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#$Date: 2024-08-05 22:50:58 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293917 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/33/7063316.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_7063316
loop_
_publ_author_name
'Kwon, Hyoung Soon'
'Park, Geon Hyeong'
'Ju, Huiyeong'
'Lee, Eunji'
'Kim, Yong-Joo'
_publ_section_title
;
 Facile formation of tetrazole--thiolato Pd(ii) and Pt(ii) complexes
 through deprotonation or oxidative addition using organic
 tetrazole--thiones
;
_journal_issue                   30
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13358
_journal_page_last               13372
_journal_paper_doi               10.1039/D4NJ01429D
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C10 H24 N4 P2 Pt S, C H2 Cl2 '
_chemical_formula_sum            'C11 H26 Cl2 N4 P2 Pt S'
_chemical_formula_weight         574.35
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-03-07 deposited with the CCDC.	2024-06-27 downloaded from the CCDC.
;
_cell_angle_alpha                104.35(2)
_cell_angle_beta                 99.31(2)
_cell_angle_gamma                99.89(2)
_cell_formula_units_Z            4
_cell_length_a                   11.205(7)
_cell_length_b                   11.285(7)
_cell_length_c                   17.208(13)
_cell_measurement_reflns_used    7130
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.50
_cell_volume                     2029(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0580
_diffrn_reflns_av_unetI/netI     0.0271
_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       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            78215
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.889
_exptl_absorpt_coefficient_mu    7.439
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.151
_exptl_crystal_size_mid          0.099
_exptl_crystal_size_min          0.072
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.6137
_refine_diff_density_max         1.859
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         7953
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0312
_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)+(0.0353P)²+9.2865P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0781
_refine_ls_wR_factor_ref         0.0813
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7054
_reflns_number_total             7953
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nj01429d2.cif
_cod_data_source_block           aaa
_cod_depositor_comments
'Adding full bibliography for 7063314--7063321.cif.'
_cod_database_code               7063316
_shelx_shelxl_version_number     2014/7
_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   0.400
_shelx_estimated_absorpt_t_max   0.616
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
Pt1 Pt 0.14984(2) 0.24372(2) 0.02464(2) 0.02897(7) Uani 1 1 d . . . . .
Pt2 Pt 0.24090(2) 0.64962(2) 0.53132(2) 0.02776(7) Uani 1 1 d . . . . .
S1 S -0.04924(16) 0.2810(2) -0.00273(12) 0.0521(5) Uani 1 1 d . . . . .
S2 S 0.28032(18) 0.44844(15) 0.49191(10) 0.0421(4) Uani 1 1 d . . . . .
N1 N -0.1067(5) 0.1631(6) 0.1145(4) 0.0512(15) Uani 1 1 d . . . . .
N2 N -0.2000(7) 0.1451(8) 0.1536(5) 0.076(2) Uani 1 1 d . . . . .
N3 N -0.2827(6) 0.1965(7) 0.1246(4) 0.0632(19) Uani 1 1 d . . . . .
N4 N -0.2470(5) 0.2474(7) 0.0662(4) 0.0561(17) Uani 1 1 d . . . . .
N5 N 0.2360(7) 0.2501(5) 0.5534(4) 0.0541(16) Uani 1 1 d . . . . .
N6 N 0.2156(9) 0.2287(7) 0.6240(5) 0.083(2) Uani 1 1 d . U . . .
N7 N 0.2442(8) 0.3394(8) 0.6832(5) 0.082(2) Uani 1 1 d . U . . .
N8 N 0.2678(7) 0.4297(6) 0.6433(4) 0.0613(17) Uani 1 1 d . . . . .
P1 P 0.33889(14) 0.20274(16) 0.05608(10) 0.0358(4) Uani 1 1 d . . . . .
P2 P 0.17551(15) 0.29558(16) -0.09623(10) 0.0356(3) Uani 1 1 d . . . . .
P3 P 0.19137(16) 0.83753(15) 0.56971(10) 0.0365(4) Uani 1 1 d . . . . .
P4 P 0.31664(15) 0.68272(15) 0.41828(10) 0.0345(3) Uani 1 1 d . . . . .
C1 C -0.1338(6) 0.2342(7) 0.0631(4) 0.0406(15) Uani 1 1 d . . . . .
C2 C 0.0071(7) 0.1146(7) 0.1311(5) 0.0529(18) Uani 1 1 d . . . . .
H2A H 0.0020 0.0386 0.0871 0.064 Uiso 1 1 calc R U . . .
H2B H 0.0120 0.0919 0.1828 0.064 Uiso 1 1 calc R U . . .
C3 C 0.1226(5) 0.2098(6) 0.1369(4) 0.0343(13) Uani 1 1 d . . . . .
H3A H 0.1946 0.1792 0.1593 0.041 Uiso 1 1 calc R U . . .
C4 C 0.1207(9) 0.3358(8) 0.2000(5) 0.065(2) Uani 1 1 d . . . . .
H4A H 0.1946 0.3982 0.2044 0.098 Uiso 1 1 calc R U . . .
H4B H 0.0478 0.3651 0.1813 0.098 Uiso 1 1 calc R U . . .
H4C H 0.1186 0.3220 0.2532 0.098 Uiso 1 1 calc R U . . .
C5 C 0.4443(7) 0.3245(9) 0.1371(6) 0.085(3) Uani 1 1 d . . . . .
H5A H 0.4039 0.3491 0.1825 0.127 Uiso 1 1 calc R U . . .
H5B H 0.5167 0.2944 0.1555 0.127 Uiso 1 1 calc R U . . .
H5C H 0.4694 0.3963 0.1173 0.127 Uiso 1 1 calc R U . . .
C6 C 0.3435(9) 0.0636(9) 0.0917(6) 0.074(3) Uani 1 1 d . . . . .
H6A H 0.2884 -0.0090 0.0513 0.111 Uiso 1 1 calc R U . . .
H6B H 0.4275 0.0506 0.0992 0.111 Uiso 1 1 calc R U . . .
H6C H 0.3171 0.0754 0.1435 0.111 Uiso 1 1 calc R U . . .
C7 C 0.4255(8) 0.1669(11) -0.0233(6) 0.085(3) Uani 1 1 d . . . . .
H7A H 0.3738 0.1007 -0.0699 0.128 Uiso 1 1 calc R U . . .
H7B H 0.4510 0.2412 -0.0404 0.128 Uiso 1 1 calc R U . . .
H7C H 0.4983 0.1394 -0.0021 0.128 Uiso 1 1 calc R U . . .
C8 C 0.3104(8) 0.4148(8) -0.0882(5) 0.061(2) Uani 1 1 d . . . . .
H8A H 0.3145 0.4878 -0.0432 0.091 Uiso 1 1 calc R U . . .
H8B H 0.3845 0.3824 -0.0782 0.091 Uiso 1 1 calc R U . . .
H8C H 0.3048 0.4382 -0.1391 0.091 Uiso 1 1 calc R U . . .
C9 C 0.1794(8) 0.1661(7) -0.1817(4) 0.057(2) Uani 1 1 d . . . . .
H9A H 0.1089 0.0978 -0.1898 0.085 Uiso 1 1 calc R U . . .
H9B H 0.1759 0.1935 -0.2311 0.085 Uiso 1 1 calc R U . . .
H9C H 0.2556 0.1377 -0.1701 0.085 Uiso 1 1 calc R U . . .
C10 C 0.0570(9) 0.3637(10) -0.1423(6) 0.076(3) Uani 1 1 d . . . . .
H10A H -0.0239 0.3092 -0.1509 0.113 Uiso 1 1 calc R U . . .
H10B H 0.0591 0.4453 -0.1060 0.113 Uiso 1 1 calc R U . . .
H10C H 0.0723 0.3730 -0.1946 0.113 Uiso 1 1 calc R U . . .
C11 C 0.2515(8) 0.3715(6) 0.5622(4) 0.0495(18) Uani 1 1 d . . . . .
C12 C 0.2856(8) 0.5686(8) 0.6873(5) 0.060(2) Uani 1 1 d . . . . .
H12A H 0.2744 0.5794 0.7437 0.072 Uiso 1 1 calc R U . . .
H12B H 0.3695 0.6137 0.6892 0.072 Uiso 1 1 calc R U . . .
C13 C 0.1902(6) 0.6197(6) 0.6401(4) 0.0347(13) Uani 1 1 d . . . . .
H13A H 0.1881 0.7025 0.6759 0.042 Uiso 1 1 calc R U . . .
C14 C 0.0645(8) 0.5367(9) 0.6250(6) 0.076(3) Uani 1 1 d . . . . .
H14A H 0.0037 0.5697 0.5948 0.114 Uiso 1 1 calc R U . . .
H14B H 0.0648 0.4528 0.5932 0.114 Uiso 1 1 calc R U . . .
H14C H 0.0434 0.5339 0.6771 0.114 Uiso 1 1 calc R U . . .
C15 C 0.3114(7) 0.9529(7) 0.6469(5) 0.063(2) Uani 1 1 d . . . . .
H15A H 0.3378 0.9182 0.6914 0.095 Uiso 1 1 calc R U . . .
H15B H 0.3814 0.9762 0.6230 0.095 Uiso 1 1 calc R U . . .
H15C H 0.2797 1.0265 0.6681 0.095 Uiso 1 1 calc R U . . .
C16 C 0.0573(8) 0.8457(8) 0.6163(6) 0.065(2) Uani 1 1 d . . . . .
H16A H -0.0149 0.7864 0.5797 0.098 Uiso 1 1 calc R U . . .
H16B H 0.0728 0.8253 0.6680 0.098 Uiso 1 1 calc R U . . .
H16C H 0.0426 0.9299 0.6261 0.098 Uiso 1 1 calc R U . . .
C17 C 0.1525(10) 0.9159(8) 0.4918(5) 0.076(3) Uani 1 1 d . . . . .
H17A H 0.0876 0.8595 0.4472 0.113 Uiso 1 1 calc R U . . .
H17B H 0.1238 0.9902 0.5157 0.113 Uiso 1 1 calc R U . . .
H17C H 0.2254 0.9400 0.4707 0.113 Uiso 1 1 calc R U . . .
C18 C 0.4334(8) 0.8272(8) 0.4388(5) 0.064(2) Uani 1 1 d . . . . .
H18A H 0.4977 0.8341 0.4858 0.096 Uiso 1 1 calc R U . . .
H18B H 0.4697 0.8257 0.3912 0.096 Uiso 1 1 calc R U . . .
H18C H 0.3949 0.8985 0.4502 0.096 Uiso 1 1 calc R U . . .
C19 C 0.4020(7) 0.5700(7) 0.3714(5) 0.0531(18) Uani 1 1 d . . . . .
H19A H 0.3509 0.4859 0.3565 0.080 Uiso 1 1 calc R U . . .
H19B H 0.4231 0.5887 0.3225 0.080 Uiso 1 1 calc R U . . .
H19C H 0.4774 0.5757 0.4102 0.080 Uiso 1 1 calc R U . . .
C20 C 0.2024(7) 0.6813(7) 0.3292(4) 0.0484(17) Uani 1 1 d . . . . .
H20A H 0.1369 0.6063 0.3148 0.073 Uiso 1 1 calc R U . . .
H20B H 0.1674 0.7548 0.3423 0.073 Uiso 1 1 calc R U . . .
H20C H 0.2422 0.6821 0.2833 0.073 Uiso 1 1 calc R U . . .
C21 C 0.6715(7) 0.2588(7) 0.8658(5) 0.0534(18) Uani 1 1 d . . . . .
H21A H 0.6603 0.2411 0.9174 0.064 Uiso 1 1 calc R U . . .
H21B H 0.7365 0.2182 0.8472 0.064 Uiso 1 1 calc R U . . .
Cl1 Cl 0.7192(3) 0.4204(2) 0.88357(14) 0.0754(6) Uani 1 1 d . . . . .
Cl2 Cl 0.5329(2) 0.1953(3) 0.79231(15) 0.1040(11) Uani 1 1 d . . . . .
C22 C 0.2641(7) 0.1508(8) 0.3544(5) 0.059(2) Uani 1 1 d . . . . .
H22A H 0.2142 0.2071 0.3377 0.071 Uiso 1 1 calc R U . . .
H22B H 0.2593 0.1530 0.4111 0.071 Uiso 1 1 calc R U . . .
Cl3 Cl 0.4181(2) 0.2068(3) 0.35172(19) 0.0919(8) Uani 1 1 d . . . . .
Cl4 Cl 0.2006(3) -0.0015(2) 0.29131(15) 0.0821(7) Uani 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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'
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
C3 Pt1 P1 86.07(16) . . ?
C3 Pt1 S1 90.99(16) . . ?
P1 Pt1 S1 176.92(6) . . ?
C3 Pt1 P2 175.69(17) . . ?
P1 Pt1 P2 96.59(6) . . ?
S1 Pt1 P2 86.40(6) . . ?
C13 Pt2 P3 86.27(17) . . ?
C13 Pt2 P4 174.27(17) . . ?
P3 Pt2 P4 95.93(7) . . ?
C13 Pt2 S2 91.72(17) . . ?
P3 Pt2 S2 176.51(6) . . ?
P4 Pt2 S2 86.33(6) . . ?
C1 S1 Pt1 110.2(2) . . ?
C11 S2 Pt2 110.1(2) . . ?
N2 N1 C1 109.2(6) . . ?
N2 N1 C2 122.2(6) . . ?
C1 N1 C2 128.6(6) . . ?
N3 N2 N1 106.3(6) . . ?
N2 N3 N4 110.8(6) . . ?
C1 N4 N3 107.7(6) . . ?
C11 N5 N6 108.4(6) . . ?
N5 N6 N7 108.8(7) . . ?
N6 N7 N8 105.3(7) . . ?
C11 N8 N7 108.2(7) . . ?
C11 N8 C12 129.7(6) . . ?
N7 N8 C12 121.3(7) . . ?
C5 P1 C7 104.6(5) . . ?
C5 P1 C6 103.0(5) . . ?
C7 P1 C6 97.7(4) . . ?
C5 P1 Pt1 113.5(3) . . ?
C7 P1 Pt1 119.6(3) . . ?
C6 P1 Pt1 116.1(3) . . ?
C8 P2 C9 104.8(4) . . ?
C8 P2 C10 99.0(5) . . ?
C9 P2 C10 101.8(4) . . ?
C8 P2 Pt1 116.6(3) . . ?
C9 P2 Pt1 115.5(3) . . ?
C10 P2 Pt1 116.7(3) . . ?
C15 P3 C17 104.1(5) . . ?
C15 P3 C16 101.6(4) . . ?
C17 P3 C16 99.0(4) . . ?
C15 P3 Pt2 113.1(3) . . ?
C17 P3 Pt2 118.6(3) . . ?
C16 P3 Pt2 117.8(3) . . ?
C18 P4 C20 105.0(4) . . ?
C18 P4 C19 99.2(4) . . ?
C20 P4 C19 101.4(4) . . ?
C18 P4 Pt2 115.5(3) . . ?
C20 P4 Pt2 116.7(3) . . ?
C19 P4 Pt2 116.6(3) . . ?
N4 C1 N1 105.6(6) . . ?
N4 C1 S1 125.4(5) . . ?
N1 C1 S1 128.5(5) . . ?
N1 C2 C3 111.9(6) . . ?
N1 C2 H2A 109.2 . . ?
C3 C2 H2A 109.2 . . ?
N1 C2 H2B 109.2 . . ?
C3 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C2 C3 C4 108.4(6) . . ?
C2 C3 Pt1 115.6(5) . . ?
C4 C3 Pt1 109.6(4) . . ?
C2 C3 H3A 107.6 . . ?
C4 C3 H3A 107.6 . . ?
Pt1 C3 H3A 107.6 . . ?
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 . . ?
P1 C5 H5A 109.5 . . ?
P1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
P1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P1 C6 H6A 109.5 . . ?
P1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
P1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P1 C7 H7A 109.5 . . ?
P1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
P1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P2 C8 H8A 109.5 . . ?
P2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
P2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P2 C9 H9A 109.5 . . ?
P2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
P2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P2 C10 H10A 109.5 . . ?
P2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
P2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N5 C11 N8 107.5(6) . . ?
N5 C11 S2 127.7(5) . . ?
N8 C11 S2 123.4(5) . . ?
C13 C12 N8 107.8(6) . . ?
C13 C12 H12A 110.1 . . ?
N8 C12 H12A 110.1 . . ?
C13 C12 H12B 110.1 . . ?
N8 C12 H12B 110.1 . . ?
H12A C12 H12B 108.5 . . ?
C14 C13 C12 109.7(7) . . ?
C14 C13 Pt2 113.5(5) . . ?
C12 C13 Pt2 111.8(5) . . ?
C14 C13 H13A 107.2 . . ?
C12 C13 H13A 107.2 . . ?
Pt2 C13 H13A 107.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
P3 C15 H15A 109.5 . . ?
P3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
P3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
P3 C16 H16A 109.5 . . ?
P3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
P3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
P3 C17 H17A 109.5 . . ?
P3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
P3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P4 C18 H18A 109.5 . . ?
P4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
P4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P4 C19 H19A 109.5 . . ?
P4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
P4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P4 C20 H20A 109.5 . . ?
P4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
P4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Cl1 C21 Cl2 112.4(4) . . ?
Cl1 C21 H21A 109.1 . . ?
Cl2 C21 H21A 109.1 . . ?
Cl1 C21 H21B 109.1 . . ?
Cl2 C21 H21B 109.1 . . ?
H21A C21 H21B 107.9 . . ?
Cl3 C22 Cl4 113.8(5) . . ?
Cl3 C22 H22A 108.8 . . ?
Cl4 C22 H22A 108.8 . . ?
Cl3 C22 H22B 108.8 . . ?
Cl4 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
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
Pt1 C3 2.118(6) . ?
Pt1 P1 2.2547(19) . ?
Pt1 S1 2.336(2) . ?
Pt1 P2 2.343(2) . ?
Pt2 C13 2.129(6) . ?
Pt2 P3 2.252(2) . ?
Pt2 P4 2.330(2) . ?
Pt2 S2 2.343(2) . ?
S1 C1 1.712(7) . ?
S2 C11 1.694(7) . ?
N1 N2 1.345(8) . ?
N1 C1 1.365(9) . ?
N1 C2 1.485(9) . ?
N2 N3 1.274(9) . ?
N3 N4 1.355(9) . ?
N4 C1 1.311(8) . ?
N5 C11 1.319(8) . ?
N5 N6 1.342(9) . ?
N6 N7 1.352(11) . ?
N7 N8 1.377(10) . ?
N8 C11 1.355(9) . ?
N8 C12 1.525(10) . ?
P1 C5 1.785(8) . ?
P1 C7 1.806(8) . ?
P1 C6 1.827(8) . ?
P2 C8 1.805(7) . ?
P2 C9 1.811(7) . ?
P2 C10 1.815(8) . ?
P3 C15 1.798(8) . ?
P3 C17 1.818(7) . ?
P3 C16 1.819(8) . ?
P4 C18 1.824(7) . ?
P4 C20 1.826(7) . ?
P4 C19 1.828(7) . ?
C2 C3 1.506(9) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C4 1.566(10) . ?
C3 H3A 0.9900 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C12 C13 1.516(9) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C13 C14 1.496(10) . ?
C13 H13A 0.9900 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 H17C 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
C21 Cl1 1.743(8) . ?
C21 Cl2 1.749(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C22 Cl3 1.745(8) . ?
C22 Cl4 1.745(8) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
