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#$Date: 2022-06-24 12:38:37 +0300 (Fri, 24 Jun 2022) $
#$Revision: 276246 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/55/8105515.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_8105515
loop_
_publ_author_name
'Tan, Ming Yueh'
'Kwong, Huey Chong'
'Crouse, Karen A.'
'Ravoof, Thahira B.S.A.'
'Tiekink, Edward R.T.'
_publ_section_title
;
 Crystal structure of
 bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II),
 C26H36N6O2S2Zn
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1539
_journal_page_last               1541
_journal_paper_doi               10.1515/ncrs-2020-0381
_journal_volume                  235
_journal_year                    2020
_chemical_formula_moiety         'C26 H36 N6 O2 S2 Zn'
_chemical_formula_sum            'C26 H36 N6 O2 S2 Zn'
_chemical_formula_weight         594.10
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                102.157(5)
_cell_angle_beta                 101.395(4)
_cell_angle_gamma                100.771(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1777(5)
_cell_length_b                   12.3828(7)
_cell_length_c                   13.3137(7)
_cell_measurement_reflns_used    3941
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29
_cell_measurement_theta_min      2
_cell_volume                     1408.14(14)
_computing_cell_refinement       'CrysAlis PRO [1]'
_computing_data_collection       'CrysAlis PRO [1]'
_computing_data_reduction        'CrysAlis PRO [1]'
_computing_molecular_graphics    'ORTEP-3 for Windows [4]'
_computing_publication_material  'SHELXL-2018/3 [3]'
_computing_structure_refinement  'SHELXL-2018/3 [3]'
_computing_structure_solution    'SHELXL-97 [2]'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0687
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.861
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12413
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.861
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.813
_diffrn_reflns_theta_min         2.331
_exptl_absorpt_coefficient_mu    1.055
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis [1]'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_description       slab
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         6335
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0489
_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)+(0.0426P)²+0.6781P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1147
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4742
_reflns_number_total             6335
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2020-0381_suppl.cif
_cod_data_source_block           shelx
_cod_database_code               8105515
_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   0.849
_shelx_estimated_absorpt_t_max   0.959
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
Zn Zn 0.91082(4) 0.22680(3) 0.25162(3) 0.02339(11) Uani 1 1 d . . . . .
S1 S 1.05901(9) 0.21312(8) 0.40419(6) 0.0312(2) Uani 1 1 d . . . . .
S2 S 0.95685(9) 0.17416(7) 0.08882(6) 0.02683(19) Uani 1 1 d . . . . .
O1 O 0.2828(2) 0.17380(17) -0.33342(15) 0.0252(5) Uani 1 1 d . . . . .
O2 O 0.7703(2) 0.47250(17) 0.85343(15) 0.0241(5) Uani 1 1 d . . . . .
N1 N 0.9344(3) 0.1265(2) 0.54031(19) 0.0246(6) Uani 1 1 d D . . . .
H1N H 1.0282(17) 0.134(3) 0.576(2) 0.030 Uiso 1 1 d D U . . .
N2 N 0.7560(3) 0.12345(19) 0.39549(18) 0.0200(5) Uani 1 1 d . . . . .
N3 N 0.7260(3) 0.14303(19) 0.29480(18) 0.0198(5) Uani 1 1 d . . . . .
N4 N 0.8974(3) 0.2964(2) -0.05031(19) 0.0239(6) Uani 1 1 d D . . . .
H4N H 0.871(3) 0.3557(17) -0.068(2) 0.029 Uiso 1 1 d D U . . .
N5 N 0.8602(3) 0.37436(19) 0.10833(17) 0.0189(5) Uani 1 1 d . . . . .
N6 N 0.8690(3) 0.3710(2) 0.21359(17) 0.0184(5) Uani 1 1 d . . . . .
C1 C 0.9009(3) 0.1484(2) 0.4448(2) 0.0226(6) Uani 1 1 d . . . . .
C2 C 0.8186(4) 0.0648(3) 0.5811(2) 0.0284(7) Uani 1 1 d . . . . .
H2A H 0.749031 0.112787 0.599245 0.043 Uiso 1 1 calc R U . . .
H2B H 0.867998 0.044831 0.644554 0.043 Uiso 1 1 calc R U . . .
H2C H 0.760462 -0.004687 0.526930 0.043 Uiso 1 1 calc R U . . .
C3 C 0.5837(3) 0.1119(2) 0.2430(2) 0.0222(6) Uani 1 1 d . . . . .
C4 C 0.4595(4) 0.0630(3) 0.2906(3) 0.0347(8) Uani 1 1 d . . . . .
H4A H 0.472653 -0.010555 0.302092 0.052 Uiso 1 1 calc R U . . .
H4B H 0.359474 0.052462 0.242217 0.052 Uiso 1 1 calc R U . . .
H4C H 0.465267 0.115213 0.358513 0.052 Uiso 1 1 calc R U . . .
C5 C 0.5419(3) 0.1171(2) 0.1300(2) 0.0223(6) Uani 1 1 d . . . . .
H5A H 0.484133 0.040520 0.085944 0.027 Uiso 1 1 calc R U . . .
H5B H 0.637342 0.136505 0.106805 0.027 Uiso 1 1 calc R U . . .
C6 C 0.4458(3) 0.2031(3) 0.1083(2) 0.0253(7) Uani 1 1 d . . . . .
H6A H 0.351607 0.186403 0.133502 0.030 Uiso 1 1 calc R U . . .
H6B H 0.505016 0.280821 0.148396 0.030 Uiso 1 1 calc R U . . .
C7 C 0.4030(3) 0.1981(2) -0.0083(2) 0.0225(6) Uani 1 1 d . . . . .
C8 C 0.2708(3) 0.1227(3) -0.0763(2) 0.0257(7) Uani 1 1 d . . . . .
H8 H 0.204348 0.075593 -0.048087 0.031 Uiso 1 1 calc R U . . .
C9 C 0.2344(3) 0.1153(2) -0.1840(2) 0.0245(7) Uani 1 1 d . . . . .
H9 H 0.143864 0.063324 -0.228777 0.029 Uiso 1 1 calc R U . . .
C10 C 0.3300(3) 0.1836(2) -0.2266(2) 0.0207(6) Uani 1 1 d . . . . .
C11 C 0.4633(3) 0.2585(2) -0.1605(2) 0.0235(6) Uani 1 1 d . . . . .
H11 H 0.530362 0.304856 -0.188890 0.028 Uiso 1 1 calc R U . . .
C12 C 0.4976(3) 0.2648(3) -0.0531(2) 0.0250(7) Uani 1 1 d . . . . .
H12 H 0.588541 0.316373 -0.008467 0.030 Uiso 1 1 calc R U . . .
C13 C 0.3930(4) 0.2258(3) -0.3822(2) 0.0291(7) Uani 1 1 d . . . . .
H13A H 0.419644 0.308402 -0.352819 0.044 Uiso 1 1 calc R U . . .
H13B H 0.349675 0.207772 -0.458899 0.044 Uiso 1 1 calc R U . . .
H13C H 0.485239 0.196625 -0.368383 0.044 Uiso 1 1 calc R U . . .
C14 C 0.8999(3) 0.2903(2) 0.0509(2) 0.0201(6) Uani 1 1 d . . . . .
C15 C 0.9007(4) 0.2041(3) -0.1360(2) 0.0348(8) Uani 1 1 d . . . . .
H15A H 0.938601 0.145388 -0.106882 0.052 Uiso 1 1 calc R U . . .
H15B H 0.968623 0.232906 -0.177710 0.052 Uiso 1 1 calc R U . . .
H15C H 0.797169 0.171425 -0.181665 0.052 Uiso 1 1 calc R U . . .
C16 C 0.8408(3) 0.4583(2) 0.2724(2) 0.0201(6) Uani 1 1 d . . . . .
C17 C 0.8037(4) 0.5563(3) 0.2320(2) 0.0280(7) Uani 1 1 d . . . . .
H17A H 0.875540 0.578981 0.190441 0.042 Uiso 1 1 calc R U . . .
H17B H 0.812110 0.620418 0.292006 0.042 Uiso 1 1 calc R U . . .
H17C H 0.699046 0.533705 0.187045 0.042 Uiso 1 1 calc R U . . .
C18 C 0.8486(3) 0.4620(3) 0.3864(2) 0.0213(6) Uani 1 1 d . . . . .
H18A H 0.917021 0.535177 0.430815 0.026 Uiso 1 1 calc R U . . .
H18B H 0.894879 0.400237 0.404305 0.026 Uiso 1 1 calc R U . . .
C19 C 0.6920(3) 0.4494(3) 0.4144(2) 0.0236(6) Uani 1 1 d . . . . .
H19A H 0.643699 0.509777 0.395146 0.028 Uiso 1 1 calc R U . . .
H19B H 0.624222 0.374943 0.372579 0.028 Uiso 1 1 calc R U . . .
C20 C 0.7088(3) 0.4578(2) 0.5309(2) 0.0212(6) Uani 1 1 d . . . . .
C21 C 0.7537(3) 0.3734(3) 0.5749(2) 0.0258(7) Uani 1 1 d . . . . .
H21 H 0.770734 0.308709 0.530142 0.031 Uiso 1 1 calc R U . . .
C22 C 0.7742(3) 0.3810(3) 0.6817(2) 0.0255(7) Uani 1 1 d . . . . .
H22 H 0.805331 0.321999 0.709504 0.031 Uiso 1 1 calc R U . . .
C23 C 0.7495(3) 0.4744(2) 0.7491(2) 0.0193(6) Uani 1 1 d . . . . .
C24 C 0.7044(3) 0.5595(3) 0.7070(2) 0.0227(6) Uani 1 1 d . . . . .
H24 H 0.686532 0.623728 0.751709 0.027 Uiso 1 1 calc R U . . .
C25 C 0.6853(3) 0.5506(2) 0.5986(2) 0.0223(6) Uani 1 1 d . . . . .
H25 H 0.655293 0.609832 0.570664 0.027 Uiso 1 1 calc R U . . .
C26 C 0.7232(4) 0.5576(3) 0.9225(2) 0.0270(7) Uani 1 1 d . . . . .
H26A H 0.783559 0.633148 0.926034 0.040 Uiso 1 1 calc R U . . .
H26B H 0.739633 0.544784 0.993571 0.040 Uiso 1 1 calc R U . . .
H26C H 0.614448 0.553090 0.894898 0.040 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'
S S 0.1246 0.1234 '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
N6 Zn N3 110.21(9) . .
N6 Zn S1 127.45(7) . .
N3 Zn S1 87.10(7) . .
N6 Zn S2 87.45(6) . .
N3 Zn S2 123.34(7) . .
S1 Zn S2 124.54(3) . .
C1 S1 Zn 93.13(10) . .
C14 S2 Zn 92.37(9) . .
C10 O1 C13 116.8(2) . .
C23 O2 C26 117.6(2) . .
C1 N1 C2 121.9(3) . .
C1 N1 H1N 123(2) . .
C2 N1 H1N 114(2) . .
C1 N2 N3 115.1(2) . .
C3 N3 N2 115.3(2) . .
C3 N3 Zn 128.33(19) . .
N2 N3 Zn 116.20(17) . .
C14 N4 C15 125.5(3) . .
C14 N4 H4N 116(2) . .
C15 N4 H4N 117(2) . .
C14 N5 N6 114.9(2) . .
C16 N6 N5 114.9(2) . .
C16 N6 Zn 128.72(19) . .
N5 N6 Zn 116.26(17) . .
N2 C1 N1 116.7(3) . .
N2 C1 S1 128.0(2) . .
N1 C1 S1 115.2(2) . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N3 C3 C5 119.3(2) . .
N3 C3 C4 121.9(3) . .
C5 C3 C4 118.6(3) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C3 C5 C6 115.3(2) . .
C3 C5 H5A 108.4 . .
C6 C5 H5A 108.4 . .
C3 C5 H5B 108.4 . .
C6 C5 H5B 108.4 . .
H5A C5 H5B 107.5 . .
C7 C6 C5 111.4(2) . .
C7 C6 H6A 109.3 . .
C5 C6 H6A 109.3 . .
C7 C6 H6B 109.3 . .
C5 C6 H6B 109.3 . .
H6A C6 H6B 108.0 . .
C12 C7 C8 117.4(3) . .
C12 C7 C6 121.1(3) . .
C8 C7 C6 121.4(3) . .
C9 C8 C7 121.4(3) . .
C9 C8 H8 119.3 . .
C7 C8 H8 119.3 . .
C10 C9 C8 120.1(3) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
O1 C10 C9 116.4(2) . .
O1 C10 C11 124.1(2) . .
C9 C10 C11 119.5(3) . .
C12 C11 C10 119.5(3) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C11 C12 C7 122.1(3) . .
C11 C12 H12 119.0 . .
C7 C12 H12 119.0 . .
O1 C13 H13A 109.5 . .
O1 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
O1 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N5 C14 N4 114.7(3) . .
N5 C14 S2 128.2(2) . .
N4 C14 S2 117.1(2) . .
N4 C15 H15A 109.5 . .
N4 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N4 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N6 C16 C17 123.0(2) . .
N6 C16 C18 118.4(3) . .
C17 C16 C18 118.6(2) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 C19 114.1(2) . .
C16 C18 H18A 108.7 . .
C19 C18 H18A 108.7 . .
C16 C18 H18B 108.7 . .
C19 C18 H18B 108.7 . .
H18A C18 H18B 107.6 . .
C20 C19 C18 111.3(2) . .
C20 C19 H19A 109.4 . .
C18 C19 H19A 109.4 . .
C20 C19 H19B 109.4 . .
C18 C19 H19B 109.4 . .
H19A C19 H19B 108.0 . .
C25 C20 C21 117.4(3) . .
C25 C20 C19 121.9(3) . .
C21 C20 C19 120.7(3) . .
C22 C21 C20 121.7(3) . .
C22 C21 H21 119.2 . .
C20 C21 H21 119.2 . .
C21 C22 C23 120.5(3) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
O2 C23 C24 125.4(2) . .
O2 C23 C22 115.8(2) . .
C24 C23 C22 118.9(3) . .
C23 C24 C25 119.8(3) . .
C23 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
C20 C25 C24 121.8(3) . .
C20 C25 H25 119.1 . .
C24 C25 H25 119.1 . .
O2 C26 H26A 109.5 . .
O2 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
O2 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn N6 2.038(2) .
Zn N3 2.065(2) .
Zn S1 2.2680(9) .
Zn S2 2.2739(8) .
S1 C1 1.760(3) .
S2 C14 1.755(3) .
O1 C10 1.375(3) .
O1 C13 1.433(3) .
O2 C23 1.370(3) .
O2 C26 1.436(3) .
N1 C1 1.344(4) .
N1 C2 1.451(4) .
N1 H1N 0.874(10) .
N2 C1 1.308(4) .
N2 N3 1.395(3) .
N3 C3 1.294(4) .
N4 C14 1.361(3) .
N4 C15 1.445(4) .
N4 H4N 0.878(10) .
N5 C14 1.310(3) .
N5 N6 1.398(3) .
N6 C16 1.294(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 C5 1.496(4) .
C3 C4 1.502(4) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.540(4) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.509(4) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C12 1.391(4) .
C7 C8 1.396(4) .
C8 C9 1.386(4) .
C8 H8 0.9500 .
C9 C10 1.389(4) .
C9 H9 0.9500 .
C10 C11 1.392(4) .
C11 C12 1.385(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.495(4) .
C16 C18 1.495(4) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.543(4) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.508(4) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C25 1.382(4) .
C20 C21 1.390(4) .
C21 C22 1.378(4) .
C21 H21 0.9500 .
C22 C23 1.391(4) .
C22 H22 0.9500 .
C23 C24 1.384(4) .
C24 C25 1.397(4) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 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
C1 N2 N3 C3 175.9(2) . . . .
C1 N2 N3 Zn -8.0(3) . . . .
C14 N5 N6 C16 175.1(2) . . . .
C14 N5 N6 Zn -8.5(3) . . . .
N3 N2 C1 N1 -177.5(2) . . . .
N3 N2 C1 S1 5.4(4) . . . .
C2 N1 C1 N2 7.8(4) . . . .
C2 N1 C1 S1 -174.7(2) . . . .
Zn S1 C1 N2 -0.4(3) . . . .
Zn S1 C1 N1 -177.5(2) . . . .
N2 N3 C3 C5 -173.2(2) . . . .
Zn N3 C3 C5 11.2(4) . . . .
N2 N3 C3 C4 2.6(4) . . . .
Zn N3 C3 C4 -173.0(2) . . . .
N3 C3 C5 C6 -114.7(3) . . . .
C4 C3 C5 C6 69.4(4) . . . .
C3 C5 C6 C7 -177.2(2) . . . .
C5 C6 C7 C12 -89.2(3) . . . .
C5 C6 C7 C8 87.8(3) . . . .
C12 C7 C8 C9 -0.5(4) . . . .
C6 C7 C8 C9 -177.6(3) . . . .
C7 C8 C9 C10 -0.1(4) . . . .
C13 O1 C10 C9 -167.8(3) . . . .
C13 O1 C10 C11 13.7(4) . . . .
C8 C9 C10 O1 -177.8(3) . . . .
C8 C9 C10 C11 0.8(4) . . . .
O1 C10 C11 C12 177.5(3) . . . .
C9 C10 C11 C12 -0.9(4) . . . .
C10 C11 C12 C7 0.3(4) . . . .
C8 C7 C12 C11 0.4(4) . . . .
C6 C7 C12 C11 177.5(3) . . . .
N6 N5 C14 N4 -177.4(2) . . . .
N6 N5 C14 S2 1.9(4) . . . .
C15 N4 C14 N5 -164.7(3) . . . .
C15 N4 C14 S2 16.0(4) . . . .
Zn S2 C14 N5 4.5(3) . . . .
Zn S2 C14 N4 -176.2(2) . . . .
N5 N6 C16 C17 -0.8(4) . . . .
Zn N6 C16 C17 -176.6(2) . . . .
N5 N6 C16 C18 -179.6(2) . . . .
Zn N6 C16 C18 4.6(4) . . . .
N6 C16 C18 C19 -110.9(3) . . . .
C17 C16 C18 C19 70.2(3) . . . .
C16 C18 C19 C20 -178.1(2) . . . .
C18 C19 C20 C25 109.8(3) . . . .
C18 C19 C20 C21 -68.1(3) . . . .
C25 C20 C21 C22 0.0(4) . . . .
C19 C20 C21 C22 178.0(3) . . . .
C20 C21 C22 C23 0.2(5) . . . .
C26 O2 C23 C24 8.4(4) . . . .
C26 O2 C23 C22 -170.5(2) . . . .
C21 C22 C23 O2 178.8(3) . . . .
C21 C22 C23 C24 -0.1(4) . . . .
O2 C23 C24 C25 -179.1(3) . . . .
C22 C23 C24 C25 -0.3(4) . . . .
C21 C20 C25 C24 -0.5(4) . . . .
C19 C20 C25 C24 -178.4(3) . . . .
C23 C24 C25 C20 0.6(4) . . . .
