# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2247257'
loop_
_audit_author_name
_audit_author_address
'Jie Yan'
;City University of Hong Kong
China
;
_audit_update_record             
;
2023-03-08 deposited with the CCDC.	2023-05-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H20 Cl F3 N4 Pt'
_chemical_formula_weight         591.93

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   12.3204(3)
_cell_length_b                   16.7473(3)
_cell_length_c                   39.9010(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8232.9(3)
_cell_formula_units_Z            16
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9916
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      26.32

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.910
_exptl_crystal_F_000             4544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    6.985
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5210
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro focus'
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39834
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         2.292
_diffrn_reflns_theta_max         26.382
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.977
_reflns_number_total             8242
_reflns_number_gt                6474
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker Apex3'
_computing_cell_refinement       'Bruker Saint'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8242
_refine_ls_number_parameters     621
_refine_ls_number_restraints     777
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0463
_refine_ls_wR_factor_ref         0.1516
_refine_ls_wR_factor_gt          0.1392
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.38618(3) 0.30496(2) 0.44386(2) 0.03050(12) Uani 1 1 d . . . . .
Cl1 Cl 0.3687(2) 0.43033(12) 0.47147(7) 0.0511(7) Uani 1 1 d . . . . .
N1 N 0.6189(6) 0.3661(4) 0.42075(17) 0.0362(17) Uani 1 1 d . . . . .
N2 N 0.5627(6) 0.2540(4) 0.40231(17) 0.0339(16) Uani 1 1 d . . . . .
N3 N 0.2420(6) 0.1697(4) 0.44996(16) 0.0315(15) Uani 1 1 d . . . . .
N4 N 0.1568(6) 0.2620(4) 0.47575(17) 0.0357(17) Uani 1 1 d . . . . .
C1 C 0.5342(7) 0.3186(4) 0.4221(2) 0.0330(18) Uani 1 1 d . . . . .
C2 C 0.6992(8) 0.3362(6) 0.3985(2) 0.048(2) Uani 1 1 d . . . . .
H2 H 0.765545 0.361542 0.392627 0.058 Uiso 1 1 calc R U . . .
C3 C 0.6634(7) 0.2651(5) 0.3874(2) 0.039(2) Uani 1 1 d . . . . .
H3 H 0.699401 0.229802 0.372395 0.047 Uiso 1 1 calc R U . . .
C4 C 0.4940(7) 0.1858(5) 0.4036(2) 0.0362(19) Uani 1 1 d . . . . .
C5 C 0.5150(7) 0.1094(5) 0.3916(2) 0.037(2) Uani 1 1 d . . . . .
H5 H 0.576730 0.098515 0.378066 0.044 Uiso 1 1 calc R U . . .
C6 C 0.4412(7) 0.0491(5) 0.4003(2) 0.037(2) Uani 1 1 d . . . . .
C7 C 0.3485(7) 0.0641(5) 0.4196(2) 0.038(2) Uani 1 1 d . . . . .
H7 H 0.298834 0.022611 0.424861 0.046 Uiso 1 1 calc R U . . .
C8 C 0.3318(7) 0.1400(4) 0.4304(2) 0.0294(18) Uani 1 1 d . . . . .
C9 C 0.4030(7) 0.2005(4) 0.4230(2) 0.034(2) Uani 1 1 d . . . . .
C10 C 0.1500(7) 0.1349(5) 0.4617(2) 0.037(2) Uani 1 1 d . . . . .
H10 H 0.128538 0.080761 0.459127 0.045 Uiso 1 1 calc R U . . .
C11 C 0.0951(8) 0.1935(5) 0.4779(2) 0.042(2) Uani 1 1 d . . . . .
H11 H 0.026818 0.188327 0.488733 0.051 Uiso 1 1 calc R U . . .
C12 C 0.2483(7) 0.2493(4) 0.4588(2) 0.0308(18) Uani 1 1 d . . . . .
C13 C 0.6349(8) 0.4366(6) 0.4426(2) 0.044(2) Uani 1 1 d . . . . .
H13 H 0.579843 0.433935 0.460939 0.053 Uiso 1 1 calc R U . . .
C14 C 0.7442(8) 0.4348(5) 0.4582(3) 0.046(2) Uani 1 1 d . . . . .
H14A H 0.748583 0.476147 0.475547 0.068 Uiso 1 1 calc R U . . .
H14B H 0.799465 0.444907 0.441052 0.068 Uiso 1 1 calc R U . . .
H14C H 0.756682 0.382335 0.468336 0.068 Uiso 1 1 calc R U . . .
C15 C 0.6144(10) 0.5134(6) 0.4226(3) 0.059(3) Uani 1 1 d . . . . .
H15A H 0.618960 0.559529 0.437646 0.088 Uiso 1 1 calc R U . . .
H15B H 0.542001 0.511291 0.412466 0.088 Uiso 1 1 calc R U . . .
H15C H 0.669192 0.518502 0.404912 0.088 Uiso 1 1 calc R U . . .
C16 C 0.4608(7) -0.0317(5) 0.3876(2) 0.0527(16) Uani 0.3333 1 d D U P A 1
F1 F 0.5523(16) -0.0380(11) 0.3669(6) 0.058(3) Uani 0.3333 1 d D U P A 1
F2 F 0.3854(16) -0.0664(11) 0.3681(6) 0.053(3) Uani 0.3333 1 d D U P A 1
F3 F 0.486(2) -0.0851(9) 0.4134(4) 0.056(3) Uani 0.3333 1 d D U P A 1
C16A C 0.4608(7) -0.0317(5) 0.3876(2) 0.0527(16) Uani 0.3333 1 d D U P A 2
F1A F 0.4066(18) -0.0426(13) 0.3577(5) 0.050(3) Uani 0.3333 1 d D U P A 2
F2A F 0.417(2) -0.0908(9) 0.4087(5) 0.053(3) Uani 0.3333 1 d D U P A 2
F3A F 0.5659(13) -0.0508(12) 0.3840(6) 0.051(3) Uani 0.3333 1 d D U P A 2
C16B C 0.4608(7) -0.0317(5) 0.3876(2) 0.0527(16) Uani 0.3333 1 d D U P A 3
F1B F 0.464(2) -0.0374(12) 0.3541(4) 0.061(3) Uani 0.3333 1 d D U P A 3
F2B F 0.3799(15) -0.0855(10) 0.3930(7) 0.058(3) Uani 0.3333 1 d D U P A 3
F3B F 0.5489(17) -0.0690(11) 0.4014(6) 0.053(3) Uani 0.3333 1 d D U P A 3
C17 C 0.1293(8) 0.3375(6) 0.4913(3) 0.048(2) Uani 1 1 d . . . . .
H17 H 0.167508 0.380768 0.478617 0.057 Uiso 1 1 calc R U . . .
C18 C 0.0084(9) 0.3541(6) 0.4896(3) 0.063(3) Uani 1 1 d . . . . .
H18A H -0.006182 0.407968 0.498160 0.095 Uiso 1 1 calc R U . . .
H18B H -0.030544 0.314919 0.503332 0.095 Uiso 1 1 calc R U . . .
H18C H -0.016342 0.350299 0.466334 0.095 Uiso 1 1 calc R U . . .
C19 C 0.1708(9) 0.3385(7) 0.5270(3) 0.060(3) Uani 1 1 d . . . . .
H19A H 0.154646 0.390410 0.537185 0.090 Uiso 1 1 calc R U . . .
H19B H 0.249442 0.329759 0.526996 0.090 Uiso 1 1 calc R U . . .
H19C H 0.135165 0.296142 0.539820 0.090 Uiso 1 1 calc R U . . .
Pt2 Pt 0.66233(3) 0.50056(2) 0.32084(2) 0.02975(12) Uani 1 1 d . . . . .
Cl2 Cl 0.7718(2) 0.61828(13) 0.32193(6) 0.0434(6) Uani 1 1 d . . . . .
N5 N 0.8548(6) 0.4210(4) 0.27940(19) 0.0393(17) Uani 1 1 d . . . . .
N6 N 0.7153(6) 0.3484(4) 0.29212(18) 0.0362(16) Uani 1 1 d . . . . .
N7 N 0.4480(6) 0.4809(4) 0.34774(19) 0.0370(17) Uani 1 1 d . . . . .
N8 N 0.4813(6) 0.6065(4) 0.35707(18) 0.0378(17) Uani 1 1 d . . . . .
C20 C 0.7626(6) 0.4228(5) 0.2962(2) 0.0302(17) Uani 1 1 d . . . . .
C21 C 0.8686(8) 0.3440(5) 0.2642(3) 0.048(2) Uani 1 1 d . . . . .
H21 H 0.928110 0.327179 0.250804 0.058 Uiso 1 1 calc R U . . .
C22 C 0.7815(8) 0.3006(5) 0.2725(2) 0.044(2) Uani 1 1 d . . . . .
H22 H 0.767633 0.246953 0.266073 0.053 Uiso 1 1 calc R U . . .
C23 C 0.6111(7) 0.3337(5) 0.3055(2) 0.038(2) Uani 1 1 d . . . . .
C24 C 0.5481(7) 0.2684(5) 0.3032(2) 0.038(2) Uani 1 1 d . . . . .
H24 H 0.571537 0.221847 0.291703 0.045 Uiso 1 1 calc R U . . .
C25 C 0.4481(8) 0.2722(6) 0.3185(2) 0.044(2) Uani 1 1 d . . . . .
C26 C 0.4069(7) 0.3376(5) 0.3335(3) 0.042(2) Uani 1 1 d . . . . .
H26 H 0.336278 0.337757 0.343005 0.051 Uiso 1 1 calc R U . . .
C27 C 0.4726(7) 0.4045(5) 0.3342(2) 0.0369(19) Uani 1 1 d . . . . .
C28 C 0.5732(7) 0.4055(4) 0.32045(19) 0.0293(17) Uani 1 1 d . . . . .
C29 C 0.3568(9) 0.5124(7) 0.3637(3) 0.054(3) Uani 1 1 d . . . . .
H29 H 0.292655 0.484275 0.369606 0.064 Uiso 1 1 calc R U . . .
C30 C 0.3763(8) 0.5873(6) 0.3688(3) 0.046(2) Uani 1 1 d . . . . .
H30 H 0.327377 0.623841 0.378996 0.055 Uiso 1 1 calc R U . . .
C31 C 0.5255(8) 0.5401(5) 0.3436(2) 0.041(2) Uani 1 1 d . . . . .
C32 C 0.9304(8) 0.4891(5) 0.2753(2) 0.040(2) Uani 1 1 d . . . . .
H32 H 0.922160 0.523946 0.295545 0.048 Uiso 1 1 calc R U . . .
C33 C 0.9008(10) 0.5380(7) 0.2456(3) 0.068(3) Uani 1 1 d . . . . .
H33A H 0.949578 0.584115 0.244131 0.101 Uiso 1 1 calc R U . . .
H33B H 0.825782 0.556616 0.247903 0.101 Uiso 1 1 calc R U . . .
H33C H 0.907672 0.505546 0.225324 0.101 Uiso 1 1 calc R U . . .
C34 C 1.0501(8) 0.4595(6) 0.2746(3) 0.057(3) Uani 1 1 d . . . . .
H34A H 1.098867 0.504222 0.279443 0.085 Uiso 1 1 calc R U . . .
H34B H 1.066701 0.437687 0.252422 0.085 Uiso 1 1 calc R U . . .
H34C H 1.059996 0.417761 0.291594 0.085 Uiso 1 1 calc R U . . .
C35 C 0.3755(8) 0.1996(5) 0.3164(2) 0.0548(16) Uani 0.3333 1 d D U P B 1
F4 F 0.443(2) 0.1357(14) 0.3199(9) 0.053(4) Uani 0.3333 1 d D U P B 1
F5 F 0.3040(17) 0.1960(16) 0.3440(5) 0.047(3) Uani 0.3333 1 d D U P B 1
F6 F 0.3141(18) 0.1895(13) 0.2888(5) 0.052(3) Uani 0.3333 1 d D U P B 1
C35A C 0.3755(8) 0.1996(5) 0.3164(2) 0.0548(16) Uani 0.3333 1 d D U P B 2
F4A F 0.425(3) 0.1286(14) 0.3125(8) 0.054(4) Uani 0.3333 1 d D U P B 2
F5A F 0.2849(15) 0.2145(11) 0.2980(6) 0.057(3) Uani 0.3333 1 d D U P B 2
F6A F 0.326(2) 0.1828(16) 0.3470(5) 0.053(4) Uani 0.3333 1 d D U P B 2
C35B C 0.3755(8) 0.1996(5) 0.3164(2) 0.0548(16) Uani 0.3333 1 d D U P B 3
F4B F 0.413(2) 0.1256(12) 0.3266(7) 0.054(4) Uani 0.3333 1 d D U P B 3
F5B F 0.3662(16) 0.1760(11) 0.2817(4) 0.056(3) Uani 0.3333 1 d D U P B 3
F6B F 0.2735(13) 0.2082(11) 0.3274(6) 0.067(3) Uani 0.3333 1 d D U P B 3
C36 C 0.5321(9) 0.6840(5) 0.3573(3) 0.048(2) Uani 1 1 d . . . . .
H36 H 0.610521 0.676529 0.351583 0.057 Uiso 1 1 calc R U . . .
C37 C 0.4852(14) 0.7398(9) 0.3324(4) 0.097(5) Uani 1 1 d . . . . .
H37A H 0.529038 0.788591 0.331648 0.145 Uiso 1 1 calc R U . . .
H37B H 0.410730 0.753176 0.338941 0.145 Uiso 1 1 calc R U . . .
H37C H 0.484894 0.714516 0.310289 0.145 Uiso 1 1 calc R U . . .
C38 C 0.5260(11) 0.7213(6) 0.3927(3) 0.071(4) Uani 1 1 d . . . . .
H38A H 0.597876 0.741024 0.399211 0.106 Uiso 1 1 calc R U . . .
H38B H 0.502073 0.680674 0.408799 0.106 Uiso 1 1 calc R U . . .
H38C H 0.474209 0.765673 0.392618 0.106 Uiso 1 1 calc R U . . .


_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 C9 1.949(7) . ?
Pt1 C12 2.027(8) . ?
Pt1 C1 2.032(9) . ?
Pt1 Cl1 2.381(2) . ?
N1 C1 1.314(11) . ?
N1 C2 1.420(11) . ?
N1 C13 1.479(11) . ?
N2 C1 1.385(10) . ?
N2 C3 1.389(11) . ?
N2 C4 1.423(10) . ?
N3 C10 1.359(11) . ?
N3 C12 1.380(9) . ?
N3 C8 1.441(11) . ?
N4 C12 1.333(10) . ?
N4 C11 1.378(11) . ?
N4 C17 1.448(12) . ?
C2 C3 1.346(13) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C9 1.383(12) . ?
C4 C5 1.391(11) . ?
C5 C6 1.404(12) . ?
C5 H5 0.9500 . ?
C6 C7 1.398(13) . ?
C6 C16B 1.465(11) . ?
C6 C16 1.465(11) . ?
C6 C16A 1.465(11) . ?
C7 C8 1.358(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.372(11) . ?
C10 C11 1.355(13) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C13 C14 1.484(13) . ?
C13 C15 1.535(14) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 F2 1.344(15) . ?
C16 F3 1.400(15) . ?
C16 F1 1.401(15) . ?
C16A F3A 1.342(15) . ?
C16A F1A 1.380(16) . ?
C16A F2A 1.409(15) . ?
C16B F1B 1.340(15) . ?
C16B F2B 1.360(15) . ?
C16B F3B 1.368(15) . ?
C17 C19 1.514(14) . ?
C17 C18 1.518(13) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
Pt2 C28 1.934(8) . ?
Pt2 C31 2.025(10) . ?
Pt2 C20 2.047(8) . ?
Pt2 Cl2 2.389(2) . ?
N5 C20 1.319(10) . ?
N5 C21 1.435(11) . ?
N5 C32 1.481(11) . ?
N6 C20 1.385(10) . ?
N6 C22 1.386(11) . ?
N6 C23 1.411(11) . ?
N7 C31 1.387(11) . ?
N7 C29 1.394(12) . ?
N7 C27 1.422(10) . ?
N8 C31 1.350(11) . ?
N8 C30 1.414(11) . ?
N8 C36 1.442(11) . ?
C21 C22 1.338(14) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.344(12) . ?
C23 C28 1.422(11) . ?
C24 C25 1.377(13) . ?
C24 H24 0.9500 . ?
C25 C26 1.346(14) . ?
C25 C35B 1.513(12) . ?
C25 C35 1.513(12) . ?
C25 C35A 1.513(12) . ?
C26 C27 1.383(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.355(12) . ?
C29 C30 1.293(14) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C32 C33 1.485(15) . ?
C32 C34 1.556(14) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 F6 1.346(16) . ?
C35 F4 1.365(17) . ?
C35 F5 1.411(17) . ?
C35A F4A 1.348(17) . ?
C35A F5A 1.359(15) . ?
C35A F6A 1.395(17) . ?
C35B F6B 1.339(15) . ?
C35B F4B 1.384(16) . ?
C35B F5B 1.444(15) . ?
C36 C37 1.479(16) . ?
C36 C38 1.548(14) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?

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
C9 Pt1 C12 78.5(3) . . ?
C9 Pt1 C1 79.8(3) . . ?
C12 Pt1 C1 158.2(3) . . ?
C9 Pt1 Cl1 177.6(3) . . ?
C12 Pt1 Cl1 101.2(2) . . ?
C1 Pt1 Cl1 100.3(2) . . ?
C1 N1 C2 111.4(7) . . ?
C1 N1 C13 124.4(7) . . ?
C2 N1 C13 123.8(8) . . ?
C1 N2 C3 111.5(7) . . ?
C1 N2 C4 117.1(7) . . ?
C3 N2 C4 130.9(7) . . ?
C10 N3 C12 111.9(7) . . ?
C10 N3 C8 132.7(7) . . ?
C12 N3 C8 115.3(7) . . ?
C12 N4 C11 111.4(7) . . ?
C12 N4 C17 123.7(7) . . ?
C11 N4 C17 124.8(8) . . ?
N1 C1 N2 104.4(7) . . ?
N1 C1 Pt1 143.0(6) . . ?
N2 C1 Pt1 112.6(6) . . ?
C3 C2 N1 106.8(8) . . ?
C3 C2 H2 126.6 . . ?
N1 C2 H2 126.6 . . ?
C2 C3 N2 105.6(8) . . ?
C2 C3 H3 127.2 . . ?
N2 C3 H3 127.2 . . ?
C9 C4 C5 120.5(8) . . ?
C9 C4 N2 111.1(7) . . ?
C5 C4 N2 127.9(8) . . ?
C4 C5 C6 117.1(8) . . ?
C4 C5 H5 121.5 . . ?
C6 C5 H5 121.5 . . ?
C7 C6 C5 122.4(7) . . ?
C7 C6 C16B 119.5(8) . . ?
C5 C6 C16B 118.1(8) . . ?
C7 C6 C16 119.5(8) . . ?
C5 C6 C16 118.1(8) . . ?
C7 C6 C16A 119.5(8) . . ?
C5 C6 C16A 118.1(8) . . ?
C8 C7 C6 117.9(8) . . ?
C8 C7 H7 121.1 . . ?
C6 C7 H7 121.1 . . ?
C7 C8 C9 121.6(8) . . ?
C7 C8 N3 127.7(8) . . ?
C9 C8 N3 110.7(6) . . ?
C8 C9 C4 120.5(7) . . ?
C8 C9 Pt1 120.1(6) . . ?
C4 C9 Pt1 119.0(6) . . ?
C11 C10 N3 105.6(7) . . ?
C11 C10 H10 127.2 . . ?
N3 C10 H10 127.2 . . ?
C10 C11 N4 107.3(9) . . ?
C10 C11 H11 126.3 . . ?
N4 C11 H11 126.3 . . ?
N4 C12 N3 103.6(7) . . ?
N4 C12 Pt1 141.7(6) . . ?
N3 C12 Pt1 114.6(6) . . ?
N1 C13 C14 110.6(8) . . ?
N1 C13 C15 110.0(8) . . ?
C14 C13 C15 112.6(8) . . ?
N1 C13 H13 107.8 . . ?
C14 C13 H13 107.8 . . ?
C15 C13 H13 107.8 . . ?
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 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
F2 C16 F3 107.8(14) . . ?
F2 C16 F1 100.5(15) . . ?
F3 C16 F1 101.7(14) . . ?
F2 C16 C6 119.1(11) . . ?
F3 C16 C6 111.8(10) . . ?
F1 C16 C6 114.0(10) . . ?
F3A C16A F1A 110.1(15) . . ?
F3A C16A F2A 105.5(14) . . ?
F1A C16A F2A 103.9(14) . . ?
F3A C16A C6 114.6(11) . . ?
F1A C16A C6 110.0(12) . . ?
F2A C16A C6 112.1(10) . . ?
F1B C16B F2B 97.5(15) . . ?
F1B C16B F3B 110.3(15) . . ?
F2B C16B F3B 102.5(14) . . ?
F1B C16B C6 114.6(11) . . ?
F2B C16B C6 115.8(11) . . ?
F3B C16B C6 114.3(10) . . ?
N4 C17 C19 109.4(8) . . ?
N4 C17 C18 111.8(9) . . ?
C19 C17 C18 111.7(9) . . ?
N4 C17 H17 107.9 . . ?
C19 C17 H17 107.9 . . ?
C18 C17 H17 107.9 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C28 Pt2 C31 78.5(3) . . ?
C28 Pt2 C20 79.4(3) . . ?
C31 Pt2 C20 157.7(3) . . ?
C28 Pt2 Cl2 179.4(2) . . ?
C31 Pt2 Cl2 101.1(3) . . ?
C20 Pt2 Cl2 101.1(2) . . ?
C20 N5 C21 109.7(7) . . ?
C20 N5 C32 125.4(7) . . ?
C21 N5 C32 124.8(7) . . ?
C20 N6 C22 109.7(7) . . ?
C20 N6 C23 119.7(7) . . ?
C22 N6 C23 130.4(7) . . ?
C31 N7 C29 109.8(8) . . ?
C31 N7 C27 116.8(7) . . ?
C29 N7 C27 133.3(8) . . ?
C31 N8 C30 108.3(7) . . ?
C31 N8 C36 124.7(8) . . ?
C30 N8 C36 126.9(7) . . ?
N5 C20 N6 106.4(7) . . ?
N5 C20 Pt2 141.1(6) . . ?
N6 C20 Pt2 112.0(6) . . ?
C22 C21 N5 106.8(8) . . ?
C22 C21 H21 126.6 . . ?
N5 C21 H21 126.6 . . ?
C21 C22 N6 107.4(8) . . ?
C21 C22 H22 126.3 . . ?
N6 C22 H22 126.3 . . ?
C24 C23 N6 129.9(8) . . ?
C24 C23 C28 121.8(9) . . ?
N6 C23 C28 108.1(7) . . ?
C23 C24 C25 116.7(9) . . ?
C23 C24 H24 121.7 . . ?
C25 C24 H24 121.7 . . ?
C26 C25 C24 124.9(9) . . ?
C26 C25 C35B 117.1(9) . . ?
C24 C25 C35B 117.9(9) . . ?
C26 C25 C35 117.1(9) . . ?
C24 C25 C35 117.9(9) . . ?
C26 C25 C35A 117.1(9) . . ?
C24 C25 C35A 117.9(9) . . ?
C25 C26 C27 116.6(9) . . ?
C25 C26 H26 121.7 . . ?
C27 C26 H26 121.7 . . ?
C28 C27 C26 122.4(8) . . ?
C28 C27 N7 109.8(7) . . ?
C26 C27 N7 127.8(8) . . ?
C27 C28 C23 117.4(7) . . ?
C27 C28 Pt2 121.8(6) . . ?
C23 C28 Pt2 120.8(6) . . ?
C30 C29 N7 106.8(9) . . ?
C30 C29 H29 126.6 . . ?
N7 C29 H29 126.6 . . ?
C29 C30 N8 109.7(9) . . ?
C29 C30 H30 125.1 . . ?
N8 C30 H30 125.1 . . ?
N8 C31 N7 105.2(8) . . ?
N8 C31 Pt2 141.6(7) . . ?
N7 C31 Pt2 113.2(6) . . ?
N5 C32 C33 110.9(9) . . ?
N5 C32 C34 110.6(7) . . ?
C33 C32 C34 113.2(9) . . ?
N5 C32 H32 107.3 . . ?
C33 C32 H32 107.3 . . ?
C34 C32 H32 107.3 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
F6 C35 F4 109.2(18) . . ?
F6 C35 F5 106.4(16) . . ?
F4 C35 F5 106(2) . . ?
F6 C35 C25 118.6(12) . . ?
F4 C35 C25 105.3(15) . . ?
F5 C35 C25 111.1(14) . . ?
F4A C35A F5A 118.4(16) . . ?
F4A C35A F6A 97(2) . . ?
F5A C35A F6A 98.5(17) . . ?
F4A C35A C25 116.5(18) . . ?
F5A C35A C25 111.6(10) . . ?
F6A C35A C25 111.9(15) . . ?
F6B C35B F4B 108.4(14) . . ?
F6B C35B F5B 105.6(13) . . ?
F4B C35B F5B 93.6(14) . . ?
F6B C35B C25 116.8(11) . . ?
F4B C35B C25 120.3(14) . . ?
F5B C35B C25 108.6(10) . . ?
N8 C36 C37 113.3(10) . . ?
N8 C36 C38 110.3(8) . . ?
C37 C36 C38 109.8(9) . . ?
N8 C36 H36 107.7 . . ?
C37 C36 H36 107.7 . . ?
C38 C36 H36 107.7 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

_refine_diff_density_max         2.119
_refine_diff_density_min         -1.943
_refine_diff_density_rms         0.145

####################################################################### 
# 
# 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_1_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2247274'
loop_
_audit_author_name
_audit_author_address
'Jie Yan'
;City University of Hong Kong
China
;
_audit_update_record             
;
2023-03-08 deposited with the CCDC.	2023-05-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15.33 H12.67 Cl1.67 F3 N4 Pt'
_chemical_formula_weight         564.13

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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   22.9117(7)
_cell_length_b                   10.5094(3)
_cell_length_c                   23.4650(6)
_cell_angle_alpha                90
_cell_angle_beta                 118.9560(10)
_cell_angle_gamma                90
_cell_volume                     4943.8(2)
_cell_formula_units_Z            12
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9945
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      26.36

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.274
_exptl_crystal_F_000             3192
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    8.823
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3201
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'Bruker D8 Venture PhotonII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43144
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.188
_diffrn_reflns_theta_max         26.394
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10105
_reflns_number_gt                9043
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker Apex3'
_computing_cell_refinement       'Bruker Saint'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0298P)²+6.3542P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10105
_refine_ls_number_parameters     709
_refine_ls_number_restraints     70
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0249
_refine_ls_wR_factor_ref         0.0603
_refine_ls_wR_factor_gt          0.0579
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.76908(2) 0.89194(2) 0.79959(2) 0.02208(5) Uani 1 1 d . . . . .
Pt2 Pt 0.82884(2) 0.54713(2) 0.73224(2) 0.02211(5) Uani 1 1 d . . . . .
Pt3 Pt 0.19512(2) 0.78647(2) 0.18909(2) 0.02220(5) Uani 1 1 d . . . . .
Cl1 Cl 0.74233(7) 0.87807(12) 0.88681(5) 0.0385(3) Uani 1 1 d . . . . .
Cl2 Cl 0.94055(6) 0.53031(11) 0.74888(6) 0.0359(3) Uani 1 1 d . . . . .
Cl3 Cl 0.10486(6) 0.79581(11) 0.07859(5) 0.0355(3) Uani 1 1 d . . . . .
F1 F 0.8006(2) 0.8261(3) 0.52594(16) 0.0683(11) Uani 1 1 d . . . . .
F2 F 0.8129(2) 1.0211(3) 0.54059(16) 0.0693(11) Uani 1 1 d . . . . .
F3 F 0.89547(18) 0.9002(6) 0.58868(17) 0.114(2) Uani 1 1 d . . . . .
F4 F 0.5114(2) 0.4620(4) 0.6699(3) 0.113(2) Uani 1 1 d . . . . .
F5 F 0.50274(17) 0.6593(4) 0.6485(2) 0.0856(13) Uani 1 1 d . . . . .
F6 F 0.53694(18) 0.5967(4) 0.74317(19) 0.0798(12) Uani 1 1 d . . . . .
F7 F 0.4667(2) 0.8412(4) 0.48858(19) 0.124(2) Uani 1 1 d . . . . .
F8 F 0.4058(2) 0.7405(5) 0.51637(17) 0.1036(17) Uani 1 1 d . . . . .
F9 F 0.4622(2) 0.6418(4) 0.48270(17) 0.0893(14) Uani 1 1 d . . . . .
N1 N 0.61152(19) 0.9115(3) 0.70473(18) 0.0304(8) Uani 1 1 d . . . . .
N2 N 0.67593(18) 0.9063(3) 0.66241(17) 0.0254(8) Uani 1 1 d . . . . .
N3 N 0.89914(18) 0.8804(3) 0.80892(15) 0.0229(7) Uani 1 1 d . . . . .
N4 N 0.92168(19) 0.8666(3) 0.90896(16) 0.0283(8) Uani 1 1 d . . . . .
N5 N 0.89434(19) 0.5343(3) 0.88758(17) 0.0289(8) Uani 1 1 d . . . . .
N6 N 0.78807(18) 0.5495(3) 0.83074(17) 0.0254(8) Uani 1 1 d . . . . .
N7 N 0.70775(19) 0.5664(3) 0.60973(17) 0.0291(8) Uani 1 1 d . . . . .
N8 N 0.7824(2) 0.5500(3) 0.57960(18) 0.0320(9) Uani 1 1 d . . . . .
N9 N 0.2919(2) 0.7761(3) 0.12672(19) 0.0333(9) Uani 1 1 d . . . . .
N10 N 0.33566(18) 0.7670(3) 0.23091(18) 0.0310(8) Uani 1 1 d . . . . .
N11 N 0.18521(19) 0.7820(3) 0.30674(17) 0.0277(8) Uani 1 1 d . . . . .
N12 N 0.08285(19) 0.7958(3) 0.23278(18) 0.0305(8) Uani 1 1 d . . . . .
C1 C 0.6765(2) 0.9043(4) 0.7216(2) 0.0259(9) Uani 1 1 d . . . . .
C2 C 0.5719(2) 0.9181(4) 0.6379(2) 0.0353(11) Uani 1 1 d . . . . .
H2 H 0.524604 0.924358 0.615009 0.042 Uiso 1 1 calc R U . . .
C3 C 0.6116(2) 0.9141(4) 0.6113(2) 0.0309(10) Uani 1 1 d . . . . .
H3 H 0.598395 0.916117 0.566167 0.037 Uiso 1 1 calc R U . . .
C4 C 0.7391(2) 0.9019(4) 0.66496(19) 0.0229(9) Uani 1 1 d . . . . .
C5 C 0.7521(2) 0.9057(4) 0.6130(2) 0.0273(9) Uani 1 1 d . . . . .
H5 H 0.717102 0.911204 0.569312 0.033 Uiso 1 1 calc R U . . .
C6 C 0.8186(2) 0.9013(4) 0.6277(2) 0.0252(9) Uani 1 1 d . . . . .
C7 C 0.8714(2) 0.8928(4) 0.6918(2) 0.0258(9) Uani 1 1 d . . . . .
H7 H 0.916531 0.889658 0.700964 0.031 Uiso 1 1 calc R U . . .
C8 C 0.8546(2) 0.8892(4) 0.74079(19) 0.0234(9) Uani 1 1 d . . . . .
C9 C 0.7893(2) 0.8942(4) 0.72877(19) 0.0236(9) Uani 1 1 d . . . . .
C10 C 0.9675(2) 0.8719(4) 0.8452(2) 0.0294(9) Uani 1 1 d . . . . .
H10 H 0.998376 0.871537 0.829052 0.035 Uiso 1 1 calc R U . . .
C11 C 0.9820(2) 0.8642(4) 0.9073(2) 0.0344(10) Uani 1 1 d . . . . .
H11 H 1.025324 0.858132 0.943931 0.041 Uiso 1 1 calc R U . . .
C12 C 0.8697(2) 0.8781(4) 0.84859(19) 0.0240(9) Uani 1 1 d . . . . .
C13 C 0.5862(3) 0.9128(5) 0.7512(3) 0.0423(12) Uani 1 1 d . . . . .
H13A H 0.542444 0.954434 0.731373 0.063 Uiso 1 1 calc R U . . .
H13B H 0.617267 0.959559 0.790399 0.063 Uiso 1 1 calc R U . . .
H13C H 0.581813 0.825202 0.763020 0.063 Uiso 1 1 calc R U . . .
C14 C 0.8334(3) 0.9124(5) 0.5727(2) 0.0356(11) Uani 1 1 d . . . . .
C15 C 0.9167(3) 0.8660(5) 0.9686(2) 0.0387(12) Uani 1 1 d . . . . .
H15A H 0.879356 0.811731 0.962600 0.058 Uiso 1 1 calc R U . . .
H15B H 0.909154 0.952930 0.978692 0.058 Uiso 1 1 calc R U . . .
H15C H 0.958215 0.832954 1.004546 0.058 Uiso 1 1 calc R U . . .
C16 C 0.8453(2) 0.5422(4) 0.8253(2) 0.0260(9) Uani 1 1 d . . . . .
C17 C 0.8682(3) 0.5351(5) 0.9300(2) 0.0370(11) Uani 1 1 d . . . . .
H17 H 0.892957 0.529610 0.976147 0.044 Uiso 1 1 calc R U . . .
C18 C 0.8022(3) 0.5451(4) 0.8943(2) 0.0350(11) Uani 1 1 d . . . . .
H18 H 0.770987 0.548426 0.910018 0.042 Uiso 1 1 calc R U . . .
C19 C 0.7270(2) 0.5591(4) 0.7712(2) 0.0266(9) Uani 1 1 d . . . . .
C20 C 0.6636(2) 0.5628(4) 0.7630(2) 0.0304(10) Uani 1 1 d . . . . .
H20 H 0.656050 0.559316 0.799375 0.037 Uiso 1 1 calc R U . . .
C21 C 0.6103(2) 0.5719(4) 0.6996(2) 0.0325(10) Uani 1 1 d . . . . .
C22 C 0.6200(2) 0.5764(4) 0.6446(2) 0.0311(10) Uani 1 1 d . . . . .
H22 H 0.583650 0.584215 0.601695 0.037 Uiso 1 1 calc R U . . .
C23 C 0.6852(2) 0.5689(4) 0.6564(2) 0.0250(9) Uani 1 1 d . . . . .
C24 C 0.7392(2) 0.5596(4) 0.7189(2) 0.0218(8) Uani 1 1 d . . . . .
C25 C 0.6741(3) 0.5691(5) 0.5430(2) 0.0375(11) Uani 1 1 d . . . . .
H25 H 0.627269 0.576675 0.515599 0.045 Uiso 1 1 calc R U . . .
C26 C 0.7208(3) 0.5589(5) 0.5242(2) 0.0386(11) Uani 1 1 d . . . . .
H26 H 0.712879 0.558024 0.480560 0.046 Uiso 1 1 calc R U . . .
C27 C 0.7755(2) 0.5545(4) 0.6337(2) 0.0279(9) Uani 1 1 d . . . . .
C28 C 0.9645(2) 0.5200(5) 0.9078(2) 0.0362(11) Uani 1 1 d . . . . .
H28A H 0.989911 0.586486 0.939473 0.054 Uiso 1 1 calc R U . . .
H28B H 0.971285 0.527539 0.869831 0.054 Uiso 1 1 calc R U . . .
H28C H 0.979795 0.436192 0.927935 0.054 Uiso 1 1 calc R U . . .
C29 C 0.5413(3) 0.5704(5) 0.6886(3) 0.0422(12) Uani 1 1 d . . . . .
C30 C 0.8448(3) 0.5374(5) 0.5799(2) 0.0406(12) Uani 1 1 d . . . . .
H30A H 0.880240 0.577112 0.619282 0.061 Uiso 1 1 calc R U . . .
H30B H 0.841991 0.579461 0.541348 0.061 Uiso 1 1 calc R U . . .
H30C H 0.855002 0.446991 0.579243 0.061 Uiso 1 1 calc R U . . .
C31 C 0.2751(2) 0.7775(4) 0.1744(2) 0.0280(9) Uani 1 1 d . . . . .
C32 C 0.3607(3) 0.7697(5) 0.1527(3) 0.0446(13) Uani 1 1 d . . . . .
H32 H 0.384230 0.769865 0.128644 0.053 Uiso 1 1 calc R U . . .
C33 C 0.3880(3) 0.7632(5) 0.2176(3) 0.0407(12) Uani 1 1 d . . . . .
H33 H 0.434141 0.757246 0.248256 0.049 Uiso 1 1 calc R U . . .
C34 C 0.3326(2) 0.7645(4) 0.2898(2) 0.0277(9) Uani 1 1 d . . . . .
C35 C 0.3855(2) 0.7546(4) 0.3535(2) 0.0372(11) Uani 1 1 d . . . . .
H35 H 0.430367 0.748592 0.361794 0.045 Uiso 1 1 calc R U . . .
C36 C 0.3705(3) 0.7538(4) 0.4038(2) 0.0373(11) Uani 1 1 d . . . . .
C37 C 0.3050(3) 0.7625(4) 0.3928(2) 0.0357(11) Uani 1 1 d . . . . .
H37 H 0.295593 0.761573 0.428083 0.043 Uiso 1 1 calc R U . . .
C38 C 0.2543(2) 0.7726(4) 0.3294(2) 0.0283(9) Uani 1 1 d . . . . .
C39 C 0.2678(2) 0.7738(4) 0.2774(2) 0.0264(9) Uani 1 1 d . . . . .
C40 C 0.1481(3) 0.7838(4) 0.3381(2) 0.0354(11) Uani 1 1 d . . . . .
H40 H 0.164675 0.779509 0.383782 0.042 Uiso 1 1 calc R U . . .
C41 C 0.0845(3) 0.7926(4) 0.2926(2) 0.0361(11) Uani 1 1 d . . . . .
H41 H 0.047135 0.796168 0.299805 0.043 Uiso 1 1 calc R U . . .
C42 C 0.1449(2) 0.7892(4) 0.2402(2) 0.0257(9) Uani 1 1 d . . . . .
C43 C 0.2434(3) 0.7865(5) 0.0578(2) 0.0452(13) Uani 1 1 d . . . . .
H43A H 0.266614 0.783213 0.032002 0.068 Uiso 1 1 calc R U . . .
H43B H 0.219407 0.867361 0.049740 0.068 Uiso 1 1 calc R U . . .
H43C H 0.211641 0.715819 0.045187 0.068 Uiso 1 1 calc R U . . .
C44 C 0.4266(3) 0.7440(5) 0.4718(3) 0.0534(15) Uani 1 1 d . . . . .
C45 C 0.0220(2) 0.7950(5) 0.1707(3) 0.0424(12) Uani 1 1 d . . . . .
H45A H 0.031312 0.826596 0.136679 0.064 Uiso 1 1 calc R U . . .
H45B H -0.011247 0.849891 0.173309 0.064 Uiso 1 1 calc R U . . .
H45C H 0.004659 0.707923 0.160243 0.064 Uiso 1 1 calc R U . . .
C46 C 0.3720(13) 0.1728(19) 0.5882(17) 0.054(6) Uani 0.4 1 d D U P A 1
H46A H 0.385081 0.206095 0.632269 0.065 Uiso 0.4 1 calc R U P A 1
H46B H 0.329972 0.214883 0.556772 0.065 Uiso 0.4 1 calc R U P A 1
Cl4 Cl 0.3602(6) 0.0088(11) 0.5864(6) 0.064(2) Uani 0.4 1 d D U P A 1
Cl5 Cl 0.43506(19) 0.2059(4) 0.5679(3) 0.0690(12) Uani 0.4 1 d D U P A 1
C46A C 0.3540(7) 0.1674(13) 0.5778(10) 0.044(3) Uani 0.6 1 d D U P B 2
H46C H 0.332486 0.183397 0.604945 0.053 Uiso 0.6 1 calc R U P B 2
H46D H 0.323201 0.198359 0.533270 0.053 Uiso 0.6 1 calc R U P B 2
Cl4A Cl 0.3644(4) 0.0063(7) 0.5745(4) 0.100(3) Uani 0.6 1 d D U P B 2
Cl5A Cl 0.42747(15) 0.2554(3) 0.60905(15) 0.0750(8) Uani 0.6 1 d D U P B 2


_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 C9 1.929(4) . ?
Pt1 C12 2.023(4) . ?
Pt1 C1 2.026(4) . ?
Pt1 Cl1 2.4084(11) . ?
Pt2 C24 1.928(4) . ?
Pt2 C27 2.027(4) . ?
Pt2 C16 2.029(4) . ?
Pt2 Cl2 2.4015(11) . ?
Pt3 C39 1.935(4) . ?
Pt3 C31 2.023(5) . ?
Pt3 C42 2.025(4) . ?
Pt3 Cl3 2.4119(10) . ?
F1 C14 1.339(6) . ?
F2 C14 1.323(6) . ?
F3 C14 1.289(6) . ?
F4 C29 1.291(6) . ?
F5 C29 1.317(6) . ?
F6 C29 1.359(6) . ?
F7 C44 1.301(7) . ?
F8 C44 1.343(8) . ?
F9 C44 1.297(6) . ?
N1 C1 1.345(6) . ?
N1 C2 1.382(6) . ?
N1 C13 1.463(6) . ?
N2 C3 1.380(5) . ?
N2 C1 1.383(5) . ?
N2 C4 1.420(6) . ?
N3 C10 1.377(5) . ?
N3 C12 1.389(5) . ?
N3 C8 1.424(5) . ?
N4 C12 1.344(5) . ?
N4 C11 1.400(6) . ?
N4 C15 1.458(5) . ?
N5 C16 1.347(6) . ?
N5 C17 1.388(6) . ?
N5 C28 1.446(6) . ?
N6 C18 1.366(5) . ?
N6 C16 1.380(6) . ?
N6 C19 1.424(6) . ?
N7 C25 1.370(6) . ?
N7 C27 1.378(6) . ?
N7 C23 1.420(5) . ?
N8 C27 1.353(5) . ?
N8 C26 1.383(6) . ?
N8 C30 1.434(6) . ?
N9 C31 1.348(6) . ?
N9 C32 1.391(7) . ?
N9 C43 1.457(6) . ?
N10 C33 1.379(6) . ?
N10 C31 1.384(6) . ?
N10 C34 1.418(6) . ?
N11 C40 1.367(6) . ?
N11 C42 1.379(5) . ?
N11 C38 1.408(6) . ?
N12 C42 1.348(6) . ?
N12 C41 1.387(6) . ?
N12 C45 1.449(6) . ?
C2 C3 1.331(7) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C9 1.380(6) . ?
C4 C5 1.389(6) . ?
C5 C6 1.390(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.404(6) . ?
C6 C14 1.490(6) . ?
C7 C8 1.379(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.382(6) . ?
C10 C11 1.332(6) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C17 C18 1.332(7) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.370(6) . ?
C19 C24 1.383(6) . ?
C20 C21 1.397(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.413(6) . ?
C21 C29 1.476(7) . ?
C22 C23 1.382(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(6) . ?
C25 C26 1.345(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C32 C33 1.339(8) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C39 1.372(6) . ?
C34 C35 1.399(6) . ?
C35 C36 1.382(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.398(7) . ?
C36 C44 1.491(7) . ?
C37 C38 1.379(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.396(6) . ?
C40 C41 1.328(7) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 Cl4 1.743(17) . ?
C46 Cl5 1.760(18) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46A Cl4A 1.717(13) . ?
C46A Cl5A 1.742(12) . ?
C46A H46C 0.9900 . ?
C46A H46D 0.9900 . ?

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
C9 Pt1 C12 78.90(17) . . ?
C9 Pt1 C1 78.71(18) . . ?
C12 Pt1 C1 157.60(17) . . ?
C9 Pt1 Cl1 177.13(12) . . ?
C12 Pt1 Cl1 101.64(12) . . ?
C1 Pt1 Cl1 100.69(12) . . ?
C24 Pt2 C27 78.83(18) . . ?
C24 Pt2 C16 78.74(17) . . ?
C27 Pt2 C16 157.55(18) . . ?
C24 Pt2 Cl2 179.68(12) . . ?
C27 Pt2 Cl2 101.21(13) . . ?
C16 Pt2 Cl2 101.22(13) . . ?
C39 Pt3 C31 78.39(19) . . ?
C39 Pt3 C42 78.92(18) . . ?
C31 Pt3 C42 157.30(17) . . ?
C39 Pt3 Cl3 178.35(12) . . ?
C31 Pt3 Cl3 101.22(13) . . ?
C42 Pt3 Cl3 101.46(13) . . ?
C1 N1 C2 111.3(4) . . ?
C1 N1 C13 124.3(4) . . ?
C2 N1 C13 124.4(4) . . ?
C3 N2 C1 111.2(4) . . ?
C3 N2 C4 132.5(4) . . ?
C1 N2 C4 116.3(3) . . ?
C10 N3 C12 111.1(3) . . ?
C10 N3 C8 133.0(4) . . ?
C12 N3 C8 115.9(4) . . ?
C12 N4 C11 110.8(4) . . ?
C12 N4 C15 124.8(4) . . ?
C11 N4 C15 124.2(4) . . ?
C16 N5 C17 110.8(4) . . ?
C16 N5 C28 125.0(4) . . ?
C17 N5 C28 124.1(4) . . ?
C18 N6 C16 111.5(4) . . ?
C18 N6 C19 132.4(4) . . ?
C16 N6 C19 116.1(3) . . ?
C25 N7 C27 111.6(4) . . ?
C25 N7 C23 131.9(4) . . ?
C27 N7 C23 116.5(4) . . ?
C27 N8 C26 110.5(4) . . ?
C27 N8 C30 124.6(4) . . ?
C26 N8 C30 124.9(4) . . ?
C31 N9 C32 110.9(4) . . ?
C31 N9 C43 123.4(4) . . ?
C32 N9 C43 125.7(4) . . ?
C33 N10 C31 111.4(4) . . ?
C33 N10 C34 132.8(4) . . ?
C31 N10 C34 115.8(4) . . ?
C40 N11 C42 111.0(4) . . ?
C40 N11 C38 132.6(4) . . ?
C42 N11 C38 116.4(4) . . ?
C42 N12 C41 111.0(4) . . ?
C42 N12 C45 124.9(4) . . ?
C41 N12 C45 124.0(4) . . ?
N1 C1 N2 103.4(4) . . ?
N1 C1 Pt1 142.7(3) . . ?
N2 C1 Pt1 113.9(3) . . ?
C3 C2 N1 107.9(4) . . ?
C3 C2 H2 126.0 . . ?
N1 C2 H2 126.0 . . ?
C2 C3 N2 106.2(4) . . ?
C2 C3 H3 126.9 . . ?
N2 C3 H3 126.9 . . ?
C9 C4 C5 122.3(4) . . ?
C9 C4 N2 110.2(4) . . ?
C5 C4 N2 127.6(4) . . ?
C4 C5 C6 117.2(4) . . ?
C4 C5 H5 121.4 . . ?
C6 C5 H5 121.4 . . ?
C5 C6 C7 122.7(4) . . ?
C5 C6 C14 117.7(4) . . ?
C7 C6 C14 119.6(4) . . ?
C8 C7 C6 116.9(4) . . ?
C8 C7 H7 121.6 . . ?
C6 C7 H7 121.6 . . ?
C7 C8 C9 122.7(4) . . ?
C7 C8 N3 126.9(4) . . ?
C9 C8 N3 110.4(4) . . ?
C4 C9 C8 118.3(4) . . ?
C4 C9 Pt1 120.9(3) . . ?
C8 C9 Pt1 120.7(3) . . ?
C11 C10 N3 106.6(4) . . ?
C11 C10 H10 126.7 . . ?
N3 C10 H10 126.7 . . ?
C10 C11 N4 107.6(4) . . ?
C10 C11 H11 126.2 . . ?
N4 C11 H11 126.2 . . ?
N4 C12 N3 103.8(4) . . ?
N4 C12 Pt1 142.1(3) . . ?
N3 C12 Pt1 114.0(3) . . ?
N1 C13 H13A 109.5 . . ?
N1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
F3 C14 F2 106.9(5) . . ?
F3 C14 F1 105.8(5) . . ?
F2 C14 F1 102.4(4) . . ?
F3 C14 C6 115.0(4) . . ?
F2 C14 C6 113.2(4) . . ?
F1 C14 C6 112.5(4) . . ?
N4 C15 H15A 109.5 . . ?
N4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N5 C16 N6 103.5(4) . . ?
N5 C16 Pt2 142.4(3) . . ?
N6 C16 Pt2 114.1(3) . . ?
C18 C17 N5 107.6(4) . . ?
C18 C17 H17 126.2 . . ?
N5 C17 H17 126.2 . . ?
C17 C18 N6 106.6(4) . . ?
C17 C18 H18 126.7 . . ?
N6 C18 H18 126.7 . . ?
C20 C19 C24 122.1(4) . . ?
C20 C19 N6 127.7(4) . . ?
C24 C19 N6 110.2(4) . . ?
C19 C20 C21 118.1(4) . . ?
C19 C20 H20 120.9 . . ?
C21 C20 H20 120.9 . . ?
C20 C21 C22 122.2(4) . . ?
C20 C21 C29 119.7(4) . . ?
C22 C21 C29 118.0(4) . . ?
C23 C22 C21 116.5(4) . . ?
C23 C22 H22 121.7 . . ?
C21 C22 H22 121.7 . . ?
C22 C23 C24 122.6(4) . . ?
C22 C23 N7 127.4(4) . . ?
C24 C23 N7 110.0(4) . . ?
C19 C24 C23 118.5(4) . . ?
C19 C24 Pt2 120.9(3) . . ?
C23 C24 Pt2 120.6(3) . . ?
C26 C25 N7 106.0(4) . . ?
C26 C25 H25 127.0 . . ?
N7 C25 H25 127.0 . . ?
C25 C26 N8 108.0(4) . . ?
C25 C26 H26 126.0 . . ?
N8 C26 H26 126.0 . . ?
N8 C27 N7 103.9(4) . . ?
N8 C27 Pt2 142.1(4) . . ?
N7 C27 Pt2 114.0(3) . . ?
N5 C28 H28A 109.5 . . ?
N5 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N5 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
F4 C29 F5 108.8(5) . . ?
F4 C29 F6 103.4(5) . . ?
F5 C29 F6 101.6(4) . . ?
F4 C29 C21 114.5(4) . . ?
F5 C29 C21 114.1(4) . . ?
F6 C29 C21 113.2(5) . . ?
N8 C30 H30A 109.5 . . ?
N8 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N8 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N9 C31 N10 103.7(4) . . ?
N9 C31 Pt3 142.0(3) . . ?
N10 C31 Pt3 114.3(3) . . ?
C33 C32 N9 107.9(5) . . ?
C33 C32 H32 126.1 . . ?
N9 C32 H32 126.1 . . ?
C32 C33 N10 106.1(5) . . ?
C32 C33 H33 126.9 . . ?
N10 C33 H33 126.9 . . ?
C39 C34 C35 121.5(4) . . ?
C39 C34 N10 110.5(4) . . ?
C35 C34 N10 128.0(4) . . ?
C36 C35 C34 117.8(5) . . ?
C36 C35 H35 121.1 . . ?
C34 C35 H35 121.1 . . ?
C35 C36 C37 122.2(4) . . ?
C35 C36 C44 118.2(5) . . ?
C37 C36 C44 119.6(5) . . ?
C38 C37 C36 118.1(5) . . ?
C38 C37 H37 120.9 . . ?
C36 C37 H37 120.9 . . ?
C37 C38 C39 121.1(5) . . ?
C37 C38 N11 128.1(4) . . ?
C39 C38 N11 110.7(4) . . ?
C34 C39 C38 119.3(4) . . ?
C34 C39 Pt3 121.0(3) . . ?
C38 C39 Pt3 119.8(3) . . ?
C41 C40 N11 107.2(4) . . ?
C41 C40 H40 126.4 . . ?
N11 C40 H40 126.4 . . ?
C40 C41 N12 107.2(4) . . ?
C40 C41 H41 126.4 . . ?
N12 C41 H41 126.4 . . ?
N12 C42 N11 103.6(4) . . ?
N12 C42 Pt3 142.3(3) . . ?
N11 C42 Pt3 114.1(3) . . ?
N9 C43 H43A 109.5 . . ?
N9 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
N9 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
F9 C44 F7 107.8(6) . . ?
F9 C44 F8 104.4(5) . . ?
F7 C44 F8 104.5(5) . . ?
F9 C44 C36 113.8(5) . . ?
F7 C44 C36 112.8(5) . . ?
F8 C44 C36 112.8(5) . . ?
N12 C45 H45A 109.5 . . ?
N12 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
N12 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Cl4 C46 Cl5 109.1(12) . . ?
Cl4 C46 H46A 109.9 . . ?
Cl5 C46 H46A 109.9 . . ?
Cl4 C46 H46B 109.9 . . ?
Cl5 C46 H46B 109.9 . . ?
H46A C46 H46B 108.3 . . ?
Cl4A C46A Cl5A 114.5(9) . . ?
Cl4A C46A H46C 108.6 . . ?
Cl5A C46A H46C 108.6 . . ?
Cl4A C46A H46D 108.6 . . ?
Cl5A C46A H46D 108.6 . . ?
H46C C46A H46D 107.6 . . ?

_refine_diff_density_max         0.959
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.144

####################################################################### 
# 
# 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_9_a
_database_code_depnum_ccdc_archive 'CCDC 2247276'
loop_
_audit_author_name
_audit_author_address
'Jie Yan'
;City University of Hong Kong
China
;
_audit_update_record             
;
2023-03-08 deposited with the CCDC.	2023-05-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H29 Cl N4 Pt'
_chemical_formula_weight         580.03

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   10.8304(3)
_cell_length_b                   25.8800(7)
_cell_length_c                   17.1779(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.0080(10)
_cell_angle_gamma                90
_cell_volume                     4691.3(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    213(2)
_cell_measurement_reflns_used    9921
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      26.26

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_F_000             2272
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    6.110
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4771
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      213(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro focus'
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30971
_diffrn_reflns_av_unetI/netI     0.0644
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.183
_diffrn_reflns_theta_max         26.393
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             9530
_reflns_number_gt                6997
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker Apex3'
_computing_cell_refinement       'Bruker Saint'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0316P)²+2.8766P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9530
_refine_ls_number_parameters     578
_refine_ls_number_restraints     294
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_ref         0.0843
_refine_ls_wR_factor_gt          0.0721
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      0.993
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.39396(2) 0.76575(2) 0.44690(2) 0.03079(8) Uani 1 1 d . . . . .
Cl1 Cl 0.43475(19) 0.70060(6) 0.54883(9) 0.0498(5) Uani 1 1 d . . . . .
N1 N 0.2343(6) 0.8266(2) 0.5547(3) 0.0458(15) Uani 1 1 d . . . . .
N2 N 0.2585(5) 0.8617(2) 0.4461(3) 0.0388(13) Uani 1 1 d . . . . .
N3 N 0.4815(5) 0.76633(19) 0.3007(3) 0.0375(13) Uani 1 1 d . . . . .
N4 N 0.5698(5) 0.6978(2) 0.3591(3) 0.0426(14) Uani 1 1 d . . . . .
C1 C 0.2878(6) 0.8177(3) 0.4920(4) 0.0383(16) Uani 1 1 d . . . . .
C2 C 0.1715(8) 0.8736(3) 0.5467(4) 0.063(2) Uani 1 1 d . . . . .
H2 H 0.126686 0.887454 0.582699 0.076 Uiso 1 1 calc R U . . .
C3 C 0.1856(7) 0.8959(3) 0.4786(4) 0.051(2) Uani 1 1 d . . . . .
H3 H 0.153009 0.927910 0.457556 0.062 Uiso 1 1 calc R U . . .
C4 C 0.3029(6) 0.8634(2) 0.3737(3) 0.0351(15) Uani 1 1 d . . . . .
C5 C 0.2888(6) 0.9034(2) 0.3195(4) 0.0391(16) Uani 1 1 d . . . . .
H5 H 0.245549 0.933721 0.327325 0.047 Uiso 1 1 calc R U . . .
C6 C 0.3410(6) 0.8975(2) 0.2520(3) 0.0373(16) Uani 1 1 d . . . . .
C7 C 0.4040(6) 0.8522(3) 0.2417(4) 0.0390(16) Uani 1 1 d . . . . .
H7 H 0.438801 0.847985 0.196636 0.047 Uiso 1 1 calc R U . . .
C8 C 0.4151(6) 0.8132(2) 0.2981(3) 0.0332(14) Uani 1 1 d . . . . .
C9 C 0.3660(6) 0.8184(2) 0.3646(3) 0.0343(15) Uani 1 1 d . . . . .
C10 C 0.5500(7) 0.7444(2) 0.2499(4) 0.0448(18) Uani 1 1 d . . . . .
H10 H 0.557779 0.757386 0.200152 0.054 Uiso 1 1 calc R U . . .
C11 C 0.6022(7) 0.7019(3) 0.2850(4) 0.051(2) Uani 1 1 d . . . . .
H11 H 0.652381 0.678395 0.263944 0.061 Uiso 1 1 calc R U . . .
C12 C 0.4920(6) 0.7368(2) 0.3682(3) 0.0342(15) Uani 1 1 d . . . . .
C13 C 0.2370(8) 0.7894(3) 0.6201(4) 0.062(2) Uani 1 1 d . . . . .
H13 H 0.311076 0.766472 0.623490 0.074 Uiso 1 1 calc R U . . .
C14 C 0.1175(10) 0.7564(4) 0.6001(6) 0.101(4) Uani 1 1 d . . . . .
H14A H 0.121106 0.730292 0.641067 0.151 Uiso 1 1 calc R U . . .
H14B H 0.111600 0.739754 0.548802 0.151 Uiso 1 1 calc R U . . .
H14C H 0.043753 0.778131 0.597679 0.151 Uiso 1 1 calc R U . . .
C15 C 0.2519(9) 0.8173(3) 0.6996(4) 0.081(3) Uani 1 1 d . . . . .
H15A H 0.259377 0.792189 0.742229 0.122 Uiso 1 1 calc R U . . .
H15B H 0.178373 0.839000 0.698282 0.122 Uiso 1 1 calc R U . . .
H15C H 0.327485 0.838653 0.708857 0.122 Uiso 1 1 calc R U . . .
C16 C 0.3241(8) 0.9422(3) 0.1915(4) 0.057(2) Uani 1 1 d . . . . .
C17 C 0.1922(9) 0.9440(5) 0.1462(6) 0.136(5) Uani 1 1 d . . . . .
H17A H 0.181047 0.972893 0.109380 0.204 Uiso 1 1 calc R U . . .
H17B H 0.136477 0.948109 0.182800 0.204 Uiso 1 1 calc R U . . .
H17C H 0.171661 0.912063 0.116472 0.204 Uiso 1 1 calc R U . . .
C18 C 0.3584(12) 0.9944(3) 0.2346(5) 0.115(4) Uani 1 1 d . . . . .
H18A H 0.350777 1.021839 0.195345 0.172 Uiso 1 1 calc R U . . .
H18B H 0.444740 0.993069 0.266060 0.172 Uiso 1 1 calc R U . . .
H18C H 0.301055 1.001070 0.269473 0.172 Uiso 1 1 calc R U . . .
C19 C 0.4117(8) 0.9364(3) 0.1338(4) 0.067(2) Uani 1 1 d . . . . .
H19A H 0.403300 0.966422 0.099151 0.100 Uiso 1 1 calc R U . . .
H19B H 0.388767 0.905579 0.101650 0.100 Uiso 1 1 calc R U . . .
H19C H 0.498711 0.933536 0.163808 0.100 Uiso 1 1 calc R U . . .
C20 C 0.6138(8) 0.6563(3) 0.4183(4) 0.059(2) Uani 1 1 d . . . . .
H20 H 0.594357 0.667280 0.469401 0.071 Uiso 1 1 calc R U . . .
C21 C 0.7543(10) 0.6494(4) 0.4325(6) 0.133(5) Uani 1 1 d . . . . .
H21A H 0.781617 0.623691 0.473879 0.200 Uiso 1 1 calc R U . . .
H21B H 0.796061 0.682001 0.449341 0.200 Uiso 1 1 calc R U . . .
H21C H 0.776269 0.638038 0.383538 0.200 Uiso 1 1 calc R U . . .
C22 C 0.5398(12) 0.6077(3) 0.3919(7) 0.118(4) Uani 1 1 d . . . . .
H22A H 0.565384 0.581047 0.431926 0.177 Uiso 1 1 calc R U . . .
H22B H 0.556371 0.596168 0.341465 0.177 Uiso 1 1 calc R U . . .
H22C H 0.450010 0.614621 0.385201 0.177 Uiso 1 1 calc R U . . .
Pt2 Pt 0.92049(3) 0.59226(2) 0.19104(2) 0.03540(8) Uani 1 1 d . . . . .
Cl2 Cl 0.94723(19) 0.50299(6) 0.16219(10) 0.0533(5) Uani 1 1 d . . . . .
N5 N 1.1260(6) 0.5731(2) 0.3536(3) 0.0516(16) Uani 1 1 d . . . . .
N6 N 1.0503(6) 0.6497(2) 0.3290(3) 0.0435(14) Uani 1 1 d . . . . .
N7 N 0.7674(6) 0.6677(2) 0.0897(3) 0.0491(15) Uani 1 1 d . . . . .
N8 N 0.7294(6) 0.5981(2) 0.0190(3) 0.0507(16) Uani 1 1 d . . . . .
C23 C 1.0418(7) 0.5995(2) 0.2988(4) 0.0412(16) Uani 1 1 d . . . . .
C24 C 1.1896(8) 0.6060(3) 0.4135(4) 0.066(2) Uani 1 1 d . . . . .
H24 H 1.255052 0.596567 0.457023 0.080 Uiso 1 1 calc R U . . .
C25 C 1.1413(8) 0.6532(3) 0.3982(4) 0.060(2) Uani 1 1 d . . . . .
H25 H 1.165174 0.683125 0.429021 0.072 Uiso 1 1 calc R U . . .
C26 C 0.9725(6) 0.6872(2) 0.2818(4) 0.0407(17) Uani 1 1 d . . . . .
C27 C 0.9668(7) 0.7394(3) 0.2968(5) 0.053(2) Uani 1 1 d . . . . .
H27 H 1.016366 0.753633 0.343954 0.064 Uiso 1 1 calc R U . . .
C28 C 0.8870(8) 0.7707(3) 0.2417(6) 0.059(2) Uani 1 1 d . . . . .
C29 C 0.8166(8) 0.7488(3) 0.1712(5) 0.059(2) Uani 1 1 d . . . . .
H29 H 0.763571 0.769606 0.132754 0.070 Uiso 1 1 calc R U . . .
C30 C 0.8257(6) 0.6961(3) 0.1585(4) 0.0414(17) Uani 1 1 d . . . . .
C31 C 0.9029(6) 0.6651(2) 0.2127(4) 0.0413(17) Uani 1 1 d . . . . .
C32 C 0.6845(8) 0.6808(3) 0.0204(5) 0.067(2) Uani 1 1 d . . . . .
H32 H 0.650458 0.713820 0.006272 0.081 Uiso 1 1 calc R U . . .
C33 C 0.6612(9) 0.6385(4) -0.0229(5) 0.077(3) Uani 1 1 d . . . . .
H33 H 0.607102 0.636153 -0.073872 0.092 Uiso 1 1 calc R U . . .
C34 C 0.7959(7) 0.6150(3) 0.0892(4) 0.0431(17) Uani 1 1 d . . . . .
C35 C 1.1554(9) 0.5180(3) 0.3439(5) 0.072(3) Uani 1 1 d . . . . .
H35 H 1.080391 0.502610 0.307582 0.086 Uiso 1 1 calc R U . . .
C36 C 1.2639(10) 0.5133(4) 0.3033(8) 0.131(5) Uani 1 1 d . . . . .
H36A H 1.271130 0.477763 0.287001 0.197 Uiso 1 1 calc R U . . .
H36B H 1.341843 0.523599 0.340019 0.197 Uiso 1 1 calc R U . . .
H36C H 1.248998 0.535544 0.256656 0.197 Uiso 1 1 calc R U . . .
C37 C 1.1731(14) 0.4900(4) 0.4224(5) 0.164(7) Uani 1 1 d . . . . .
H37A H 1.164320 0.453144 0.412800 0.246 Uiso 1 1 calc R U . . .
H37B H 1.109590 0.501566 0.450318 0.246 Uiso 1 1 calc R U . . .
H37C H 1.256919 0.497361 0.454742 0.246 Uiso 1 1 calc R U . . .
C38 C 0.8887(15) 0.8314(8) 0.2591(10) 0.077(3) Uani 0.6 1 d D U P A 1
C39 C 0.9496(16) 0.8567(6) 0.1963(10) 0.092(4) Uani 0.6 1 d D U P A 1
H39A H 0.961892 0.893257 0.207905 0.138 Uiso 0.6 1 calc R U P A 1
H39B H 0.894686 0.852249 0.143764 0.138 Uiso 0.6 1 calc R U P A 1
H39C H 1.030905 0.840566 0.197604 0.138 Uiso 0.6 1 calc R U P A 1
C40 C 0.9568(14) 0.8463(5) 0.3442(9) 0.085(4) Uani 0.6 1 d D U P A 1
H40A H 0.947184 0.883120 0.351849 0.127 Uiso 0.6 1 calc R U P A 1
H40B H 1.046147 0.837979 0.352402 0.127 Uiso 0.6 1 calc R U P A 1
H40C H 0.920325 0.827336 0.382207 0.127 Uiso 0.6 1 calc R U P A 1
C41 C 0.7501(13) 0.8494(5) 0.2488(10) 0.073(3) Uani 0.6 1 d D U P A 1
H41A H 0.748699 0.885436 0.264236 0.110 Uiso 0.6 1 calc R U P A 1
H41B H 0.708651 0.828619 0.282440 0.110 Uiso 0.6 1 calc R U P A 1
H41C H 0.705826 0.845503 0.193422 0.110 Uiso 0.6 1 calc R U P A 1
C38A C 0.867(2) 0.8267(12) 0.2489(14) 0.082(4) Uani 0.4 1 d D U P A 2
C39A C 0.993(2) 0.8540(10) 0.2511(16) 0.094(5) Uani 0.4 1 d D U P A 2
H39D H 0.977458 0.890511 0.240693 0.142 Uiso 0.4 1 calc R U P A 2
H39E H 1.032009 0.839284 0.210703 0.142 Uiso 0.4 1 calc R U P A 2
H39F H 1.048472 0.849439 0.303409 0.142 Uiso 0.4 1 calc R U P A 2
C40A C 0.841(3) 0.8333(8) 0.3326(13) 0.100(4) Uani 0.4 1 d D U P A 2
H40D H 0.844126 0.869624 0.346656 0.151 Uiso 0.4 1 calc R U P A 2
H40E H 0.903773 0.814500 0.371342 0.151 Uiso 0.4 1 calc R U P A 2
H40F H 0.757078 0.819773 0.332662 0.151 Uiso 0.4 1 calc R U P A 2
C41A C 0.755(2) 0.8521(9) 0.1903(14) 0.093(5) Uani 0.4 1 d D U P A 2
H41D H 0.751765 0.888527 0.202713 0.139 Uiso 0.4 1 calc R U P A 2
H41E H 0.676865 0.835522 0.195041 0.139 Uiso 0.4 1 calc R U P A 2
H41F H 0.766178 0.848116 0.136072 0.139 Uiso 0.4 1 calc R U P A 2
C42 C 0.7302(8) 0.5441(3) -0.0085(5) 0.064(2) Uani 0.6 1 d . U P B 1
H42 H 0.729618 0.519636 0.035750 0.077 Uiso 0.6 1 calc R U P B 1
C43 C 0.616(2) 0.5355(9) -0.0776(12) 0.127(8) Uani 0.6 1 d . U P B 1
H43A H 0.605205 0.498764 -0.088586 0.190 Uiso 0.6 1 calc R U P B 1
H43B H 0.628960 0.553186 -0.124806 0.190 Uiso 0.6 1 calc R U P B 1
H43C H 0.540199 0.548956 -0.063313 0.190 Uiso 0.6 1 calc R U P B 1
C44 C 0.8521(17) 0.5378(9) -0.0405(9) 0.077(5) Uani 0.6 1 d . U P B 1
H44A H 0.848325 0.505522 -0.069677 0.116 Uiso 0.6 1 calc R U P B 1
H44B H 0.925491 0.537593 0.003895 0.116 Uiso 0.6 1 calc R U P B 1
H44C H 0.858913 0.566359 -0.075924 0.116 Uiso 0.6 1 calc R U P B 1
C42A C 0.7302(8) 0.5441(3) -0.0085(5) 0.064(2) Uani 0.4 1 d . U P B 2
H42A H 0.784994 0.524109 0.035096 0.077 Uiso 0.4 1 calc R U P B 2
C43A C 0.598(3) 0.5211(14) -0.022(2) 0.130(12) Uani 0.4 1 d . U P B 2
H43D H 0.598959 0.486235 -0.042839 0.194 Uiso 0.4 1 calc R U P B 2
H43E H 0.539729 0.542102 -0.060986 0.194 Uiso 0.4 1 calc R U P B 2
H43F H 0.570401 0.520446 0.027530 0.194 Uiso 0.4 1 calc R U P B 2
C44A C 0.779(3) 0.5372(14) -0.0787(19) 0.108(10) Uani 0.4 1 d . U P B 2
H44D H 0.757832 0.502899 -0.100234 0.162 Uiso 0.4 1 calc R U P B 2
H44E H 0.870522 0.541269 -0.065033 0.162 Uiso 0.4 1 calc R U P B 2
H44F H 0.742192 0.562852 -0.118329 0.162 Uiso 0.4 1 calc R U P B 2


_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 C9 1.937(6) . ?
Pt1 C1 2.033(6) . ?
Pt1 C12 2.039(6) . ?
Pt1 Cl1 2.3990(15) . ?
N1 C1 1.352(7) . ?
N1 C2 1.384(8) . ?
N1 C13 1.476(8) . ?
N2 C1 1.381(7) . ?
N2 C3 1.384(8) . ?
N2 C4 1.432(7) . ?
N3 C12 1.372(7) . ?
N3 C10 1.387(7) . ?
N3 C8 1.405(7) . ?
N4 C12 1.346(7) . ?
N4 C11 1.398(8) . ?
N4 C20 1.482(8) . ?
C2 C3 1.343(9) . ?
C2 H2 0.9400 . ?
C3 H3 0.9400 . ?
C4 C5 1.376(8) . ?
C4 C9 1.378(8) . ?
C5 C6 1.407(8) . ?
C5 H5 0.9400 . ?
C6 C7 1.387(8) . ?
C6 C16 1.539(8) . ?
C7 C8 1.386(8) . ?
C7 H7 0.9400 . ?
C8 C9 1.371(7) . ?
C10 C11 1.320(9) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C13 C15 1.520(10) . ?
C13 C14 1.524(12) . ?
C13 H13 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 C17 1.466(12) . ?
C16 C19 1.527(9) . ?
C16 C18 1.545(11) . ?
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 C21 1.496(12) . ?
C20 C22 1.506(12) . ?
C20 H20 0.9900 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
Pt2 C31 1.940(6) . ?
Pt2 C23 2.023(7) . ?
Pt2 C34 2.040(7) . ?
Pt2 Cl2 2.3941(17) . ?
N5 C23 1.340(8) . ?
N5 C24 1.393(9) . ?
N5 C35 1.478(9) . ?
N6 C25 1.366(8) . ?
N6 C23 1.395(8) . ?
N6 C26 1.415(8) . ?
N7 C32 1.363(9) . ?
N7 C34 1.397(8) . ?
N7 C30 1.415(8) . ?
N8 C34 1.332(8) . ?
N8 C33 1.386(9) . ?
N8 C42A 1.476(9) . ?
N8 C42 1.476(9) . ?
C24 C25 1.332(10) . ?
C24 H24 0.9400 . ?
C25 H25 0.9400 . ?
C26 C31 1.378(9) . ?
C26 C27 1.379(9) . ?
C27 C28 1.390(10) . ?
C27 H27 0.9400 . ?
C28 C29 1.397(11) . ?
C28 C38A 1.48(3) . ?
C28 C38 1.60(2) . ?
C29 C30 1.388(9) . ?
C29 H29 0.9400 . ?
C30 C31 1.363(9) . ?
C32 C33 1.315(11) . ?
C32 H32 0.9400 . ?
C33 H33 0.9400 . ?
C35 C36 1.501(12) . ?
C35 C37 1.505(11) . ?
C35 H35 0.9900 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 H36C 0.9700 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 H37C 0.9700 . ?
C38 C39 1.531(15) . ?
C38 C40 1.532(15) . ?
C38 C41 1.543(15) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 H39C 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 H40C 0.9700 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 H41C 0.9700 . ?
C38A C39A 1.521(18) . ?
C38A C40A 1.539(18) . ?
C38A C41A 1.540(18) . ?
C39A H39D 0.9700 . ?
C39A H39E 0.9700 . ?
C39A H39F 0.9700 . ?
C40A H40D 0.9700 . ?
C40A H40E 0.9700 . ?
C40A H40F 0.9700 . ?
C41A H41D 0.9700 . ?
C41A H41E 0.9700 . ?
C41A H41F 0.9700 . ?
C42 C43 1.53(2) . ?
C42 C44 1.550(19) . ?
C42 H42 0.9900 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 H43C 0.9700 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 H44C 0.9700 . ?
C42A C44A 1.43(3) . ?
C42A C43A 1.52(3) . ?
C42A H42A 0.9900 . ?
C43A H43D 0.9700 . ?
C43A H43E 0.9700 . ?
C43A H43F 0.9700 . ?
C44A H44D 0.9700 . ?
C44A H44E 0.9700 . ?
C44A H44F 0.9700 . ?

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
C9 Pt1 C1 78.7(2) . . ?
C9 Pt1 C12 78.1(2) . . ?
C1 Pt1 C12 156.8(2) . . ?
C9 Pt1 Cl1 178.41(19) . . ?
C1 Pt1 Cl1 102.32(18) . . ?
C12 Pt1 Cl1 100.82(17) . . ?
C1 N1 C2 111.1(5) . . ?
C1 N1 C13 123.8(5) . . ?
C2 N1 C13 125.0(5) . . ?
C1 N2 C3 112.1(5) . . ?
C1 N2 C4 116.3(5) . . ?
C3 N2 C4 131.6(5) . . ?
C12 N3 C10 110.5(5) . . ?
C12 N3 C8 116.8(5) . . ?
C10 N3 C8 132.5(5) . . ?
C12 N4 C11 110.0(5) . . ?
C12 N4 C20 125.2(5) . . ?
C11 N4 C20 124.7(6) . . ?
N1 C1 N2 103.2(5) . . ?
N1 C1 Pt1 142.9(5) . . ?
N2 C1 Pt1 113.9(4) . . ?
C3 C2 N1 108.4(6) . . ?
C3 C2 H2 125.8 . . ?
N1 C2 H2 125.8 . . ?
C2 C3 N2 105.2(6) . . ?
C2 C3 H3 127.4 . . ?
N2 C3 H3 127.4 . . ?
C5 C4 C9 122.8(5) . . ?
C5 C4 N2 127.1(6) . . ?
C9 C4 N2 110.1(5) . . ?
C4 C5 C6 118.2(6) . . ?
C4 C5 H5 120.9 . . ?
C6 C5 H5 120.9 . . ?
C7 C6 C5 119.8(5) . . ?
C7 C6 C16 122.4(5) . . ?
C5 C6 C16 117.8(6) . . ?
C8 C7 C6 119.5(5) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C9 C8 C7 121.5(6) . . ?
C9 C8 N3 110.5(5) . . ?
C7 C8 N3 127.8(5) . . ?
C8 C9 C4 118.2(5) . . ?
C8 C9 Pt1 120.8(5) . . ?
C4 C9 Pt1 120.8(4) . . ?
C11 C10 N3 106.8(6) . . ?
C11 C10 H10 126.6 . . ?
N3 C10 H10 126.6 . . ?
C10 C11 N4 107.9(6) . . ?
C10 C11 H11 126.0 . . ?
N4 C11 H11 126.0 . . ?
N4 C12 N3 104.7(5) . . ?
N4 C12 Pt1 141.7(4) . . ?
N3 C12 Pt1 113.5(4) . . ?
N1 C13 C15 110.7(6) . . ?
N1 C13 C14 108.9(7) . . ?
C15 C13 C14 112.5(7) . . ?
N1 C13 H13 108.2 . . ?
C15 C13 H13 108.2 . . ?
C14 C13 H13 108.2 . . ?
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 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C19 109.4(7) . . ?
C17 C16 C6 109.6(7) . . ?
C19 C16 C6 111.6(6) . . ?
C17 C16 C18 109.1(8) . . ?
C19 C16 C18 106.3(7) . . ?
C6 C16 C18 110.8(6) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N4 C20 C21 110.9(7) . . ?
N4 C20 C22 109.4(7) . . ?
C21 C20 C22 113.7(8) . . ?
N4 C20 H20 107.5 . . ?
C21 C20 H20 107.5 . . ?
C22 C20 H20 107.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C31 Pt2 C23 78.8(3) . . ?
C31 Pt2 C34 79.0(3) . . ?
C23 Pt2 C34 157.7(3) . . ?
C31 Pt2 Cl2 178.23(19) . . ?
C23 Pt2 Cl2 101.22(18) . . ?
C34 Pt2 Cl2 100.9(2) . . ?
C23 N5 C24 110.6(6) . . ?
C23 N5 C35 122.9(6) . . ?
C24 N5 C35 126.1(6) . . ?
C25 N6 C23 111.1(6) . . ?
C25 N6 C26 132.3(6) . . ?
C23 N6 C26 116.5(6) . . ?
C32 N7 C34 110.0(6) . . ?
C32 N7 C30 133.0(7) . . ?
C34 N7 C30 117.0(6) . . ?
C34 N8 C33 109.8(7) . . ?
C34 N8 C42A 124.1(6) . . ?
C33 N8 C42A 126.1(7) . . ?
C34 N8 C42 124.1(6) . . ?
C33 N8 C42 126.1(7) . . ?
N5 C23 N6 103.7(6) . . ?
N5 C23 Pt2 142.6(5) . . ?
N6 C23 Pt2 113.6(5) . . ?
C25 C24 N5 108.0(7) . . ?
C25 C24 H24 126.0 . . ?
N5 C24 H24 126.0 . . ?
C24 C25 N6 106.5(7) . . ?
C24 C25 H25 126.7 . . ?
N6 C25 H25 126.7 . . ?
C31 C26 C27 121.9(7) . . ?
C31 C26 N6 110.4(6) . . ?
C27 C26 N6 127.6(7) . . ?
C26 C27 C28 119.3(7) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 H27 120.3 . . ?
C27 C28 C29 119.3(7) . . ?
C27 C28 C38A 126.5(12) . . ?
C29 C28 C38A 114.2(11) . . ?
C27 C28 C38 117.8(9) . . ?
C29 C28 C38 122.7(9) . . ?
C30 C29 C28 119.3(7) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C31 C30 C29 121.7(7) . . ?
C31 C30 N7 110.7(6) . . ?
C29 C30 N7 127.5(7) . . ?
C30 C31 C26 118.5(6) . . ?
C30 C31 Pt2 120.8(5) . . ?
C26 C31 Pt2 120.6(5) . . ?
C33 C32 N7 106.9(7) . . ?
C33 C32 H32 126.6 . . ?
N7 C32 H32 126.6 . . ?
C32 C33 N8 108.8(8) . . ?
C32 C33 H33 125.6 . . ?
N8 C33 H33 125.6 . . ?
N8 C34 N7 104.5(6) . . ?
N8 C34 Pt2 143.1(6) . . ?
N7 C34 Pt2 112.4(5) . . ?
N5 C35 C36 110.0(7) . . ?
N5 C35 C37 110.5(7) . . ?
C36 C35 C37 115.0(10) . . ?
N5 C35 H35 107.0 . . ?
C36 C35 H35 107.0 . . ?
C37 C35 H35 107.0 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C40 111.9(14) . . ?
C39 C38 C41 110.7(14) . . ?
C40 C38 C41 106.3(13) . . ?
C39 C38 C28 106.1(12) . . ?
C40 C38 C28 114.1(13) . . ?
C41 C38 C28 107.8(11) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C28 C38A C39A 108.3(19) . . ?
C28 C38A C40A 104.3(18) . . ?
C39A C38A C40A 106.3(19) . . ?
C28 C38A C41A 118.1(19) . . ?
C39A C38A C41A 113(2) . . ?
C40A C38A C41A 106.1(19) . . ?
C38A C39A H39D 109.5 . . ?
C38A C39A H39E 109.5 . . ?
H39D C39A H39E 109.5 . . ?
C38A C39A H39F 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?
C38A C40A H40D 109.5 . . ?
C38A C40A H40E 109.5 . . ?
H40D C40A H40E 109.5 . . ?
C38A C40A H40F 109.5 . . ?
H40D C40A H40F 109.5 . . ?
H40E C40A H40F 109.5 . . ?
C38A C41A H41D 109.5 . . ?
C38A C41A H41E 109.5 . . ?
H41D C41A H41E 109.5 . . ?
C38A C41A H41F 109.5 . . ?
H41D C41A H41F 109.5 . . ?
H41E C41A H41F 109.5 . . ?
N8 C42 C43 109.0(11) . . ?
N8 C42 C44 106.3(10) . . ?
C43 C42 C44 108.4(12) . . ?
N8 C42 H42 111.0 . . ?
C43 C42 H42 111.0 . . ?
C44 C42 H42 111.0 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C44A C42A N8 114.6(16) . . ?
C44A C42A C43A 109(2) . . ?
N8 C42A C43A 110.3(16) . . ?
C44A C42A H42A 107.4 . . ?
N8 C42A H42A 107.4 . . ?
C43A C42A H42A 107.4 . . ?
C42A C43A H43D 109.5 . . ?
C42A C43A H43E 109.5 . . ?
H43D C43A H43E 109.5 . . ?
C42A C43A H43F 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C42A C44A H44D 109.5 . . ?
C42A C44A H44E 109.5 . . ?
H44D C44A H44E 109.5 . . ?
C42A C44A H44F 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?

_refine_diff_density_max         0.823
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.141

