# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lrx-298pt
_database_code_depnum_ccdc_archive 'CCDC 1921324'
loop_
_audit_author_name
_audit_author_address
'Yan-Cheng Liu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-11-01 downloaded from the CCDC.
;
_audit_creation_date             2019-05-28
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H14 Cl2 N4 Pt, C2 H6 O S'
_chemical_formula_sum            'C21 H20 Cl2 N4 O Pt S'
_chemical_formula_weight         642.46
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1092(3)
_cell_length_b                   9.8959(4)
_cell_length_c                   13.2673(5)
_cell_angle_alpha                102.199(3)
_cell_angle_beta                 103.963(3)
_cell_angle_gamma                98.146(3)
_cell_volume                     1110.76(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5802
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4580
_cell_measurement_theta_min      3.4640
_shelx_estimated_absorpt_T_max   0.502
_shelx_estimated_absorpt_T_min   0.171
_exptl_absorpt_coefficient_mu    6.672
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1181
_diffrn_reflns_av_unetI/netI     0.0964
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13462
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.339
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9784
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -95.00  -35.00   1.0000    2.5250
omega____ theta____ kappa____ phi______ frames
    -      -18.7075 -178.0000   60.0000 60

#__ type_ start__ end____ width___ exp.time_
  2 omega  -40.00   50.00   1.0000    2.5250
omega____ theta____ kappa____ phi______ frames
    -      -18.7075   57.0000    0.0000 90

#__ type_ start__ end____ width___ exp.time_
  3 omega  -11.00   89.00   1.0000    2.5250
omega____ theta____ kappa____ phi______ frames
    -       19.0200   77.0000   90.0000 100

#__ type_ start__ end____ width___ exp.time_
  4 omega  -20.00   61.00   1.0000    2.5250
omega____ theta____ kappa____ phi______ frames
    -       19.0200  -99.0000 -180.0000 81

#__ type_ start__ end____ width___ exp.time_
  5 omega  -11.00   89.00   1.0000    2.5250
omega____ theta____ kappa____ phi______ frames
    -       19.0200   77.0000   60.0000 100

#__ type_ start__ end____ width___ exp.time_
  6 omega   -2.00   88.00   1.0000    2.5250
omega____ theta____ kappa____ phi______ frames
    -       19.0200   57.0000  -30.0000 90

#__ type_ start__ end____ width___ exp.time_
  7 omega   -2.00   88.00   1.0000    2.5250
omega____ theta____ kappa____ phi______ frames
    -       19.0200   57.0000 -120.0000 90

#__ type_ start__ end____ width___ exp.time_
  8 omega  -95.00  -63.00   1.0000    2.5250
omega____ theta____ kappa____ phi______ frames
    -      -18.7075 -178.0000  150.0000 32
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0297190000
_diffrn_orient_matrix_UB_12      0.0423509000
_diffrn_orient_matrix_UB_13      0.0372970000
_diffrn_orient_matrix_UB_21      -0.0006669000
_diffrn_orient_matrix_UB_22      -0.0526036000
_diffrn_orient_matrix_UB_23      0.0289261000
_diffrn_orient_matrix_UB_31      0.0763527000
_diffrn_orient_matrix_UB_32      0.0323428000
_diffrn_orient_matrix_UB_33      0.0319104000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3955
_reflns_number_total             4556
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.564
_refine_diff_density_min         -1.557
_refine_diff_density_rms         0.206
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4556
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0489
_refine_ls_restrained_S_all      1.035
_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)+(0.0514P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1199
_refine_ls_wR_factor_ref         0.1285
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N3(H3), C1(H1), C2(H2), C3(H3a), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11),
 C13(H13), C15(H15), C16(H16), C17(H17), C18(H18)
2.b Idealised Me refined as rotating group:
 C20(H20a,H20b,H20c), C21(H21a,H21b,H21c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.91332(3) 0.60629(3) 0.58918(2) 0.03504(14) Uani 1 1 d . . . . .
Cl1 Cl 0.9712(3) 0.7459(3) 0.4821(2) 0.0582(6) Uani 1 1 d . . . . .
Cl2 Cl 1.1313(2) 0.7310(2) 0.7208(2) 0.0535(6) Uani 1 1 d . . . . .
N1 N 0.7226(8) 0.4886(7) 0.4836(5) 0.0378(15) Uani 1 1 d . . . . .
N2 N 0.5263(8) 0.2866(9) 0.4599(6) 0.0528(19) Uani 1 1 d . . . . .
N3 N 0.7183(7) 0.3779(7) 0.6186(5) 0.0380(15) Uani 1 1 d . . . . .
H3 H 0.6823 0.3126 0.6450 0.046 Uiso 1 1 calc R . . . .
N4 N 0.8453(6) 0.4817(6) 0.6770(5) 0.0307(13) Uani 1 1 d . . . . .
C1 C 0.4633(11) 0.2999(12) 0.3623(8) 0.066(3) Uani 1 1 d . . . . .
H1 H 0.3747 0.2346 0.3199 0.079 Uiso 1 1 calc R . . . .
C2 C 0.5222(11) 0.4070(12) 0.3190(7) 0.057(3) Uani 1 1 d . . . . .
H2 H 0.4736 0.4149 0.2509 0.068 Uiso 1 1 calc R . . . .
C3 C 0.6527(11) 0.4971(11) 0.3816(7) 0.052(2) Uani 1 1 d . . . . .
H3A H 0.6971 0.5674 0.3551 0.063 Uiso 1 1 calc R . . . .
C4 C 0.6535(9) 0.3844(9) 0.5176(6) 0.0387(18) Uani 1 1 d . . . . .
C5 C 0.9039(9) 0.4898(9) 0.7779(6) 0.0419(19) Uani 1 1 d . . . . .
H5 H 0.9914 0.5604 0.8130 0.050 Uiso 1 1 calc R . . . .
C6 C 0.8517(9) 0.4040(9) 0.8438(6) 0.0416(19) Uani 1 1 d . . . . .
C7 C 0.7948(8) 0.4714(9) 0.9271(6) 0.0406(19) Uani 1 1 d . . . . .
C8 C 0.7816(10) 0.6183(10) 0.9455(7) 0.050(2) Uani 1 1 d . . . . .
H8 H 0.8115 0.6719 0.9014 0.060 Uiso 1 1 calc R . . . .
C9 C 0.7259(12) 0.6787(12) 1.0268(9) 0.066(3) Uani 1 1 d . . . . .
H9 H 0.7178 0.7729 1.0362 0.079 Uiso 1 1 calc R . . . .
C10 C 0.6799(11) 0.6036(13) 1.0973(8) 0.066(3) Uani 1 1 d . . . . .
H10 H 0.6393 0.6463 1.1509 0.079 Uiso 1 1 calc R . . . .
C11 C 0.6968(10) 0.4653(12) 1.0845(7) 0.056(2) Uani 1 1 d . . . . .
H11 H 0.6714 0.4159 1.1324 0.068 Uiso 1 1 calc R . . . .
C12 C 0.7527(9) 0.3955(10) 0.9991(6) 0.044(2) Uani 1 1 d . . . . .
C13 C 0.7696(10) 0.2577(10) 0.9869(7) 0.050(2) Uani 1 1 d . . . . .
H13 H 0.7425 0.2087 1.0344 0.060 Uiso 1 1 calc R . . . .
C14 C 0.8259(9) 0.1888(9) 0.9060(7) 0.046(2) Uani 1 1 d . . . . .
C15 C 0.8501(10) 0.0474(10) 0.8950(8) 0.057(2) Uani 1 1 d . . . . .
H15 H 0.8276 -0.0019 0.9436 0.068 Uiso 1 1 calc R . . . .
C16 C 0.9052(11) -0.0163(11) 0.8148(8) 0.061(3) Uani 1 1 d . . . . .
H16 H 0.9182 -0.1090 0.8082 0.073 Uiso 1 1 calc R . . . .
C17 C 0.9423(11) 0.0571(11) 0.7423(8) 0.060(2) Uani 1 1 d . . . . .
H17 H 0.9796 0.0118 0.6878 0.072 Uiso 1 1 calc R . . . .
C18 C 0.9256(10) 0.1928(10) 0.7490(7) 0.048(2) Uani 1 1 d . . . . .
H18 H 0.9530 0.2393 0.7001 0.058 Uiso 1 1 calc R . . . .
C19 C 0.8665(8) 0.2636(9) 0.8300(6) 0.0414(19) Uani 1 1 d . . . . .
S1 S 0.5209(3) 0.9079(3) 0.3294(3) 0.0696(7) Uani 1 1 d . . . . .
O1 O 0.4928(7) 0.7474(7) 0.2991(6) 0.0604(17) Uani 1 1 d . . . . .
C20 C 0.6878(12) 0.9650(12) 0.4393(10) 0.092(4) Uani 1 1 d . . . . .
H20A H 0.6730 0.9225 0.4957 0.139 Uiso 1 1 calc GR . . . .
H20B H 0.7070 1.0659 0.4650 0.139 Uiso 1 1 calc GR . . . .
H20C H 0.7746 0.9378 0.4172 0.139 Uiso 1 1 calc GR . . . .
C21 C 0.5950(16) 0.9623(14) 0.2302(12) 0.110(5) Uani 1 1 d . . . . .
H21A H 0.6940 0.9373 0.2342 0.165 Uiso 1 1 calc GR . . . .
H21B H 0.6061 1.0627 0.2418 0.165 Uiso 1 1 calc GR . . . .
H21C H 0.5254 0.9164 0.1605 0.165 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 2.279(2) . ?
Pt1 Cl2 2.289(2) . ?
Pt1 N1 1.975(7) . ?
Pt1 N4 2.001(6) . ?
N1 C3 1.374(10) . ?
N1 C4 1.346(11) . ?
N2 C1 1.325(12) . ?
N2 C4 1.344(11) . ?
N3 H3 0.8600 . ?
N3 N4 1.374(8) . ?
N3 C4 1.347(9) . ?
N4 C5 1.296(9) . ?
C1 H1 0.9300 . ?
C1 C2 1.409(15) . ?
C2 H2 0.9300 . ?
C2 C3 1.344(13) . ?
C3 H3A 0.9300 . ?
C5 H5 0.9300 . ?
C5 C6 1.453(11) . ?
C6 C7 1.414(12) . ?
C6 C19 1.392(12) . ?
C7 C8 1.450(12) . ?
C7 C12 1.422(11) . ?
C8 H8 0.9300 . ?
C8 C9 1.362(14) . ?
C9 H9 0.9300 . ?
C9 C10 1.414(15) . ?
C10 H10 0.9300 . ?
C10 C11 1.378(14) . ?
C11 H11 0.9300 . ?
C11 C12 1.439(12) . ?
C12 C13 1.374(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.391(13) . ?
C14 C15 1.430(12) . ?
C14 C19 1.455(11) . ?
C15 H15 0.9300 . ?
C15 C16 1.358(14) . ?
C16 H16 0.9300 . ?
C16 C17 1.396(13) . ?
C17 H17 0.9300 . ?
C17 C18 1.360(13) . ?
C18 H18 0.9300 . ?
C18 C19 1.415(12) . ?
S1 O1 1.522(7) . ?
S1 C20 1.760(10) . ?
S1 C21 1.761(14) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?

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
Cl1 Pt1 Cl2 88.80(9) . . ?
N1 Pt1 Cl1 95.9(2) . . ?
N1 Pt1 Cl2 175.26(19) . . ?
N1 Pt1 N4 80.2(3) . . ?
N4 Pt1 Cl1 175.58(16) . . ?
N4 Pt1 Cl2 95.11(18) . . ?
C3 N1 Pt1 129.6(7) . . ?
C4 N1 Pt1 114.1(5) . . ?
C4 N1 C3 116.3(8) . . ?
C1 N2 C4 115.3(9) . . ?
N4 N3 H3 121.9 . . ?
C4 N3 H3 121.9 . . ?
C4 N3 N4 116.2(6) . . ?
N3 N4 Pt1 112.4(4) . . ?
C5 N4 Pt1 128.4(5) . . ?
C5 N4 N3 119.2(6) . . ?
N2 C1 H1 118.0 . . ?
N2 C1 C2 124.0(9) . . ?
C2 C1 H1 118.0 . . ?
C1 C2 H2 121.9 . . ?
C3 C2 C1 116.3(9) . . ?
C3 C2 H2 121.9 . . ?
N1 C3 H3A 118.9 . . ?
C2 C3 N1 122.2(9) . . ?
C2 C3 H3A 118.9 . . ?
N1 C4 N3 116.8(7) . . ?
N2 C4 N1 125.9(7) . . ?
N2 C4 N3 117.3(8) . . ?
N4 C5 H5 115.5 . . ?
N4 C5 C6 128.9(7) . . ?
C6 C5 H5 115.5 . . ?
C7 C6 C5 117.2(8) . . ?
C19 C6 C5 121.4(8) . . ?
C19 C6 C7 121.3(8) . . ?
C6 C7 C8 122.8(8) . . ?
C6 C7 C12 119.7(8) . . ?
C12 C7 C8 117.5(8) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.6(9) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 118.7 . . ?
C8 C9 C10 122.5(10) . . ?
C10 C9 H9 118.7 . . ?
C9 C10 H10 120.9 . . ?
C11 C10 C9 118.2(10) . . ?
C11 C10 H10 120.9 . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 121.6(9) . . ?
C12 C11 H11 119.2 . . ?
C7 C12 C11 119.4(9) . . ?
C13 C12 C7 119.2(8) . . ?
C13 C12 C11 121.4(8) . . ?
C12 C13 H13 118.8 . . ?
C12 C13 C14 122.4(8) . . ?
C14 C13 H13 118.8 . . ?
C13 C14 C15 123.0(8) . . ?
C13 C14 C19 119.4(8) . . ?
C15 C14 C19 117.7(8) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 C14 121.2(9) . . ?
C16 C15 H15 119.4 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.1(9) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.0 . . ?
C18 C17 C16 122.1(9) . . ?
C18 C17 H17 119.0 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.2(8) . . ?
C19 C18 H18 119.9 . . ?
C6 C19 C14 118.1(8) . . ?
C6 C19 C18 123.1(8) . . ?
C18 C19 C14 118.7(8) . . ?
O1 S1 C20 106.0(5) . . ?
O1 S1 C21 106.0(6) . . ?
C20 S1 C21 99.7(7) . . ?
S1 C20 H20A 109.5 . . ?
S1 C20 H20B 109.5 . . ?
S1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
S1 C21 H21A 109.5 . . ?
S1 C21 H21B 109.5 . . ?
S1 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

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 N1 C3 C2 179.4(7) . . . . ?
Pt1 N1 C4 N2 -177.1(7) . . . . ?
Pt1 N1 C4 N3 2.7(9) . . . . ?
Pt1 N4 C5 C6 177.0(6) . . . . ?
N2 C1 C2 C3 1.7(16) . . . . ?
N3 N4 C5 C6 -1.7(13) . . . . ?
N4 N3 C4 N1 2.1(10) . . . . ?
N4 N3 C4 N2 -178.1(7) . . . . ?
N4 C5 C6 C7 -113.4(9) . . . . ?
N4 C5 C6 C19 70.7(12) . . . . ?
C1 N2 C4 N1 -2.5(14) . . . . ?
C1 N2 C4 N3 177.7(8) . . . . ?
C1 C2 C3 N1 -2.0(15) . . . . ?
C3 N1 C4 N2 2.2(13) . . . . ?
C3 N1 C4 N3 -178.0(7) . . . . ?
C4 N1 C3 C2 0.2(13) . . . . ?
C4 N2 C1 C2 0.4(15) . . . . ?
C4 N3 N4 Pt1 -5.7(8) . . . . ?
C4 N3 N4 C5 173.2(7) . . . . ?
C5 C6 C7 C8 2.4(11) . . . . ?
C5 C6 C7 C12 -175.4(7) . . . . ?
C5 C6 C19 C14 174.0(7) . . . . ?
C5 C6 C19 C18 -3.0(12) . . . . ?
C6 C7 C8 C9 179.9(8) . . . . ?
C6 C7 C12 C11 179.2(7) . . . . ?
C6 C7 C12 C13 0.6(11) . . . . ?
C7 C6 C19 C14 -1.8(11) . . . . ?
C7 C6 C19 C18 -178.8(7) . . . . ?
C7 C8 C9 C10 0.6(14) . . . . ?
C7 C12 C13 C14 -0.4(12) . . . . ?
C8 C7 C12 C11 1.2(11) . . . . ?
C8 C7 C12 C13 -177.4(7) . . . . ?
C8 C9 C10 C11 1.9(15) . . . . ?
C9 C10 C11 C12 -2.9(14) . . . . ?
C10 C11 C12 C7 1.3(13) . . . . ?
C10 C11 C12 C13 179.9(9) . . . . ?
C11 C12 C13 C14 -178.9(8) . . . . ?
C12 C7 C8 C9 -2.1(12) . . . . ?
C12 C13 C14 C15 177.4(8) . . . . ?
C12 C13 C14 C19 -1.0(12) . . . . ?
C13 C14 C15 C16 180.0(9) . . . . ?
C13 C14 C19 C6 2.0(11) . . . . ?
C13 C14 C19 C18 179.2(8) . . . . ?
C14 C15 C16 C17 1.2(14) . . . . ?
C15 C14 C19 C6 -176.4(7) . . . . ?
C15 C14 C19 C18 0.7(11) . . . . ?
C15 C16 C17 C18 0.2(15) . . . . ?
C16 C17 C18 C19 -1.1(14) . . . . ?
C17 C18 C19 C6 177.6(8) . . . . ?
C17 C18 C19 C14 0.6(12) . . . . ?
C19 C6 C7 C8 178.4(7) . . . . ?
C19 C6 C7 C12 0.5(11) . . . . ?
C19 C14 C15 C16 -1.7(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aaaa
_database_code_depnum_ccdc_archive 'CCDC 1921325'
loop_
_audit_author_name
_audit_author_address
'Yan-Cheng Liu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-11-01 downloaded from the CCDC.
;
_audit_creation_date             2019-05-28
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H14 Cl2 N4 O Pt, C2 H6 O S'
_chemical_formula_sum            'C22 H21 Cl2 N4 O2 Pt S'
_chemical_formula_weight         671.48
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.161(3)
_cell_length_b                   9.961(3)
_cell_length_c                   13.165(4)
_cell_angle_alpha                101.623(4)
_cell_angle_beta                 103.647(4)
_cell_angle_gamma                97.629(4)
_cell_volume                     1122.7(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9787
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.68
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.337
_shelx_estimated_absorpt_T_min   0.312
_exptl_absorpt_coefficient_mu    6.609
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             650
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13594
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.640
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4455
_reflns_number_total             4599
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.605
_refine_diff_density_min         -0.940
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         4599
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0236
_refine_ls_restrained_S_all      1.185
_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)+(0.0418P)²+1.4134P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0731
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N3(H3), C1(H1), C2(H2), C3(H3a), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19)
2.b Idealised Me refined as rotating group:
 C21(H21a,H21b,H21c), C22(H22a,H22b,H22c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   ?
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 0.58756(2) -0.10018(2) 0.91074(2) 0.02647(7) Uani 1 1 d . . . . .
Cl1 Cl 0.53003(16) -0.24476(13) 1.01608(11) 0.0475(3) Uani 1 1 d . . . . .
Cl2 Cl 0.37296(13) -0.21754(12) 0.77807(10) 0.0440(3) Uani 1 1 d . . . . .
S1 S 0.97128(14) 0.58950(14) 0.16704(12) 0.0487(3) Uani 1 1 d . . . . .
O1 O 0.9492(6) 0.3350(6) 0.4372(4) 0.0825(15) Uani 1 1 d . . . . .
O2 O 1.0071(4) 0.7463(4) 0.1979(3) 0.0494(9) Uani 1 1 d . . . . .
N1 N 0.7770(4) 0.0135(4) 1.0186(3) 0.0295(7) Uani 1 1 d . . . . .
N2 N 0.9704(5) 0.2123(5) 1.0423(3) 0.0440(9) Uani 1 1 d . . . . .
N3 N 0.7824(4) 0.1278(4) 0.8820(3) 0.0314(7) Uani 1 1 d . . . . .
H3 H 0.8205 0.1917 0.8553 0.038 Uiso 1 1 calc R . . . .
N4 N 0.6536(4) 0.0295(4) 0.8238(3) 0.0275(7) Uani 1 1 d . . . . .
C1 C 1.0330(6) 0.1952(7) 1.1401(4) 0.0525(13) Uani 1 1 d . . . . .
H1 H 1.1206 0.2580 1.1829 0.063 Uiso 1 1 calc R . . . .
C2 C 0.9748(6) 0.0896(7) 1.1808(4) 0.0483(12) Uani 1 1 d . . . . .
H2 H 1.0229 0.0796 1.2487 0.058 Uiso 1 1 calc R . . . .
C3 C 0.8441(6) 0.0000(6) 1.1182(4) 0.0406(10) Uani 1 1 d . . . . .
H3A H 0.8007 -0.0711 1.1443 0.049 Uiso 1 1 calc R . . . .
C4 C 0.8458(5) 0.1181(5) 0.9842(3) 0.0306(8) Uani 1 1 d . . . . .
C5 C 0.5931(5) 0.0240(5) 0.7243(3) 0.0356(9) Uani 1 1 d . . . . .
H5 H 0.5038 -0.0417 0.6902 0.043 Uiso 1 1 calc R . . . .
C6 C 0.6502(5) 0.1113(5) 0.6580(3) 0.0320(8) Uani 1 1 d . . . . .
C7 C 0.7066(5) 0.0433(4) 0.5741(3) 0.0314(8) Uani 1 1 d . . . . .
C8 C 0.7098(6) -0.1025(5) 0.5545(4) 0.0409(10) Uani 1 1 d . . . . .
H8 H 0.6747 -0.1543 0.5983 0.049 Uiso 1 1 calc R . . . .
C9 C 0.7627(7) -0.1668(6) 0.4737(4) 0.0509(12) Uani 1 1 d . . . . .
H9 H 0.7640 -0.2618 0.4624 0.061 Uiso 1 1 calc R . . . .
C10 C 0.8159(7) -0.0895(6) 0.4065(4) 0.0526(13) Uani 1 1 d . . . . .
H10 H 0.8510 -0.1345 0.3505 0.063 Uiso 1 1 calc R . . . .
C11 C 0.8168(6) 0.0486(6) 0.4223(4) 0.0460(11) Uani 1 1 d . . . . .
H11 H 0.8529 0.0969 0.3769 0.055 Uiso 1 1 calc R . . . .
C12 C 0.7633(5) 0.1235(5) 0.5078(3) 0.0335(9) Uani 1 1 d . . . . .
C13 C 0.7593(5) 0.2662(5) 0.5251(3) 0.0366(9) Uani 1 1 d . . . . .
C14 C 0.8305(6) 0.3535(6) 0.4634(4) 0.0465(12) Uani 1 1 d . . . . .
H14 H 0.7837 0.4252 0.4436 0.056 Uiso 1 1 calc R . . . .
C15 C 0.6917(5) 0.3318(5) 0.6034(3) 0.0352(9) Uani 1 1 d . . . . .
C16 C 0.6766(7) 0.4745(6) 0.6193(5) 0.0533(13) Uani 1 1 d . . . . .
H16 H 0.7120 0.5282 0.5768 0.064 Uiso 1 1 calc R . . . .
C17 C 0.6106(7) 0.5343(6) 0.6963(5) 0.0560(14) Uani 1 1 d . . . . .
H17 H 0.5980 0.6265 0.7035 0.067 Uiso 1 1 calc R . . . .
C18 C 0.5619(6) 0.4554(6) 0.7646(5) 0.0517(13) Uani 1 1 d . . . . .
H18 H 0.5193 0.4970 0.8176 0.062 Uiso 1 1 calc R . . . .
C19 C 0.5766(6) 0.3201(6) 0.7535(4) 0.0436(11) Uani 1 1 d . . . . .
H19 H 0.5450 0.2705 0.7998 0.052 Uiso 1 1 calc R . . . .
C20 C 0.6393(5) 0.2523(5) 0.6729(3) 0.0326(8) Uani 1 1 d . . . . .
C21 C 0.8755(10) 0.5402(9) 0.2574(6) 0.091(3) Uani 1 1 d . . . . .
H21A H 0.9462 0.5587 0.3275 0.137 Uiso 1 1 calc GR . . . .
H21B H 0.8323 0.4424 0.2334 0.137 Uiso 1 1 calc GR . . . .
H21C H 0.7953 0.5925 0.2612 0.137 Uiso 1 1 calc GR . . . .
C22 C 0.8176(6) 0.5365(7) 0.0479(5) 0.0584(14) Uani 1 1 d . . . . .
H22A H 0.7289 0.5696 0.0620 0.088 Uiso 1 1 calc GR . . . .
H22B H 0.7950 0.4365 0.0248 0.088 Uiso 1 1 calc GR . . . .
H22C H 0.8457 0.5747 -0.0077 0.088 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 2.2854(12) . ?
Pt1 Cl2 2.2866(12) . ?
Pt1 N1 1.995(4) . ?
Pt1 N4 2.015(3) . ?
S1 O2 1.503(4) . ?
S1 C21 1.744(7) . ?
S1 C22 1.775(5) . ?
O1 C14 1.241(8) . ?
N1 C3 1.351(6) . ?
N1 C4 1.356(6) . ?
N2 C1 1.334(7) . ?
N2 C4 1.335(6) . ?
N3 H3 0.8600 . ?
N3 N4 1.379(5) . ?
N3 C4 1.362(5) . ?
N4 C5 1.284(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.375(9) . ?
C2 H2 0.9300 . ?
C2 C3 1.366(8) . ?
C3 H3A 0.9300 . ?
C5 H5 0.9300 . ?
C5 C6 1.480(6) . ?
C6 C7 1.417(6) . ?
C6 C20 1.399(6) . ?
C7 C8 1.428(6) . ?
C7 C12 1.433(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.352(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.411(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.347(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.444(7) . ?
C12 C13 1.400(7) . ?
C13 C14 1.493(6) . ?
C13 C15 1.417(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.425(7) . ?
C15 C20 1.447(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.374(9) . ?
C17 H17 0.9300 . ?
C17 C18 1.416(9) . ?
C18 H18 0.9300 . ?
C18 C19 1.355(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.419(7) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?

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
Cl1 Pt1 Cl2 89.06(5) . . ?
N1 Pt1 Cl1 95.78(11) . . ?
N1 Pt1 Cl2 175.14(11) . . ?
N1 Pt1 N4 80.61(14) . . ?
N4 Pt1 Cl1 176.01(10) . . ?
N4 Pt1 Cl2 94.57(10) . . ?
O2 S1 C21 105.7(3) . . ?
O2 S1 C22 107.8(3) . . ?
C21 S1 C22 99.0(3) . . ?
C3 N1 Pt1 129.4(3) . . ?
C3 N1 C4 117.2(4) . . ?
C4 N1 Pt1 113.4(3) . . ?
C1 N2 C4 115.5(5) . . ?
N4 N3 H3 121.9 . . ?
C4 N3 H3 121.9 . . ?
C4 N3 N4 116.2(3) . . ?
N3 N4 Pt1 112.4(2) . . ?
C5 N4 Pt1 127.1(3) . . ?
C5 N4 N3 120.5(3) . . ?
N2 C1 H1 118.3 . . ?
N2 C1 C2 123.5(5) . . ?
C2 C1 H1 118.3 . . ?
C1 C2 H2 121.1 . . ?
C3 C2 C1 117.8(5) . . ?
C3 C2 H2 121.1 . . ?
N1 C3 C2 120.7(5) . . ?
N1 C3 H3A 119.7 . . ?
C2 C3 H3A 119.7 . . ?
N1 C4 N3 117.3(4) . . ?
N2 C4 N1 125.3(4) . . ?
N2 C4 N3 117.4(4) . . ?
N4 C5 H5 116.5 . . ?
N4 C5 C6 126.9(4) . . ?
C6 C5 H5 116.5 . . ?
C7 C6 C5 117.0(4) . . ?
C20 C6 C5 121.4(4) . . ?
C20 C6 C7 121.5(4) . . ?
C6 C7 C8 121.8(4) . . ?
C6 C7 C12 119.0(4) . . ?
C8 C7 C12 119.3(4) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.4(5) . . ?
C9 C8 H8 119.3 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 119.9(5) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.0(5) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 119.1 . . ?
C10 C11 C12 121.8(5) . . ?
C12 C11 H11 119.1 . . ?
C7 C12 C11 116.7(4) . . ?
C13 C12 C7 119.9(4) . . ?
C13 C12 C11 123.4(4) . . ?
C12 C13 C14 120.4(4) . . ?
C12 C13 C15 121.1(4) . . ?
C15 C13 C14 118.4(4) . . ?
O1 C14 C13 123.1(5) . . ?
O1 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
C13 C15 C16 123.1(4) . . ?
C13 C15 C20 119.0(4) . . ?
C16 C15 C20 117.9(5) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 C15 121.2(5) . . ?
C17 C16 H16 119.4 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0(5) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.7(5) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.4(5) . . ?
C20 C19 H19 119.3 . . ?
C6 C20 C15 119.2(4) . . ?
C6 C20 C19 122.1(4) . . ?
C19 C20 C15 118.7(4) . . ?
S1 C21 H21A 109.5 . . ?
S1 C21 H21B 109.5 . . ?
S1 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
S1 C22 H22A 109.5 . . ?
S1 C22 H22B 109.5 . . ?
S1 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

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 N1 C3 C2 -179.7(4) . . . . ?
Pt1 N1 C4 N2 177.2(4) . . . . ?
Pt1 N1 C4 N3 -2.7(5) . . . . ?
Pt1 N4 C5 C6 -173.9(4) . . . . ?
N2 C1 C2 C3 -1.5(9) . . . . ?
N3 N4 C5 C6 2.8(7) . . . . ?
N4 N3 C4 N1 0.1(6) . . . . ?
N4 N3 C4 N2 -179.8(4) . . . . ?
N4 C5 C6 C7 111.8(5) . . . . ?
N4 C5 C6 C20 -72.5(6) . . . . ?
C1 N2 C4 N1 3.1(8) . . . . ?
C1 N2 C4 N3 -177.0(4) . . . . ?
C1 C2 C3 N1 1.6(8) . . . . ?
C3 N1 C4 N2 -3.0(7) . . . . ?
C3 N1 C4 N3 177.0(4) . . . . ?
C4 N1 C3 C2 0.5(7) . . . . ?
C4 N2 C1 C2 -0.7(9) . . . . ?
C4 N3 N4 Pt1 2.5(5) . . . . ?
C4 N3 N4 C5 -174.7(4) . . . . ?
C5 C6 C7 C8 -0.5(6) . . . . ?
C5 C6 C7 C12 -179.9(4) . . . . ?
C5 C6 C20 C15 -177.8(4) . . . . ?
C5 C6 C20 C19 1.5(6) . . . . ?
C6 C7 C8 C9 179.4(4) . . . . ?
C6 C7 C12 C11 -178.9(4) . . . . ?
C6 C7 C12 C13 -1.4(6) . . . . ?
C7 C6 C20 C15 -2.2(6) . . . . ?
C7 C6 C20 C19 177.1(4) . . . . ?
C7 C8 C9 C10 -0.1(8) . . . . ?
C7 C12 C13 C14 174.5(4) . . . . ?
C7 C12 C13 C15 -3.7(6) . . . . ?
C8 C7 C12 C11 1.7(6) . . . . ?
C8 C7 C12 C13 179.2(4) . . . . ?
C8 C9 C10 C11 0.8(9) . . . . ?
C9 C10 C11 C12 -0.2(8) . . . . ?
C10 C11 C12 C7 -1.1(7) . . . . ?
C10 C11 C12 C13 -178.5(5) . . . . ?
C11 C12 C13 C14 -8.1(7) . . . . ?
C11 C12 C13 C15 173.7(4) . . . . ?
C12 C7 C8 C9 -1.2(7) . . . . ?
C12 C13 C14 O1 -35.4(7) . . . . ?
C12 C13 C15 C16 -176.0(5) . . . . ?
C12 C13 C15 C20 5.8(6) . . . . ?
C13 C15 C16 C17 -179.9(5) . . . . ?
C13 C15 C20 C6 -2.8(6) . . . . ?
C13 C15 C20 C19 177.8(4) . . . . ?
C14 C13 C15 C16 5.7(7) . . . . ?
C14 C13 C15 C20 -172.5(4) . . . . ?
C15 C13 C14 O1 142.8(6) . . . . ?
C15 C16 C17 C18 2.6(9) . . . . ?
C16 C15 C20 C6 178.9(4) . . . . ?
C16 C15 C20 C19 -0.4(6) . . . . ?
C16 C17 C18 C19 -1.4(9) . . . . ?
C17 C18 C19 C20 -0.8(8) . . . . ?
C18 C19 C20 C6 -177.7(4) . . . . ?
C18 C19 C20 C15 1.6(7) . . . . ?
C20 C6 C7 C8 -176.3(4) . . . . ?
C20 C6 C7 C12 4.3(6) . . . . ?
C20 C15 C16 C17 -1.7(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
