1 O4 112.4(4) . 4_575 ?
O1A Zn1 O4 121.4(8) . 4_575 ?
O1A Zn1 N5 99.2(8) . 4_666 ?
O4 Zn1 N5 119.28(11) 4_575 4_666 ?
O1B Zn1 N2 117.3(4) . . ?
O1A Zn1 N2 116.1(11) . . ?
O4 Zn1 N2 95.86(11) 4_575 . ?
N5 Zn1 N2 104.88(12) 4_666 . ?
C6 C1 C2 119.9(3) . . ?
C6 C1 C7A 122.6(11) . . ?
C2 C1 C7A 116.7(11) . . ?
C6 C1 C7B 118.9(5) . . ?
C2 C1 C7B 121.2(5) . . ?
C3 C2 C1 120.2(3) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 C8 117.8(3) . . ?
C2 C3 C8 122.2(3) . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.1(3) . . ?
C4 C5 C9 118.3(3) . . ?
C6 C5 C9 121.5(3) . . ?
C1 C6 C5 119.6(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
O2A C7A O1A 119(4) . . ?
O2A C7A C1 126(3) . . ?
O1A C7A C1 112(3) . . ?
C7A O1A Zn1 122(3) . . ?
O2B C7B O1B 128.4(17) . . ?
O2B C7B C1 118.2(13) . . ?
O1B C7B C1 112.8(11) . . ?
C7B O1B Zn1 123.5(14) . . ?
O3 C8 O4 123.5(3) . . ?
O3 C8 C3 119.4(3) . . ?
O4 C8 C3 117.1(3) . . ?
N1 C9 C5 176.8(4) . . ?
C11 C10 C15 121.4(3) . . ?
C11 C10 N4 119.8(3) . . ?
C15 C10 N4 118.8(3) . . ?
C12 C11 C10 119.0(3) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C13 C12 C11 119.9(3) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 121.1(3) . . ?
C12 C13 O5 116.8(3) . . ?
C14 C13 O5 122.0(3) . . ?
C15 C14 C13 119.5(3) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C10 119.0(3) . . ?
C14 C15 H15 120.5 . . ?
C10 C15 H15 120.5 . . ?
N4 C16 N2 109.7(3) . . ?
N4 C16 H16 125.1 . . ?
N2 C16 H16 125.1 . . ?
N3 C17 N2 114.8(3) . . ?
N3 C17 H17 122.6 . . ?
N2 C17 H17 122.6 . . ?
C19 C18 C23 121.7(3) . . ?
C19 C18 O5 117.2(3) . . ?
C23 C18 O5 121.1(3) . . ?
C18 C19 C20 119.5(3) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C21 C20 C19 118.6(3) . . ?
C21 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
C22 C21 C20 121.8(3) . . ?
C22 C21 N7 118.5(3) . . ?
C20 C21 N7 119.7(3) . . ?
C23 C22 C21 119.6(3) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C18 118.5(3) . . ?
C22 C23 H23 120.7 . . ?
C18 C23 H23 120.7 . . ?
N7 C24 N5 109.6(3) . . ?
N7 C24 H24 125.2 . . ?
N5 C24 H24 125.2 . . ?
N6 C25 N5 114.9(3) . . ?
N6 C25 H25 122.6 . . ?
N5 C25 H25 122.6 . . ?
C16 N2 C17 102.7(3) . . ?
C16 N2 Zn1 124.9(2) . . ?
C17 N2 Zn1 131.8(2) . . ?
C17 N3 N4 102.4(3) . . ?
C16 N4 N3 110.4(3) . . ?
C16 N4 C10 128.9(3) . . ?
N3 N4 C10 120.7(3) . . ?
C24 N5 C25 103.3(3) . . ?
C24 N5 Zn1 123.1(2) . 4_465 ?
C25 N5 Zn1 133.2(2) . 4_465 ?
C25 N6 N7 101.3(3) . . ?
C24 N7 N6 111.0(3) . . ?
C24 N7 C21 127.8(3) . . ?
N6 N7 C21 121.2(3) . . ?
C8 O4 Zn1 103.3(2) . 4_576 ?
C13 O5 C18 117.2(3) . . ?
H6A O6 H6B 107(4) . . ?
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
Zn1 O1B 1.920(16) . ?
Zn1 O1A 1.99(4) . ?
Zn1 O4 1.999(2) 4_575 ?
Zn1 N5 2.015(3) 4_666 ?
Zn1 N2 2.027(3) . ?
C1 C6 1.393(5) . ?
C1 C2 1.397(5) . ?
C1 C7A 1.48(4) . ?
C1 C7B 1.539(18) . ?
C2 C3 1.395(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.383(5) . ?
C3 C8 1.521(5) . ?
C4 C5 1.399(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.400(5) . ?
C5 C9 1.445(5) . ?
C6 H6 0.9300 . ?
C7A O2A 1.227(16) . ?
C7A O1A 1.317(17) . ?
C7B O2B 1.234(8) . ?
C7B O1B 1.314(10) . ?
C8 O3 1.237(4) . ?
C8 O4 1.286(4) . ?
C9 N1 1.155(4) . ?
C10 C11 1.385(5) . ?
C10 C15 1.393(5) . ?
C10 N4 1.443(4) . ?
C11 C12 1.384(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.377(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.388(5) . ?
C13 O5 1.395(4) . ?
C14 C15 1.385(5) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 N4 1.325(4) . ?
C16 N2 1.337(4) . ?
C16 H16 0.9300 . ?
C17 N3 1.311(5) . ?
C17 N2 1.363(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.385(5) . ?
C18 C23 1.395(5) . ?
C18 O5 1.396(4) . ?
C19 C20 1.390(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.388(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.386(5) . ?
C21 N7 1.446(4) . ?
C22 C23 1.385(5) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 N7 1.327(4) . ?
C24 N5 1.328(4) . ?
C24 H24 0.9300 . ?
C25 N6 1.326(4) . ?
C25 N5 1.360(4) . ?
C25 H25 0.9300 . ?
N3 N4 1.365(4) . ?
N6 N7 1.373(4) . ?
O6 H6A 0.810(19) . ?
O6 H6B 0.808(18) . ?
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
C6 C1 C2 C3 1.8(5) . . . . ?
C7A C1 C2 C3 -168.6(19) . . . . ?
C7B C1 C2 C3 179.5(9) . . . . ?
C1 C2 C3 C4 -2.5(5) . . . . ?
C1 C2 C3 C8 175.0(3) . . . . ?
C2 C3 C4 C5 1.4(5) . . . . ?
C8 C3 C4 C5 -176.2(3) . . . . ?
C3 C4 C5 C6 0.3(5) . . . . ?
C3 C4 C5 C9 178.2(3) . . . . ?
C2 C1 C6 C5 -0.1(5) . . . . ?
C7A C1 C6 C5 170(2) . . . . ?
C7B C1 C6 C5 -177.8(8) . . . . ?
C4 C5 C6 C1 -1.0(5) . . . . ?
C9 C5 C6 C1 -178.8(3) . . . . ?
C6 C1 C7A O2A 167(3) . . . . ?
C2 C1 C7A O2A -22(5) . . . . ?
C6 C1 C7A O1A 8(4) . . . . ?
C2 C1 C7A O1A 178(2) . . . . ?
O2A C7A O1A Zn1 27(5) . . . . ?
C1 C7A O1A Zn1 -172(2) . . . . ?
C6 C1 C7B O2B 155.4(9) . . . . ?
C2 C1 C7B O2B -22.3(15) . . . . ?
C6 C1 C7B O1B -32.5(19) . . . . ?
C2 C1 C7B O1B 149.8(12) . . . . ?
O2B C7B O1B Zn1 -7(2) . . . . ?
C1 C7B O1B Zn1 -177.8(6) . . . . ?
C4 C3 C8 O3 18.2(5) . . . . ?
C2 C3 C8 O3 -159.4(3) . . . . ?
C4 C3 C8 O4 -161.1(3) . . . . ?
C2 C3 C8 O4 21.4(5) . . . . ?
C15 C10 C11 C12 -2.1(5) . . . . ?
N4 C10 C11 C12 178.3(3) . . . . ?
C10 C11 C12 C13 0.7(5) . . . . ?
C11 C12 C13 C14 1.7(5) . . . . ?
C11 C12 C13 O5 178.7(3) . . . . ?
C12 C13 C14 C15 -2.7(5) . . . . ?
O5 C13 C14 C15 -179.6(3) . . . . ?
C13 C14 C15 C10 1.3(5) . . . . ?
C11 C10 C15 C14 1.1(5) . . . . ?
N4 C10 C15 C14 -179.3(3) . . . . ?
C23 C18 C19 C20 4.1(5) . . . . ?
O5 C18 C19 C20 -178.1(3) . . . . ?
C18 C19 C20 C21 -0.3(5) . . . . ?
C19 C20 C21 C22 -3.2(5) . . . . ?
C19 C20 C21 N7 175.8(3) . . . . ?
C20 C21 C22 C23 3.0(5) . . . . ?
N7 C21 C22 C23 -176.0(3) . . . . ?
C21 C22 C23 C18 0.8(5) . . . . ?
C19 C18 C23 C22 -4.3(5) . . . . ?
O5 C18 C23 C22 178.0(3) . . . . ?
N4 C16 N2 C17 0.9(4) . . . . ?
N4 C16 N2 Zn1 -171.3(2) . . . . ?
N3 C17 N2 C16 0.3(4) . . . . ?
N3 C17 N2 Zn1 171.8(3) . . . . ?
N2 C17 N3 N4 -1.3(4) . . . . ?
N2 C16 N4 N3 -1.8(4) . . . . ?
N2 C16 N4 C10 179.8(3) . . . . ?
C17 N3 N4 C16 1.9(4) . . . . ?
C17 N3 N4 C10 -179.7(3) . . . . ?
C11 C10 N4 C16 -19.8(5) . . . . ?
C15 C10 N4 C16 160.6(3) . . . . ?
C11 C10 N4 N3 162.0(3) . . . . ?
C15 C10 N4 N3 -17.6(5) . . . . ?
N7 C24 N5 C25 -0.1(4) . . . . ?
N7 C24 N5 Zn1 174.1(2) . . . 4_465 ?
N6 C25 N5 C24 0.2(4) . . . . ?
N6 C25 N5 Zn1 -173.1(2) . . . 4_465 ?
N5 C25 N6 N7 -0.3(4) . . . . ?
N5 C24 N7 N6 -0.1(4) . . . . ?
N5 C24 N7 C21 178.4(3) . . . . ?
C25 N6 N7 C24 0.2(4) . . . . ?
C25 N6 N7 C21 -178.4(3) . . . . ?
C22 C21 N7 C24 45.6(5) . . . . ?
C20 C21 N7 C24 -133.5(4) . . . . ?
C22 C21 N7 N6 -136.1(3) . . . . ?
C20 C21 N7 N6 44.9(4) . . . . ?
O3 C8 O4 Zn1 -3.4(4) . . . 4_576 ?
C3 C8 O4 Zn1 175.8(2) . . . 4_576 ?
C12 C13 O5 C18 147.4(3) . . . . ?
C14 C13 O5 C18 -35.6(4) . . . . ?
C19 C18 O5 C13 139.4(3) . . . . ?
C23 C18 O5 C13 -42.8(4) . . . . ?
