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#$Date: 2022-09-27 12:40:05 +0300 (Tue, 27 Sep 2022) $
#$Revision: 278216 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/58/8105885.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_8105885
loop_
_publ_author_name
'Tan, Yee Seng'
'Tiekink, Edward R.T.'
_publ_section_title
;
 Crystal structure of
 catena-{poly[bis(O,O′-diethyldithiophosphato-S)-(μ2-1,2-bis(4-pyridylmethylene)hydrazine-N,N′)-zinc(II)]
 di-acetonitrile solvate}, {C20H30N4O4P2S4Zn ⋅ 2 C2H3N}n
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              895
_journal_page_last               897
_journal_paper_doi               10.1515/ncrs-2019-0116
_journal_volume                  234
_journal_year                    2019
_chemical_formula_moiety         'C20 H30 N4 O4 P2 S4 Zn, 2(C2 H3 N)'
_chemical_formula_sum            'C24 H36 N6 O4 P2 S4 Zn'
_chemical_formula_weight         728.14
_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   geom
_cell_angle_alpha                64.738(2)
_cell_angle_beta                 72.181(2)
_cell_angle_gamma                76.681(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2847(2)
_cell_length_b                   12.6967(3)
_cell_length_c                   13.6595(3)
_cell_measurement_reflns_used    25905
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.0360
_cell_measurement_theta_min      3.8710
_cell_volume                     1673.68(7)
_computing_cell_refinement       'CrysAlisPro [1]'
_computing_data_collection       'CrysAlisPro [1]'
_computing_data_reduction        'CrysAlisPro [1]'
_computing_molecular_graphics    'ORTEP-3 for Windows [4]'
_computing_publication_material  'SHELXL-2017/1 [3]'
_computing_structure_refinement  'SHELXL-2017/1 [3]'
_computing_structure_solution    'SHELXT 2014/5 [2]'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.2558
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            36948
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.071
_diffrn_reflns_theta_max         67.071
_diffrn_reflns_theta_min         3.682
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    4.585
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'CrysAlisPro [1]'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_description       prism
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.206
_exptl_crystal_size_mid          0.109
_exptl_crystal_size_min          0.107
_refine_diff_density_max         0.891
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5995
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0225
_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)+(0.0265P)²+1.2574P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0582
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5730
_reflns_number_total             5995
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0116_suppl.cif
_cod_data_source_block           shelx
_cod_database_code               8105885
_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   0.452
_shelx_estimated_absorpt_t_max   0.640
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 0.36954(2) 0.36824(2) 0.39290(2) 0.01202(6) Uani 1 1 d . . . . .
S1 S 0.23479(4) 0.25914(3) 0.39044(3) 0.01609(9) Uani 1 1 d . . . . .
S2 S 0.44385(4) 0.31226(4) 0.14029(3) 0.02028(9) Uani 1 1 d . . . . .
S3 S 0.30974(4) 0.42341(3) 0.54632(3) 0.01496(9) Uani 1 1 d . . . . .
S4 S 0.38117(4) 0.13012(3) 0.67850(3) 0.01831(9) Uani 1 1 d . . . . .
P1 P 0.27842(4) 0.27156(3) 0.23001(3) 0.01397(9) Uani 1 1 d . . . . .
P2 P 0.26007(4) 0.26812(3) 0.66833(3) 0.01314(9) Uani 1 1 d . . . . .
O1 O 0.17459(11) 0.36124(10) 0.17050(10) 0.0194(2) Uani 1 1 d . . . . .
O2 O 0.24593(10) 0.15270(9) 0.23711(9) 0.0173(2) Uani 1 1 d . . . . .
O3 O 0.22195(11) 0.30000(9) 0.77577(9) 0.0170(2) Uani 1 1 d . . . . .
O4 O 0.13372(10) 0.24194(9) 0.65770(9) 0.0171(2) Uani 1 1 d . . . . .
N1 N 0.54321(12) 0.27137(11) 0.39660(11) 0.0141(3) Uani 1 1 d . . . . .
N2 N 0.95302(13) 0.04823(12) 0.48961(12) 0.0184(3) Uani 1 1 d . . . . .
N3 N 0.38850(12) 0.53304(11) 0.27162(11) 0.0134(3) Uani 1 1 d . . . . .
N4 N 0.49900(13) 0.94340(11) 0.04248(11) 0.0170(3) Uani 1 1 d . . . . .
N5 N 0.13990(18) 0.66076(17) 0.96912(18) 0.0445(5) Uani 1 1 d . . . . .
N6 N 1.11947(17) -0.07987(16) 0.07853(17) 0.0408(4) Uani 1 1 d . . . . .
C1 C 0.04195(16) 0.34375(16) 0.21888(16) 0.0241(4) Uani 1 1 d . . . . .
H1A H 0.032927 0.273662 0.289388 0.029 Uiso 1 1 calc R U . . .
H1B H 0.007302 0.331212 0.166792 0.029 Uiso 1 1 calc R U . . .
C2 C -0.0273(2) 0.44934(18) 0.2404(2) 0.0418(5) Uani 1 1 d . . . . .
H2A H -0.117089 0.441069 0.267596 0.063 Uiso 1 1 calc R U . . .
H2B H -0.013376 0.519058 0.171264 0.063 Uiso 1 1 calc R U . . .
H2C H 0.002783 0.457531 0.296666 0.063 Uiso 1 1 calc R U . . .
C3 C 0.33081(16) 0.04584(14) 0.26961(14) 0.0189(3) Uani 1 1 d . . . . .
H3A H 0.344472 0.027818 0.343627 0.023 Uiso 1 1 calc R U . . .
H3B H 0.412775 0.054799 0.214865 0.023 Uiso 1 1 calc R U . . .
C4 C 0.27153(17) -0.05114(15) 0.27361(15) 0.0235(4) Uani 1 1 d . . . . .
H4A H 0.326712 -0.124904 0.295402 0.035 Uiso 1 1 calc R U . . .
H4B H 0.258642 -0.032382 0.199909 0.035 Uiso 1 1 calc R U . . .
H4C H 0.190628 -0.059253 0.328134 0.035 Uiso 1 1 calc R U . . .
C5 C 0.17875(19) 0.20868(16) 0.88552(14) 0.0248(4) Uani 1 1 d . . . . .
H5A H 0.229800 0.132644 0.890510 0.030 Uiso 1 1 calc R U . . .
H5B H 0.090138 0.199753 0.896697 0.030 Uiso 1 1 calc R U . . .
C6 C 0.19155(17) 0.24412(16) 0.97293(14) 0.0228(4) Uani 1 1 d . . . . .
H6A H 0.162991 0.184123 1.046802 0.034 Uiso 1 1 calc R U . . .
H6B H 0.140450 0.319232 0.967611 0.034 Uiso 1 1 calc R U . . .
H6C H 0.279576 0.252198 0.961565 0.034 Uiso 1 1 calc R U . . .
C7 C 0.02414(17) 0.32960(16) 0.64874(17) 0.0266(4) Uani 1 1 d . . . . .
H7A H 0.048823 0.406397 0.591597 0.032 Uiso 1 1 calc R U . . .
H7B H -0.013492 0.338386 0.720901 0.032 Uiso 1 1 calc R U . . .
C8 C -0.06881(17) 0.29051(18) 0.61691(17) 0.0293(4) Uani 1 1 d . . . . .
H8A H -0.140728 0.351011 0.605847 0.044 Uiso 1 1 calc R U . . .
H8B H -0.097240 0.217280 0.676360 0.044 Uiso 1 1 calc R U . . .
H8C H -0.029327 0.277624 0.547664 0.044 Uiso 1 1 calc R U . . .
C9 C 0.56162(16) 0.16826(14) 0.38555(14) 0.0176(3) Uani 1 1 d . . . . .
H9 H 0.498765 0.148442 0.365428 0.021 Uiso 1 1 calc R U . . .
C10 C 0.66789(16) 0.08988(14) 0.40218(14) 0.0181(3) Uani 1 1 d . . . . .
H10 H 0.677403 0.017762 0.393576 0.022 Uiso 1 1 calc R U . . .
C11 C 0.76067(15) 0.11732(14) 0.43154(13) 0.0149(3) Uani 1 1 d . . . . .
C12 C 0.74283(15) 0.22512(14) 0.44183(14) 0.0171(3) Uani 1 1 d . . . . .
H12 H 0.805142 0.247775 0.460179 0.021 Uiso 1 1 calc R U . . .
C13 C 0.63360(15) 0.29795(14) 0.42496(14) 0.0166(3) Uani 1 1 d . . . . .
H13 H 0.621354 0.370306 0.433719 0.020 Uiso 1 1 calc R U . . .
C14 C 0.87041(15) 0.03032(14) 0.45404(13) 0.0167(3) Uani 1 1 d . . . . .
H14 H 0.879863 -0.039831 0.441983 0.020 Uiso 1 1 calc R U . . .
C15 C 0.32950(15) 0.58031(13) 0.18764(13) 0.0150(3) Uani 1 1 d . . . . .
H15 H 0.278337 0.534234 0.182018 0.018 Uiso 1 1 calc R U . . .
C16 C 0.34066(15) 0.69352(14) 0.10925(13) 0.0156(3) Uani 1 1 d . . . . .
H16 H 0.297096 0.724345 0.051494 0.019 Uiso 1 1 calc R U . . .
C17 C 0.41625(15) 0.76200(13) 0.11561(13) 0.0139(3) Uani 1 1 d . . . . .
C18 C 0.47594(15) 0.71347(14) 0.20364(13) 0.0152(3) Uani 1 1 d . . . . .
H18 H 0.527312 0.757754 0.211425 0.018 Uiso 1 1 calc R U . . .
C19 C 0.45930(15) 0.60071(14) 0.27886(13) 0.0151(3) Uani 1 1 d . . . . .
H19 H 0.499589 0.568848 0.338864 0.018 Uiso 1 1 calc R U . . .
C20 C 0.43083(15) 0.88201(14) 0.03285(13) 0.0155(3) Uani 1 1 d . . . . .
H20 H 0.390281 0.913673 -0.026980 0.019 Uiso 1 1 calc R U . . .
C21 C 0.21585(19) 0.59990(17) 0.93470(17) 0.0291(4) Uani 1 1 d . . . . .
C22 C 0.31250(18) 0.52305(17) 0.89175(16) 0.0300(4) Uani 1 1 d . . . . .
H22A H 0.339860 0.456145 0.953821 0.045 Uiso 1 1 calc R U . . .
H22B H 0.383920 0.566160 0.842211 0.045 Uiso 1 1 calc R U . . .
H22C H 0.279202 0.494782 0.850125 0.045 Uiso 1 1 calc R U . . .
C23 C 1.0354(2) -0.02649(18) 0.11918(17) 0.0332(5) Uani 1 1 d . . . . .
C24 C 0.9283(2) 0.04170(19) 0.16674(18) 0.0394(5) Uani 1 1 d . . . . .
H24A H 0.861349 -0.008259 0.213589 0.059 Uiso 1 1 calc R U . . .
H24B H 0.897335 0.108283 0.106446 0.059 Uiso 1 1 calc R U . . .
H24C H 0.954489 0.070652 0.211969 0.059 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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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
N3 Zn N1 109.77(5) . .
N3 Zn S1 118.58(4) . .
N1 Zn S1 108.83(4) . .
N3 Zn S3 97.00(4) . .
N1 Zn S3 106.93(4) . .
S1 Zn S3 114.816(16) . .
P1 S1 Zn 104.89(2) . .
P2 S3 Zn 98.911(19) . .
O1 P1 O2 99.82(6) . .
O1 P1 S2 110.05(5) . .
O2 P1 S2 114.37(5) . .
O1 P1 S1 108.32(5) . .
O2 P1 S1 105.44(5) . .
S2 P1 S1 117.29(2) . .
O3 P2 O4 105.69(6) . .
O3 P2 S4 114.24(5) . .
O4 P2 S4 107.81(5) . .
O3 P2 S3 100.95(4) . .
O4 P2 S3 109.61(5) . .
S4 P2 S3 117.82(3) . .
C1 O1 P1 120.11(11) . .
C3 O2 P1 120.13(10) . .
C5 O3 P2 118.74(10) . .
C7 O4 P2 120.93(10) . .
C9 N1 C13 117.67(14) . .
C9 N1 Zn 118.54(11) . .
C13 N1 Zn 123.12(11) . .
C14 N2 N2 111.25(16) . 2_756
C15 N3 C19 117.75(13) . .
C15 N3 Zn 123.81(10) . .
C19 N3 Zn 118.36(10) . .
C20 N4 N4 111.64(16) . 2_675
O1 C1 C2 108.80(15) . .
O1 C1 H1A 109.9 . .
C2 C1 H1A 109.9 . .
O1 C1 H1B 109.9 . .
C2 C1 H1B 109.9 . .
H1A C1 H1B 108.3 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
O2 C3 C4 107.37(13) . .
O2 C3 H3A 110.2 . .
C4 C3 H3A 110.2 . .
O2 C3 H3B 110.2 . .
C4 C3 H3B 110.2 . .
H3A C3 H3B 108.5 . .
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 . .
O3 C5 C6 108.38(14) . .
O3 C5 H5A 110.0 . .
C6 C5 H5A 110.0 . .
O3 C5 H5B 110.0 . .
C6 C5 H5B 110.0 . .
H5A C5 H5B 108.4 . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O4 C7 C8 108.54(14) . .
O4 C7 H7A 110.0 . .
C8 C7 H7A 110.0 . .
O4 C7 H7B 110.0 . .
C8 C7 H7B 110.0 . .
H7A C7 H7B 108.4 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N1 C9 C10 122.82(15) . .
N1 C9 H9 118.6 . .
C10 C9 H9 118.6 . .
C9 C10 C11 119.41(15) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
C10 C11 C12 118.07(14) . .
C10 C11 C14 118.58(14) . .
C12 C11 C14 123.32(14) . .
C13 C12 C11 118.97(15) . .
C13 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
N1 C13 C12 123.04(15) . .
N1 C13 H13 118.5 . .
C12 C13 H13 118.5 . .
N2 C14 C11 120.55(15) . .
N2 C14 H14 119.7 . .
C11 C14 H14 119.7 . .
N3 C15 C16 122.43(14) . .
N3 C15 H15 118.8 . .
C16 C15 H15 118.8 . .
C15 C16 C17 119.56(14) . .
C15 C16 H16 120.2 . .
C17 C16 H16 120.2 . .
C16 C17 C18 117.94(14) . .
C16 C17 C20 120.71(14) . .
C18 C17 C20 121.34(14) . .
C19 C18 C17 119.07(14) . .
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
N3 C19 C18 123.22(14) . .
N3 C19 H19 118.4 . .
C18 C19 H19 118.4 . .
N4 C20 C17 119.08(14) . .
N4 C20 H20 120.5 . .
C17 C20 H20 120.5 . .
N5 C21 C22 179.5(2) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N6 C23 C24 178.0(2) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn N3 2.0493(13) .
Zn N1 2.0624(13) .
Zn S1 2.2964(4) .
Zn S3 2.3468(4) .
S1 P1 2.0372(6) .
S2 P1 1.9385(6) .
S3 P2 2.0278(5) .
S4 P2 1.9396(6) .
P1 O1 1.5838(11) .
P1 O2 1.5905(11) .
P2 O3 1.5946(11) .
P2 O4 1.5972(11) .
O1 C1 1.466(2) .
O2 C3 1.4501(19) .
O3 C5 1.469(2) .
O4 C7 1.458(2) .
N1 C9 1.343(2) .
N1 C13 1.348(2) .
N2 C14 1.275(2) .
N2 N2 1.412(3) 2_756
N3 C15 1.347(2) .
N3 C19 1.350(2) .
N4 C20 1.281(2) .
N4 N4 1.410(3) 2_675
N5 C21 1.145(3) .
N6 C23 1.171(3) .
C1 C2 1.486(3) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 C4 1.505(2) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.498(2) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.496(2) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.380(2) .
C9 H9 0.9500 .
C10 C11 1.387(2) .
C10 H10 0.9500 .
C11 C12 1.398(2) .
C11 C14 1.470(2) .
C12 C13 1.376(2) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.384(2) .
C15 H15 0.9500 .
C16 C17 1.394(2) .
C16 H16 0.9500 .
C17 C18 1.397(2) .
C17 C20 1.469(2) .
C18 C19 1.375(2) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.446(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.466(3) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 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
O2 P1 O1 C1 55.24(12) . . . .
S2 P1 O1 C1 175.83(10) . . . .
S1 P1 O1 C1 -54.75(12) . . . .
O1 P1 O2 C3 169.59(12) . . . .
S2 P1 O2 C3 52.18(12) . . . .
S1 P1 O2 C3 -78.15(12) . . . .
O4 P2 O3 C5 65.78(13) . . . .
S4 P2 O3 C5 -52.58(13) . . . .
S3 P2 O3 C5 179.94(11) . . . .
O3 P2 O4 C7 57.30(14) . . . .
S4 P2 O4 C7 179.87(12) . . . .
S3 P2 O4 C7 -50.72(13) . . . .
P1 O1 C1 C2 122.04(15) . . . .
P1 O2 C3 C4 177.41(11) . . . .
P2 O3 C5 C6 160.62(12) . . . .
P2 O4 C7 C8 168.61(12) . . . .
C13 N1 C9 C10 0.1(2) . . . .
Zn N1 C9 C10 -170.80(13) . . . .
N1 C9 C10 C11 0.0(3) . . . .
C9 C10 C11 C12 -0.8(2) . . . .
C9 C10 C11 C14 177.15(15) . . . .
C10 C11 C12 C13 1.4(2) . . . .
C14 C11 C12 C13 -176.39(15) . . . .
C9 N1 C13 C12 0.6(2) . . . .
Zn N1 C13 C12 171.07(12) . . . .
C11 C12 C13 N1 -1.4(3) . . . .
N2 N2 C14 C11 177.34(16) 2_756 . . .
C10 C11 C14 N2 -174.54(16) . . . .
C12 C11 C14 N2 3.3(2) . . . .
C19 N3 C15 C16 0.9(2) . . . .
Zn N3 C15 C16 177.59(12) . . . .
N3 C15 C16 C17 0.6(2) . . . .
C15 C16 C17 C18 -1.5(2) . . . .
C15 C16 C17 C20 179.36(15) . . . .
C16 C17 C18 C19 0.9(2) . . . .
C20 C17 C18 C19 -179.97(15) . . . .
C15 N3 C19 C18 -1.6(2) . . . .
Zn N3 C19 C18 -178.42(12) . . . .
C17 C18 C19 N3 0.7(2) . . . .
N4 N4 C20 C17 -178.97(16) 2_675 . . .
C16 C17 C20 N4 178.59(15) . . . .
C18 C17 C20 N4 -0.6(2) . . . .
