#------------------------------------------------------------------------------
#$Date: 2025-11-29 22:15:56 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303826 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/97/7719714.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_7719714
loop_
_publ_author_name
'Rayasingh, Amlan Ranjan'
'Manivannan, Vadivelu'
_publ_section_title
;
 Group 10 complexes of benzothiazolehydrazone- and
 imidazo[1,5-a]pyridine-based ligands: structural artistry,
 biophysical study, and catalytic activity.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16939
_journal_page_last               16954
_journal_paper_doi               10.1039/d5dt02077h
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C17 H11 Cl N4 Pt S'
_chemical_formula_sum            'C17 H11 Cl N4 Pt S'
_chemical_formula_weight         533.90
_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   geom
_audit_creation_date             2025-03-22
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2025-05-23 deposited with the CCDC.	2025-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.335(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.9869(13)
_cell_length_b                   27.353(3)
_cell_length_c                   10.3690(12)
_cell_measurement_reflns_used    9869
_cell_measurement_temperature    293.00
_cell_measurement_theta_max      26.15
_cell_measurement_theta_min      2.38
_cell_volume                     3113.6(6)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_diffrn_ambient_temperature      293.00
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            68281
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.855
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.325
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.3527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1491 before and 0.0750 after correction.
The Ratio of minimum to maximum transmission is 0.4732.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'metallic dark red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.278
_exptl_crystal_description       block
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.972
_refine_diff_density_min         -3.768
_refine_diff_density_rms         0.280
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         5437
_refine_ls_number_restraints     738
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.1111
_refine_ls_R_factor_gt           0.0787
_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)+(0.1138P)²+75.6396P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1957
_refine_ls_wR_factor_ref         0.2459
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4053
_reflns_number_total             5437
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt02077h2.cif
_cod_data_source_block           3b
_cod_depositor_comments
'Adding full bibliography for 7719702--7719718.cif.'
_cod_database_code               7719714
_shelx_shelxl_version_number     2019/1
_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.
;
_olex2_refinement_description
;
1. Restrained distances
 C34-C29
 1.397 with sigma of 0.02
 C24-C23
 1.422 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C13(H13), C2(H2), C11(H11), C3(H3), C16(H16), C7(H7),
 C12(H12), C9(H9), C8(H8), C20(H20), C18(H18), C33(H33), C25(H25), C27(H27),
 C19(H19), C26(H26), C30(H30), C24(H24), C31(H31), C32(H32)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
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
Pt1 Pt 0.59116(7) 0.07653(3) 0.12208(7) 0.0520(3) Uani 1 1 d . U . . .
Cl1 Cl 0.5133(6) 0.1051(2) 0.3127(5) 0.0799(16) Uani 1 1 d . . . . .
S1 S 0.6719(7) 0.1955(2) -0.1511(6) 0.0786(16) Uani 1 1 d . U . . .
N4 N 0.5951(16) 0.1422(6) 0.0376(15) 0.058(3) Uani 1 1 d . U . . .
N1 N 0.5916(15) 0.0056(6) 0.1870(16) 0.056(3) Uani 1 1 d . U . . .
N2 N 0.6778(15) 0.0611(6) -0.0320(16) 0.057(3) Uani 1 1 d . U . . .
N3 N 0.7075(18) 0.1004(6) -0.1154(17) 0.070(4) Uani 1 1 d . U . . .
C5 C 0.576(2) 0.2230(8) -0.040(2) 0.067(4) Uani 1 1 d . U . . .
C17 C 0.658(2) 0.1409(7) -0.0689(19) 0.062(4) Uani 1 1 d . U . . .
C1 C 0.459(2) 0.2037(8) 0.143(2) 0.067(4) Uani 1 1 d . U . . .
H1 H 0.436427 0.182340 0.207083 0.080 Uiso 1 1 calc R U . . .
C15 C 0.6422(18) -0.0320(8) 0.1150(19) 0.058(3) Uani 1 1 d . U . . .
C6 C 0.5392(18) 0.1896(7) 0.0524(19) 0.057(3) Uani 1 1 d . U . . .
C4 C 0.534(2) 0.2697(8) -0.044(2) 0.077(5) Uani 1 1 d . U . . .
H4 H 0.561603 0.291479 -0.105074 0.092 Uiso 1 1 calc R U . . .
C14 C 0.7062(19) -0.0266(7) -0.005(2) 0.060(4) Uani 1 1 d . U . . .
C13 C 0.7474(19) -0.0661(7) -0.063(2) 0.066(4) Uani 1 1 d . U . . .
H13 H 0.782276 -0.061723 -0.141980 0.079 Uiso 1 1 calc R U . . .
C10 C 0.635(2) -0.0808(8) 0.162(2) 0.069(4) Uani 1 1 d . U . . .
C2 C 0.414(2) 0.2504(8) 0.136(2) 0.078(5) Uani 1 1 d . U . . .
H2 H 0.355581 0.259246 0.194309 0.094 Uiso 1 1 calc R U . . .
C11 C 0.687(2) -0.1206(9) 0.091(2) 0.072(4) Uani 1 1 d . U . . .
H11 H 0.681523 -0.152383 0.122130 0.087 Uiso 1 1 calc R U . . .
C3 C 0.448(2) 0.2850(8) 0.048(2) 0.079(5) Uani 1 1 d . U . . .
H3 H 0.416993 0.316646 0.047636 0.095 Uiso 1 1 calc R U . . .
C16 C 0.721(2) 0.0201(7) -0.070(2) 0.062(4) Uani 1 1 d . U . . .
H16 H 0.765037 0.020267 -0.144188 0.075 Uiso 1 1 calc R U . . .
C7 C 0.536(2) -0.0060(9) 0.286(2) 0.071(5) Uani 1 1 d . U . . .
H7 H 0.500586 0.019138 0.332154 0.085 Uiso 1 1 calc R U . . .
C12 C 0.743(2) -0.1123(8) -0.016(2) 0.077(5) Uani 1 1 d . U . . .
H12 H 0.778899 -0.137869 -0.059155 0.093 Uiso 1 1 calc R U . . .
C9 C 0.575(2) -0.0909(10) 0.278(2) 0.080(5) Uani 1 1 d . U . . .
H9 H 0.572916 -0.122302 0.312532 0.096 Uiso 1 1 calc R U . . .
C8 C 0.523(2) -0.0548(9) 0.335(2) 0.082(5) Uani 1 1 d . U . . .
H8 H 0.476355 -0.060415 0.406263 0.098 Uiso 1 1 calc R U . . .
Pt2 Pt 0.86759(7) -0.01491(3) 0.40469(8) 0.0608(3) Uani 1 1 d . U . . .
Cl2 Cl 0.7664(7) -0.0289(3) 0.5963(7) 0.093(2) Uani 1 1 d . . . . .
S2 S 0.9932(7) -0.1487(3) 0.2170(7) 0.0895(19) Uani 1 1 d . U . . .
N7 N 0.9856(14) -0.0513(6) 0.1873(14) 0.054(3) Uani 1 1 d . U . . .
N8 N 0.9001(16) -0.0847(7) 0.3758(17) 0.067(4) Uani 1 1 d . U . . .
N6 N 0.9438(15) -0.0100(6) 0.2389(14) 0.057(3) Uani 1 1 d . U . . .
N5 N 0.8437(16) 0.0582(7) 0.4218(16) 0.066(4) Uani 1 1 d . U . . .
C21 C 0.8631(15) 0.0938(8) 0.3212(18) 0.055(3) Uani 1 1 d . U . . .
C34 C 0.8797(17) -0.1342(7) 0.433(2) 0.062(4) Uani 1 1 d D U . . .
C20 C 0.933(2) 0.1126(8) 0.111(2) 0.065(4) Uani 1 1 d . U . . .
H20 H 0.968075 0.103726 0.034090 0.078 Uiso 1 1 calc R U . . .
C22 C 0.9149(19) 0.0762(8) 0.205(2) 0.062(4) Uani 1 1 d . U . . .
C23 C 0.8433(19) 0.1429(9) 0.3403(19) 0.069(4) Uani 1 1 d D U . . .
C18 C 0.862(2) 0.1766(10) 0.241(2) 0.085(5) Uani 1 1 d . U . . .
H18 H 0.847900 0.209694 0.254198 0.102 Uiso 1 1 calc R U . . .
C33 C 0.838(2) -0.1414(10) 0.549(2) 0.080(5) Uani 1 1 d . U . . .
H33 H 0.808754 -0.116204 0.599540 0.096 Uiso 1 1 calc R U . . .
C25 C 0.781(2) 0.1284(9) 0.554(2) 0.077(5) Uani 1 1 d . U . . .
H25 H 0.754043 0.137952 0.633729 0.093 Uiso 1 1 calc R U . . .
C27 C 0.946(2) 0.0298(8) 0.172(2) 0.065(4) Uani 1 1 d . U . . .
H27 H 0.972898 0.026260 0.089028 0.078 Uiso 1 1 calc R U . . .
C29 C 0.933(2) -0.1689(8) 0.356(2) 0.077(5) Uani 1 1 d D U . . .
C19 C 0.900(3) 0.1608(9) 0.128(3) 0.086(6) Uani 1 1 d . U . . .
H19 H 0.905066 0.182621 0.060049 0.103 Uiso 1 1 calc R U . . .
C26 C 0.803(2) 0.0794(8) 0.528(2) 0.070(5) Uani 1 1 d . U . . .
H26 H 0.786439 0.058030 0.594442 0.084 Uiso 1 1 calc R U . . .
C30 C 0.927(2) -0.2199(10) 0.397(3) 0.089(6) Uani 1 1 d . U . . .
H30 H 0.951651 -0.245674 0.346230 0.107 Uiso 1 1 calc R U . . .
C24 C 0.800(2) 0.1620(10) 0.461(2) 0.084(5) Uani 1 1 d D U . . .
H24 H 0.786157 0.195126 0.473565 0.101 Uiso 1 1 calc R U . . .
C28 C 0.953(2) -0.0878(9) 0.258(2) 0.072(5) Uani 1 1 d . U . . .
C31 C 0.880(3) -0.2273(11) 0.520(3) 0.096(6) Uani 1 1 d . U . . .
H31 H 0.877808 -0.258711 0.554055 0.115 Uiso 1 1 calc R U . . .
C32 C 0.840(3) -0.1895(10) 0.588(3) 0.092(6) Uani 1 1 d . U . . .
H32 H 0.811249 -0.196254 0.669649 0.111 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'
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'
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
N4 Pt1 Cl1 95.0(5) . . ?
N4 Pt1 N1 172.9(7) . . ?
N1 Pt1 Cl1 92.0(5) . . ?
N2 Pt1 Cl1 170.2(5) . . ?
N2 Pt1 N4 79.3(7) . . ?
N2 Pt1 N1 94.0(7) . . ?
C17 S1 C5 88.9(10) . . ?
C17 N4 Pt1 111.2(13) . . ?
C17 N4 C6 110.6(16) . . ?
C6 N4 Pt1 137.9(14) . . ?
C15 N1 Pt1 121.0(13) . . ?
C7 N1 Pt1 120.7(16) . . ?
C7 N1 C15 117.9(18) . . ?
N3 N2 Pt1 117.8(13) . . ?
C16 N2 Pt1 129.8(15) . . ?
C16 N2 N3 112.3(17) . . ?
C17 N3 N2 107.6(17) . . ?
C6 C5 S1 111.5(15) . . ?
C4 C5 S1 126.4(19) . . ?
C4 C5 C6 122(2) . . ?
N4 C17 S1 116.4(16) . . ?
N4 C17 N3 123.9(18) . . ?
N3 C17 S1 119.7(16) . . ?
C6 C1 H1 120.9 . . ?
C6 C1 C2 118(2) . . ?
C2 C1 H1 120.9 . . ?
N1 C15 C14 126.6(18) . . ?
N1 C15 C10 118(2) . . ?
C10 C15 C14 115(2) . . ?
C5 C6 N4 112.2(18) . . ?
C1 C6 N4 127.9(19) . . ?
C1 C6 C5 119.8(19) . . ?
C5 C4 H4 120.3 . . ?
C5 C4 C3 119(2) . . ?
C3 C4 H4 120.3 . . ?
C13 C14 C15 119.3(19) . . ?
C13 C14 C16 117(2) . . ?
C16 C14 C15 123.2(19) . . ?
C14 C13 H13 117.3 . . ?
C14 C13 C12 125(2) . . ?
C12 C13 H13 117.3 . . ?
C15 C10 C11 120(2) . . ?
C9 C10 C15 120(2) . . ?
C9 C10 C11 120(2) . . ?
C1 C2 H2 117.9 . . ?
C1 C2 C3 124(3) . . ?
C3 C2 H2 117.9 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 121(2) . . ?
C12 C11 H11 119.6 . . ?
C4 C3 H3 121.8 . . ?
C2 C3 C4 116(2) . . ?
C2 C3 H3 121.8 . . ?
N2 C16 C14 125(2) . . ?
N2 C16 H16 117.4 . . ?
C14 C16 H16 117.4 . . ?
N1 C7 H7 117.3 . . ?
N1 C7 C8 125(2) . . ?
C8 C7 H7 117.3 . . ?
C13 C12 H12 120.3 . . ?
C11 C12 C13 119(2) . . ?
C11 C12 H12 120.3 . . ?
C10 C9 H9 121.2 . . ?
C8 C9 C10 118(2) . . ?
C8 C9 H9 121.2 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120(2) . . ?
C9 C8 H8 120.0 . . ?
N8 Pt2 Cl2 93.8(5) . . ?
N8 Pt2 N5 175.1(7) . . ?
N6 Pt2 Cl2 173.7(5) . . ?
N6 Pt2 N8 81.1(7) . . ?
N6 Pt2 N5 94.1(7) . . ?
N5 Pt2 Cl2 91.1(5) . . ?
C29 S2 C28 89.6(11) . . ?
C28 N7 N6 108.4(16) . . ?
C34 N8 Pt2 141.6(13) . . ?
C28 N8 Pt2 106.2(15) . . ?
C28 N8 C34 112.0(17) . . ?
N7 N6 Pt2 117.5(12) . . ?
C27 N6 Pt2 123.2(14) . . ?
C27 N6 N7 119.0(16) . . ?
C21 N5 Pt2 125.3(13) . . ?
C26 N5 Pt2 123.4(16) . . ?
C26 N5 C21 111.3(19) . . ?
C22 C21 N5 116.9(18) . . ?
C23 C21 N5 121.6(18) . . ?
C23 C21 C22 121(2) . . ?
C33 C34 N8 124(2) . . ?
C33 C34 C29 126(2) . . ?
C29 C34 N8 108.3(18) . . ?
C22 C20 H20 118.8 . . ?
C19 C20 H20 118.8 . . ?
C19 C20 C22 122(2) . . ?
C20 C22 C21 114.6(19) . . ?
C27 C22 C21 129(2) . . ?
C27 C22 C20 116(2) . . ?
C21 C23 C18 120.5(19) . . ?
C21 C23 C24 122(2) . . ?
C18 C23 C24 117(2) . . ?
C23 C18 H18 120.3 . . ?
C19 C18 C23 119(2) . . ?
C19 C18 H18 120.3 . . ?
C34 C33 H33 122.8 . . ?
C34 C33 C32 114(3) . . ?
C32 C33 H33 122.8 . . ?
C26 C25 H25 120.5 . . ?
C24 C25 H25 120.5 . . ?
C24 C25 C26 119(2) . . ?
N6 C27 C22 130(2) . . ?
N6 C27 H27 115.0 . . ?
C22 C27 H27 115.0 . . ?
C34 C29 S2 117.0(18) . . ?
C34 C29 C30 117(2) . . ?
C30 C29 S2 125.7(18) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 C20 121(3) . . ?
C18 C19 H19 119.3 . . ?
N5 C26 C25 130(2) . . ?
N5 C26 H26 114.9 . . ?
C25 C26 H26 114.9 . . ?
C29 C30 H30 122.4 . . ?
C31 C30 C29 115(3) . . ?
C31 C30 H30 122.4 . . ?
C23 C24 H24 122.1 . . ?
C25 C24 C23 116(2) . . ?
C25 C24 H24 122.1 . . ?
N7 C28 S2 120.5(16) . . ?
N7 C28 N8 126(2) . . ?
N8 C28 S2 112.7(17) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 121(3) . . ?
C32 C31 H31 119.7 . . ?
C33 C32 H32 117.2 . . ?
C31 C32 C33 126(3) . . ?
C31 C32 H32 117.2 . . ?
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 Cl1 2.321(6) . ?
Pt1 N4 1.999(15) . ?
Pt1 N1 2.054(15) . ?
Pt1 N2 1.940(17) . ?
S1 C5 1.76(2) . ?
S1 C17 1.73(2) . ?
N4 C17 1.33(3) . ?
N4 C6 1.45(2) . ?
N1 C15 1.40(3) . ?
N1 C7 1.26(3) . ?
N2 N3 1.43(2) . ?
N2 C16 1.28(3) . ?
N3 C17 1.33(3) . ?
C5 C6 1.40(3) . ?
C5 C4 1.36(3) . ?
C1 H1 0.9300 . ?
C1 C6 1.36(3) . ?
C1 C2 1.37(3) . ?
C15 C14 1.46(3) . ?
C15 C10 1.43(3) . ?
C4 H4 0.9300 . ?
C4 C3 1.43(4) . ?
C14 C13 1.32(3) . ?
C14 C16 1.46(3) . ?
C13 H13 0.9300 . ?
C13 C12 1.36(3) . ?
C10 C11 1.45(3) . ?
C10 C9 1.42(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.38(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.31(3) . ?
C3 H3 0.9300 . ?
C16 H16 0.9300 . ?
C7 H7 0.9300 . ?
C7 C8 1.43(3) . ?
C12 H12 0.9300 . ?
C9 H9 0.9300 . ?
C9 C8 1.29(4) . ?
C8 H8 0.9300 . ?
Pt2 Cl2 2.347(6) . ?
Pt2 N8 1.968(19) . ?
Pt2 N6 1.948(15) . ?
Pt2 N5 2.026(19) . ?
S2 C29 1.70(3) . ?
S2 C28 1.78(2) . ?
N7 N6 1.34(2) . ?
N7 C28 1.30(3) . ?
N8 C34 1.50(3) . ?
N8 C28 1.38(3) . ?
N6 C27 1.29(3) . ?
N5 C21 1.45(3) . ?
N5 C26 1.34(3) . ?
C21 C22 1.43(3) . ?
C21 C23 1.38(3) . ?
C34 C33 1.32(3) . ?
C34 C29 1.388(17) . ?
C20 H20 0.9300 . ?
C20 C22 1.42(3) . ?
C20 C19 1.38(3) . ?
C22 C27 1.36(3) . ?
C23 C18 1.40(3) . ?
C23 C24 1.453(18) . ?
C18 H18 0.9300 . ?
C18 C19 1.33(3) . ?
C33 H33 0.9300 . ?
C33 C32 1.38(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.39(3) . ?
C25 C24 1.35(3) . ?
C27 H27 0.9300 . ?
C29 C30 1.46(4) . ?
C19 H19 0.9300 . ?
C26 H26 0.9300 . ?
C30 H30 0.9300 . ?
C30 C31 1.40(4) . ?
C24 H24 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.34(4) . ?
C32 H32 0.9300 . ?
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
Pt1 N4 C17 S1 -178.9(10) . . . . ?
Pt1 N4 C17 N3 3(3) . . . . ?
Pt1 N4 C6 C5 -178.8(15) . . . . ?
Pt1 N4 C6 C1 1(3) . . . . ?
Pt1 N1 C15 C14 5(3) . . . . ?
Pt1 N1 C15 C10 -177.4(15) . . . . ?
Pt1 N1 C7 C8 175.1(18) . . . . ?
Pt1 N2 N3 C17 -4(2) . . . . ?
Pt1 N2 C16 C14 4(3) . . . . ?
S1 C5 C6 N4 4(2) . . . . ?
S1 C5 C6 C1 -176.6(16) . . . . ?
S1 C5 C4 C3 174.4(18) . . . . ?
N1 C15 C14 C13 -179.0(19) . . . . ?
N1 C15 C14 C16 -3(3) . . . . ?
N1 C15 C10 C11 -179.4(18) . . . . ?
N1 C15 C10 C9 2(3) . . . . ?
N1 C7 C8 C9 3(4) . . . . ?
N2 N3 C17 S1 -177.5(14) . . . . ?
N2 N3 C17 N4 1(3) . . . . ?
N3 N2 C16 C14 179.9(19) . . . . ?
C5 S1 C17 N4 -3.9(18) . . . . ?
C5 S1 C17 N3 174.5(19) . . . . ?
C5 C4 C3 C2 1(3) . . . . ?
C17 S1 C5 C6 0.0(17) . . . . ?
C17 S1 C5 C4 -176(2) . . . . ?
C17 N4 C6 C5 -6(2) . . . . ?
C17 N4 C6 C1 174(2) . . . . ?
C1 C2 C3 C4 2(4) . . . . ?
C15 N1 C7 C8 2(3) . . . . ?
C15 C14 C13 C12 -5(3) . . . . ?
C15 C14 C16 N2 -2(3) . . . . ?
C15 C10 C11 C12 1(3) . . . . ?
C15 C10 C9 C8 3(4) . . . . ?
C6 N4 C17 S1 7(2) . . . . ?
C6 N4 C17 N3 -171.8(19) . . . . ?
C6 C5 C4 C3 -1(3) . . . . ?
C6 C1 C2 C3 -4(3) . . . . ?
C4 C5 C6 N4 179.9(19) . . . . ?
C4 C5 C6 C1 0(3) . . . . ?
C14 C15 C10 C11 -1(3) . . . . ?
C14 C15 C10 C9 -179.9(19) . . . . ?
C14 C13 C12 C11 5(4) . . . . ?
C13 C14 C16 N2 174(2) . . . . ?
C10 C15 C14 C13 3(3) . . . . ?
C10 C15 C14 C16 178.8(19) . . . . ?
C10 C11 C12 C13 -2(4) . . . . ?
C10 C9 C8 C7 -6(4) . . . . ?
C2 C1 C6 N4 -177.5(19) . . . . ?
C2 C1 C6 C5 3(3) . . . . ?
C11 C10 C9 C8 -176(2) . . . . ?
C16 N2 N3 C17 179.5(18) . . . . ?
C16 C14 C13 C12 179(2) . . . . ?
C7 N1 C15 C14 178(2) . . . . ?
C7 N1 C15 C10 -4(3) . . . . ?
C9 C10 C11 C12 180(2) . . . . ?
Pt2 N8 C34 C33 -10(3) . . . . ?
Pt2 N8 C34 C29 -179.3(18) . . . . ?
Pt2 N8 C28 S2 178.2(11) . . . . ?
Pt2 N8 C28 N7 7(3) . . . . ?
Pt2 N6 C27 C22 10(3) . . . . ?
Pt2 N5 C21 C22 -7(2) . . . . ?
Pt2 N5 C21 C23 179.2(14) . . . . ?
Pt2 N5 C26 C25 -180(2) . . . . ?
S2 C29 C30 C31 175.6(19) . . . . ?
N7 N6 C27 C22 -176(2) . . . . ?
N8 C34 C33 C32 -172(2) . . . . ?
N8 C34 C29 S2 -5(2) . . . . ?
N8 C34 C29 C30 178.0(19) . . . . ?
N6 N7 C28 S2 -179.9(15) . . . . ?
N6 N7 C28 N8 -9(3) . . . . ?
N5 C21 C22 C20 -179.4(16) . . . . ?
N5 C21 C22 C27 2(3) . . . . ?
N5 C21 C23 C18 -179.6(19) . . . . ?
N5 C21 C23 C24 -1(3) . . . . ?
C21 N5 C26 C25 -2(3) . . . . ?
C21 C22 C27 N6 -5(4) . . . . ?
C21 C23 C18 C19 -1(4) . . . . ?
C21 C23 C24 C25 0(3) . . . . ?
C34 N8 C28 S2 -6(2) . . . . ?
C34 N8 C28 N7 -177(2) . . . . ?
C34 C33 C32 C31 0(4) . . . . ?
C34 C29 C30 C31 -7(3) . . . . ?
C20 C22 C27 N6 177(2) . . . . ?
C22 C21 C23 C18 6(3) . . . . ?
C22 C21 C23 C24 -175.0(19) . . . . ?
C22 C20 C19 C18 7(4) . . . . ?
C23 C21 C22 C20 -5(3) . . . . ?
C23 C21 C22 C27 177(2) . . . . ?
C23 C18 C19 C20 -6(4) . . . . ?
C18 C23 C24 C25 179(2) . . . . ?
C33 C34 C29 S2 -173.7(19) . . . . ?
C33 C34 C29 C30 9(4) . . . . ?
C29 S2 C28 N7 175(2) . . . . ?
C29 S2 C28 N8 2.5(19) . . . . ?
C29 C34 C33 C32 -5(4) . . . . ?
C29 C30 C31 C32 3(4) . . . . ?
C19 C20 C22 C21 -2(3) . . . . ?
C19 C20 C22 C27 177(2) . . . . ?
C26 N5 C21 C22 175.8(17) . . . . ?
C26 N5 C21 C23 2(3) . . . . ?
C26 C25 C24 C23 -1(4) . . . . ?
C30 C31 C32 C33 1(5) . . . . ?
C24 C23 C18 C19 -179(2) . . . . ?
C24 C25 C26 N5 1(4) . . . . ?
C28 S2 C29 C34 1.5(19) . . . . ?
C28 S2 C29 C30 179(2) . . . . ?
C28 N7 N6 Pt2 7(2) . . . . ?
C28 N7 N6 C27 -167(2) . . . . ?
C28 N8 C34 C33 176(2) . . . . ?
C28 N8 C34 C29 6(2) . . . . ?
