# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_svb-548
_database_code_depnum_ccdc_archive 'CCDC 2232260'
loop_
_audit_author_name
_audit_author_address
'Sergey Baykov'
;Saint Petersburg State University
Russia
;
_audit_update_record             
;
2022-12-22 deposited with the CCDC.	2023-04-26 downloaded from the CCDC.
;
_audit_creation_date             2022-12-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H32 Cl N5 O2 Pt, 2(C3 F3)'
_chemical_formula_sum            'C40 H32 Cl F6 N5 O2 Pt'
_chemical_formula_weight         959.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C35 H33 Cl4 O2 N Pt '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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                   8.54280(10)
_cell_length_b                   14.88440(10)
_cell_length_c                   15.92190(10)
_cell_angle_alpha                107.1440(10)
_cell_angle_beta                 103.5320(10)
_cell_angle_gamma                92.7200(10)
_cell_volume                     1866.05(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    18763
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      68.0590
_cell_measurement_theta_min      2.9720
_shelx_estimated_absorpt_T_max   0.435
_shelx_estimated_absorpt_T_min   0.368
_exptl_absorpt_coefficient_mu    8.330
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.104a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25125
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.237
_diffrn_reflns_theta_min         3.008
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -88.00 -62.00   0.50    0.20    --  -39.58 -69.00  56.00   52
  2  ω    -56.00 -31.00   0.50    0.20    --  -39.58  69.00-171.00   50
  3  ω    -11.00  20.00   0.50    0.20    --  -39.58  69.00-171.00   62
  4  ω     76.00 157.00   0.50    0.30    --   94.79  69.00-171.00  162
  5  ω     92.00 117.00   0.50    0.30    --   94.79 -69.00  56.00   50
  6  ω     39.00  65.00   0.50    0.30    --   94.79 -69.00  56.00   52
  7  ω    -58.00  24.00   0.50    0.20    --  -39.58  54.00   0.00  164
  8  ω    -15.00  25.00   0.50    0.20    --  -39.58  65.00  90.00   80
  9  ω    -58.00 -32.00   0.50    0.20    --  -39.58 -32.00  30.00   52
 10  ω    -57.00 -15.00   0.50    0.20    --  -39.58 138.00-150.00   84
 11  ω    -55.00 -29.00   0.50    0.20    --  -39.58 -69.00  56.00   52
 12  ω    -60.00 -20.00   0.50    0.20    --  -39.58  65.00  90.00   80
 13  ω    -93.00 -65.00   0.50    0.20    --  -39.58 138.00-150.00   56
 14  ω    -66.00 -14.00   0.50    0.20    --  -39.58 138.00 -30.00  104
 15  ω    -94.00 -69.00   0.50    0.20    --  -39.58 138.00 -30.00   50
 16  ω     24.00  60.00   0.50    0.20    --   39.58-138.00-150.00   72
 17  ω     69.00  98.00   0.50    0.20    --   39.58  43.00   0.00   58
 18  ω     31.00  57.00   0.50    0.20    --   39.58  54.00-120.00   52
 19  ω     65.00  93.00   0.50    0.20    --   39.58-138.00-150.00   56
 20  ω     31.00  60.00   0.50    0.20    --   39.58  43.00   0.00   58
 21  ω     30.00  62.00   0.50    0.20    --   39.58  32.00-180.00   64
 22  ω     63.00 102.00   0.50    0.20    --   39.58  69.00-171.00   78
 23  ω     69.00 100.00   0.50    0.20    --   39.58  54.00 120.00   62
 24  ω     26.00  51.00   0.50    0.20    --   39.58 -32.00 120.00   50
 25  ω     67.00 101.00   0.50    0.20    --   39.58  32.00-180.00   68
 26  ω     22.00  57.00   0.50    0.20    --   39.58  54.00 120.00   70
 27  ω     19.00  97.00   0.50    0.20    --   39.58  65.00 -90.00  156
 28  ω     21.00  46.00   0.50    0.20    --   39.58  69.00-171.00   50
 29  ω     34.00  59.00   0.50    0.20    --   39.58 -69.00  56.00   50
 30  ω     60.00 100.00   0.50    0.20    --   39.58  54.00-120.00   80
 31  ω     35.00  61.00   0.50    0.20    --   39.58  43.00 150.00   52
 32  ω     45.00 106.00   0.50    0.30    --   94.79 -42.00   0.00  122
 33  ω     46.00 115.00   0.50    0.30    --   94.79 -59.00-120.00  138
 34  ω     95.00 138.00   0.50    0.30    --   94.79  96.00 -90.00   86
 35  ω    112.00 149.00   0.50    0.30    --   94.79  68.00   0.00   74
 36  ω     38.00 105.00   0.50    0.30    --   94.79 -33.00-120.00  134
 37  ω     74.00  99.00   0.50    0.30    --   94.79-117.00 -60.00   50
 38  ω     63.00 111.00   0.50    0.30    --   94.79 -68.00  30.00   96
 39  ω    107.00 155.00   0.50    0.30    --   94.79  77.00 -60.00   96
 40  ω     49.00 116.00   0.50    0.30    --   94.79-145.00 -90.00  134
 41  ω     31.00 107.00   0.50    0.30    --   94.79-117.00 -90.00  152
 42  ω     88.00 150.00   0.50    0.30    --   94.79  77.00 120.00  124
 43  ω     74.00 109.00   0.50    0.30    --   94.79-117.00 150.00   70
 44  ω    119.00 151.00   0.50    0.30    --   94.79  77.00  30.00   64
 45  ω     36.00  61.00   0.50    0.30    --   94.79-117.00 150.00   50
 46  ω     29.00 107.00   0.50    0.30    --   94.79-117.00  60.00  156
 47  ω     97.00 132.00   0.50    0.30    --   94.79  33.00 120.00   70
 48  ω    101.00 126.00   0.50    0.30    --   94.79-145.00  60.00   50
 49  ω     57.00  89.00   0.50    0.30    --   94.79-145.00  60.00   64
 50  ω     83.00 144.00   0.50    0.30    --   94.79  77.00-150.00  122
 51  ω     80.00 141.00   0.50    0.30    --   94.79  59.00-180.00  122
 52  ω     24.00  96.00   0.50    0.30    --   94.79 -96.00  60.00  144
 53  ω     90.00 154.00   0.50    0.30    --   94.79  77.00  60.00  128
 54  ω    117.00 156.00   0.50    0.30    --   94.79  25.00 -90.00   78
 55  ω     42.00 108.00   0.50    0.30    --   94.79-145.00-120.00  132
 56  ω     27.00 119.00   0.50    0.30    --   94.79 -87.00 -90.00  184
 57  ω     76.00 157.00   0.50    0.30    --   94.79  59.00 150.00  162
 58  ω    -23.00   2.00   0.50    0.20    --  -39.58  69.00-171.00   50
 59  ω    -42.00 -17.00   0.50    0.20    --    4.00 119.00 173.24   50
 60  ω    -42.00 -17.00   0.50    0.20    --   20.00 145.00 163.31   50
 61  ω    -13.00  12.00   0.50    0.20    --   24.00 104.00 -55.60   50
 62  ω     -8.00  17.00   0.50    0.20    --   24.00  95.00  46.43   50
 63  ω     -8.00  17.00   0.50    0.20    --   24.00  96.00 -93.64   50
 64  ω      3.00  28.00   0.50    0.20    --   32.00  87.00 120.21   50
 65  ω      3.00  28.00   0.50    0.20    --   32.00  88.00 173.61   50
 66  ω      2.00  27.00   0.50    0.20    --   32.00  90.00 -50.05   50
 67  ω      2.00  27.00   0.50    0.20    --   32.00  89.00  19.96   50
 68  ω      2.00  27.00   0.50    0.20    --   32.00  90.00-159.85   50
 69  ω    -58.00 -33.00   0.50    0.20    --  -39.58  54.00 -60.00   50
 70  ω     13.00  38.00   0.50    0.20    --   39.58  81.00 -37.46   50
 71  ω     13.00  38.00   0.50    0.20    --   39.58  82.00  97.51   50
 72  ω     14.00  39.00   0.50    0.20    --   40.00  78.00-124.56   50
 73  ω     14.00  39.00   0.50    0.20    --   40.00  80.00-179.06   50
 74  ω     14.00  39.00   0.50    0.20    --   40.00  80.00 -46.16   50
 75  ω     14.00  42.00   0.50    0.20    --   40.00  81.00 -98.99   56
 76  ω     13.00  38.00   0.50    0.20    --   40.00  81.00  15.34   50
 77  ω     13.00  38.00   0.50    0.20    --   40.00  82.00  56.94   50
 78  ω     14.00  39.00   0.50    0.20    --   40.00  80.00 149.31   50
 79  ω     22.00  48.00   0.50    0.20    --   44.00  71.00 127.60   52
 80  ω     26.00  52.00   0.50    0.20    --   48.00  68.00  17.87   52
 81  ω     25.00  51.00   0.50    0.20    --   48.00  69.00  66.97   52
 82  ω     33.00  59.00   0.50    0.20    --   52.00  69.00 175.56   52
 83  ω     92.00 117.00   0.50    0.20    --   52.00  69.00 175.56   50
 84  ω     29.00  55.00   0.50    0.20    --   52.00  69.00 -86.06   52
 85  ω     91.00 117.00   0.50    0.20    --   52.00  69.00 -86.06   52
 86  ω     38.00  64.00   0.50    0.20    --   56.00  63.00 -12.60   52
 87  ω     37.00  62.00   0.50    0.20    --   60.00  71.00-160.11   50
 88  ω     86.00 124.00   0.50    0.20    --   60.00  70.00  30.95   76
 89  ω     37.00  75.00   0.50    0.20    --   60.00  70.00  30.95   76
 90  ω     37.00  63.00   0.50    0.20    --   60.00  70.00 -42.31   52
 91  ω     42.00  68.00   0.50    0.20    --   60.00  57.00 -93.89   52
 92  ω     37.00  62.00   0.50    0.20    --   60.00  69.00 146.14   50
 93  ω     50.00  97.00   0.50    0.20    --   64.00  71.00  84.12   94
 94  ω    104.00 129.00   0.50    0.20    --   64.00  66.00 -65.10   50
 95  ω     42.00  68.00   0.50    0.20    --   64.00  66.00 -65.10   52
 96  ω     41.00  66.00   0.50    0.20    --   64.00  70.00  65.40   50
 97  ω     46.00  83.00   0.50    0.30    --   68.00  64.00   4.27   74
 98  ω     50.00  76.00   0.50    0.30    --   72.00  65.00 -94.09   52
 99  ω     49.00  98.00   0.50    0.30    --   72.00  68.00-142.20   98
100  ω     50.00  76.00   0.50    0.30    --   72.00  67.00 -13.96   52
101  ω     59.00 131.00   0.50    0.30    --   72.00  54.00 -45.25  144
102  ω     49.00  75.00   0.50    0.30    --   72.00  68.00  74.96   52
103  ω     50.00  75.00   0.50    0.30    --   72.00  64.00 170.58   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1497044000
_diffrn_orient_matrix_UB_12      0.0393249000
_diffrn_orient_matrix_UB_13      -0.0445882000
_diffrn_orient_matrix_UB_21      0.0636226000
_diffrn_orient_matrix_UB_22      0.0991768000
_diffrn_orient_matrix_UB_23      0.0692066000
_diffrn_orient_matrix_UB_31      0.0921617000
_diffrn_orient_matrix_UB_32      0.0231687000
_diffrn_orient_matrix_UB_33      -0.0649412000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6407
_reflns_number_total             6764
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.098
_refine_diff_density_min         -1.726
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         6764
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0263
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0348P)²+0.6366P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0652
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B)
1.b Aromatic/amide H refined with riding coordinates:
 C29(H29), C1(H1), C24(H24), C2(H2), C26(H26), C3(H3), C4(H4), C30(H30),
 C9(H9), C11(H11), C10(H10), C18(H18), C19(H19), C20(H20)
1.c Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C14(H14A,H14B,H14C), C13(H13A,H13B,H13C), C23(H23A,H23B,
 H23C), C22(H22A,H22B,H22C)
1.d :
 C34(H34)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 -0.16529(2) 0.63049(2) 0.88656(2) 0.02120(6) Uani 1 1 d . . . . .
Cl1 Cl -0.34033(10) 0.70363(6) 0.97597(6) 0.03066(18) Uani 1 1 d . . . . .
F1S F 0.0668(3) 0.36435(16) 0.58153(15) 0.0496(6) Uani 1 1 d . . . . .
F5S F 1.4877(3) 0.16149(16) 0.45348(16) 0.0492(6) Uani 1 1 d . . . . .
F6S F 1.7066(3) 0.04408(17) 0.40766(15) 0.0464(6) Uani 1 1 d . . . . .
O2 O 0.6930(3) 0.19800(17) 0.68775(16) 0.0307(5) Uani 1 1 d . . . . .
F4S F 1.2758(3) 0.11673(17) 0.54287(16) 0.0478(6) Uani 1 1 d . . . . .
O1 O 0.4730(3) 0.13912(16) 0.75017(17) 0.0336(6) Uani 1 1 d . . . . .
F3S F 0.2429(3) 0.62820(17) 0.50583(16) 0.0512(6) Uani 1 1 d . . . . .
N1 N -0.1927(3) 0.50434(18) 0.91153(17) 0.0211(5) Uani 1 1 d . . . . .
F2S F 0.3097(3) 0.49243(19) 0.58583(16) 0.0559(6) Uani 1 1 d . . . . .
N2 N 0.0120(3) 0.47666(18) 0.83923(17) 0.0228(6) Uani 1 1 d . . . . .
N5 N 0.1167(3) 0.41165(18) 0.80886(17) 0.0238(6) Uani 1 1 d . . . . .
N4 N -0.0972(3) 0.82529(19) 0.86505(19) 0.0282(6) Uani 1 1 d . . . . .
N3 N 0.0310(3) 0.56998(18) 0.74853(17) 0.0238(6) Uani 1 1 d . . . . .
C15 C -0.1212(4) 0.7501(2) 0.8680(2) 0.0267(7) Uani 1 1 d . . . . .
C29 C 0.5964(4) 0.3522(2) 0.7054(2) 0.0274(7) Uani 1 1 d . . . . .
H29 H 0.678283 0.374429 0.682385 0.033 Uiso 1 1 calc R U . . .
C1 C -0.2992(4) 0.4785(2) 0.9532(2) 0.0257(7) Uani 1 1 d . . . . .
H1 H -0.372994 0.520925 0.972403 0.031 Uiso 1 1 calc R U . . .
C24 C 0.2452(4) 0.4429(2) 0.7927(2) 0.0259(7) Uani 1 1 d . . . . .
H24 H 0.265130 0.508110 0.798729 0.031 Uiso 1 1 calc R U . . .
C2 C -0.3040(4) 0.3927(2) 0.9687(2) 0.0287(7) Uani 1 1 d . . . . .
H2 H -0.381554 0.374954 0.996865 0.034 Uiso 1 1 calc R U . . .
C28 C 0.5883(4) 0.2621(2) 0.7108(2) 0.0257(7) Uani 1 1 d . . . . .
C5 C -0.0879(4) 0.4451(2) 0.8843(2) 0.0229(7) Uani 1 1 d . . . . .
C27 C 0.4659(4) 0.2293(2) 0.7450(2) 0.0271(7) Uani 1 1 d . . . . .
C6 C -0.0245(4) 0.5588(2) 0.8124(2) 0.0234(7) Uani 1 1 d . . . . .
C26 C 0.3527(4) 0.2865(2) 0.7700(2) 0.0256(7) Uani 1 1 d . . . . .
H26 H 0.268275 0.263234 0.790649 0.031 Uiso 1 1 calc R U . . .
C25 C 0.3605(4) 0.3791(2) 0.7652(2) 0.0261(7) Uani 1 1 d . . . . .
C7 C 0.0020(4) 0.6460(2) 0.7125(2) 0.0260(7) Uani 1 1 d . . . . .
C3 C -0.1932(4) 0.3322(2) 0.9423(2) 0.0288(7) Uani 1 1 d . . . . .
H3 H -0.194109 0.272652 0.952887 0.035 Uiso 1 1 calc R U . . .
C4 C -0.0823(4) 0.3582(2) 0.9011(2) 0.0261(7) Uani 1 1 d . . . . .
H4 H -0.003926 0.318156 0.884355 0.031 Uiso 1 1 calc R U . . .
C8 C 0.1383(4) 0.7092(2) 0.7232(2) 0.0324(8) Uani 1 1 d . . . . .
C30 C 0.4842(4) 0.4114(2) 0.7339(2) 0.0282(7) Uani 1 1 d . . . . .
H30 H 0.492356 0.474525 0.731778 0.034 Uiso 1 1 calc R U . . .
C32 C 0.8189(4) 0.2274(3) 0.6511(2) 0.0319(8) Uani 1 1 d . . . . .
H32A H 0.891784 0.282703 0.696667 0.038 Uiso 1 1 calc R U . . .
H32B H 0.770951 0.244835 0.596047 0.038 Uiso 1 1 calc R U . . .
C33 C 0.9081(4) 0.1464(3) 0.6285(2) 0.0347(8) Uani 1 1 d . . . . .
C5S C 1.4922(4) 0.0811(3) 0.4756(2) 0.0373(9) Uani 1 1 d . . . . .
C12 C -0.1514(4) 0.6527(2) 0.6600(2) 0.0287(7) Uani 1 1 d . . . . .
C31 C 0.3670(5) 0.1098(3) 0.7976(3) 0.0366(9) Uani 1 1 d . . . . .
H31A H 0.253906 0.108711 0.765080 0.055 Uiso 1 1 calc R U . . .
H31B H 0.389015 0.154428 0.859362 0.055 Uiso 1 1 calc R U . . .
H31C H 0.385515 0.046266 0.800694 0.055 Uiso 1 1 calc R U . . .
C14 C -0.2990(4) 0.5852(3) 0.6457(2) 0.0328(8) Uani 1 1 d . . . . .
H14A H -0.267956 0.521504 0.639828 0.049 Uiso 1 1 calc R U . . .
H14B H -0.379387 0.583897 0.590067 0.049 Uiso 1 1 calc R U . . .
H14C H -0.345772 0.606098 0.697816 0.049 Uiso 1 1 calc R U . . .
C16 C -0.0679(5) 0.9178(2) 0.8628(2) 0.0335(8) Uani 1 1 d . . . . .
C1S C 0.0340(5) 0.4312(3) 0.5416(2) 0.0366(8) Uani 1 1 d . . . . .
C4S C 1.3865(4) 0.0589(3) 0.5218(2) 0.0367(9) Uani 1 1 d . . . . .
C9 C 0.1178(5) 0.7812(3) 0.6832(3) 0.0383(9) Uani 1 1 d . . . . .
H9 H 0.208242 0.825543 0.691573 0.046 Uiso 1 1 calc R U . . .
C6S C 1.6046(4) 0.0217(3) 0.4529(2) 0.0365(8) Uani 1 1 d . . . . .
C11 C -0.1643(5) 0.7246(3) 0.6195(2) 0.0360(8) Uani 1 1 d . . . . .
H11 H -0.266419 0.729457 0.582626 0.043 Uiso 1 1 calc R U . . .
C34 C 0.9798(5) 0.0802(3) 0.6106(3) 0.0456(10) Uani 1 1 d . . . . .
H34 H 1.037384 0.027093 0.596275 0.055 Uiso 1 1 calc R U . . .
C21 C -0.1967(5) 0.9541(3) 0.8158(3) 0.0419(10) Uani 1 1 d . . . . .
C3S C 0.1227(5) 0.5654(3) 0.5034(2) 0.0360(8) Uani 1 1 d . . . . .
C10 C -0.0320(5) 0.7886(3) 0.6319(3) 0.0408(9) Uani 1 1 d . . . . .
H10 H -0.044316 0.837748 0.604911 0.049 Uiso 1 1 calc R U . . .
C2S C 0.1560(5) 0.4967(3) 0.5447(2) 0.0375(9) Uani 1 1 d . . . . .
C13 C 0.3036(4) 0.6983(3) 0.7764(3) 0.0414(9) Uani 1 1 d . . . . .
H13A H 0.298422 0.698355 0.837239 0.062 Uiso 1 1 calc R U . . .
H13B H 0.382246 0.751183 0.781816 0.062 Uiso 1 1 calc R U . . .
H13C H 0.337326 0.638430 0.744660 0.062 Uiso 1 1 calc R U . . .
C17 C 0.0863(5) 0.9668(3) 0.9074(3) 0.0425(10) Uani 1 1 d . . . . .
C18 C 0.1093(7) 1.0590(3) 0.9061(3) 0.0648(15) Uani 1 1 d . . . . .
H18 H 0.210936 1.096289 0.938031 0.078 Uiso 1 1 calc R U . . .
C19 C -0.0106(8) 1.0980(3) 0.8599(4) 0.080(2) Uani 1 1 d . . . . .
H19 H 0.009941 1.160964 0.859160 0.095 Uiso 1 1 calc R U . . .
C23 C -0.3597(5) 0.8967(3) 0.7728(3) 0.0569(12) Uani 1 1 d . . . . .
H23A H -0.348411 0.835927 0.730556 0.085 Uiso 1 1 calc R U . . .
H23B H -0.431521 0.931241 0.739442 0.085 Uiso 1 1 calc R U . . .
H23C H -0.405921 0.885461 0.820124 0.085 Uiso 1 1 calc R U . . .
C22 C 0.2169(5) 0.9224(3) 0.9545(3) 0.0546(12) Uani 1 1 d . . . . .
H22A H 0.180307 0.901462 1.000366 0.082 Uiso 1 1 calc R U . . .
H22B H 0.314305 0.968719 0.984154 0.082 Uiso 1 1 calc R U . . .
H22C H 0.242194 0.867701 0.909912 0.082 Uiso 1 1 calc R U . . .
C20 C -0.1614(7) 1.0460(3) 0.8143(4) 0.0669(16) Uani 1 1 d . . . . .
H20 H -0.242311 1.073537 0.781512 0.080 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 Cl1 2.3844(8) . ?
Pt1 N1 2.045(2) . ?
Pt1 C15 1.923(3) . ?
Pt1 C6 2.006(3) . ?
F1S C1S 1.337(4) . ?
F5S C5S 1.343(4) . ?
F6S C6S 1.341(4) . ?
O2 C28 1.368(4) . ?
O2 C32 1.445(4) . ?
F4S C4S 1.342(4) . ?
O1 C27 1.372(4) . ?
O1 C31 1.434(4) . ?
F3S C3S 1.341(4) . ?
N1 C1 1.348(4) . ?
N1 C5 1.340(4) . ?
F2S C2S 1.337(4) . ?
N2 N5 1.406(3) . ?
N2 C5 1.383(4) . ?
N2 C6 1.434(4) . ?
N5 C24 1.281(4) . ?
N4 C15 1.144(4) . ?
N4 C16 1.400(4) . ?
N3 C6 1.267(4) . ?
N3 C7 1.419(4) . ?
C29 H29 0.9500 . ?
C29 C28 1.369(5) . ?
C29 C30 1.396(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.371(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.452(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(5) . ?
C28 C27 1.415(4) . ?
C5 C4 1.396(4) . ?
C27 C26 1.369(4) . ?
C26 H26 0.9500 . ?
C26 C25 1.402(4) . ?
C25 C30 1.392(4) . ?
C7 C8 1.407(5) . ?
C7 C12 1.406(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(5) . ?
C4 H4 0.9500 . ?
C8 C9 1.397(5) . ?
C8 C13 1.510(5) . ?
C30 H30 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.457(5) . ?
C33 C34 1.183(5) . ?
C5S C4S 1.375(5) . ?
C5S C6S 1.375(5) . ?
C12 C14 1.504(5) . ?
C12 C11 1.399(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C16 C21 1.404(5) . ?
C16 C17 1.392(5) . ?
C1S C3S 1.374(5) 2_566 ?
C1S C2S 1.375(5) . ?
C4S C6S 1.373(5) 2_856 ?
C9 H9 0.9500 . ?
C9 C10 1.376(5) . ?
C11 H11 0.9500 . ?
C11 C10 1.381(5) . ?
C34 H34 0.9500 . ?
C21 C23 1.494(6) . ?
C21 C20 1.395(6) . ?
C3S C2S 1.377(5) . ?
C10 H10 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C17 C18 1.384(6) . ?
C17 C22 1.488(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.371(8) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(8) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C20 H20 0.9500 . ?

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
N1 Pt1 Cl1 94.38(8) . . ?
C15 Pt1 Cl1 87.74(10) . . ?
C15 Pt1 N1 175.37(11) . . ?
C15 Pt1 C6 96.97(13) . . ?
C6 Pt1 Cl1 175.26(9) . . ?
C6 Pt1 N1 80.96(11) . . ?
C28 O2 C32 116.7(3) . . ?
C27 O1 C31 115.7(3) . . ?
C1 N1 Pt1 126.7(2) . . ?
C5 N1 Pt1 113.67(19) . . ?
C5 N1 C1 119.6(3) . . ?
N5 N2 C6 127.0(2) . . ?
C5 N2 N5 113.8(2) . . ?
C5 N2 C6 117.7(3) . . ?
C24 N5 N2 118.4(3) . . ?
C15 N4 C16 179.2(3) . . ?
C6 N3 C7 124.0(3) . . ?
N4 C15 Pt1 173.4(3) . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.9(3) . . ?
C30 C29 H29 120.1 . . ?
N1 C1 H1 119.1 . . ?
N1 C1 C2 121.7(3) . . ?
C2 C1 H1 119.1 . . ?
N5 C24 H24 119.8 . . ?
N5 C24 C25 120.3(3) . . ?
C25 C24 H24 119.8 . . ?
C1 C2 H2 120.7 . . ?
C1 C2 C3 118.7(3) . . ?
C3 C2 H2 120.7 . . ?
O2 C28 C29 125.8(3) . . ?
O2 C28 C27 114.4(3) . . ?
C29 C28 C27 119.8(3) . . ?
N1 C5 N2 115.1(3) . . ?
N1 C5 C4 121.5(3) . . ?
N2 C5 C4 123.4(3) . . ?
O1 C27 C28 114.6(3) . . ?
C26 C27 O1 125.2(3) . . ?
C26 C27 C28 120.2(3) . . ?
N2 C6 Pt1 109.0(2) . . ?
N3 C6 Pt1 133.9(2) . . ?
N3 C6 N2 117.1(3) . . ?
C27 C26 H26 119.8 . . ?
C27 C26 C25 120.5(3) . . ?
C25 C26 H26 119.8 . . ?
C26 C25 C24 122.4(3) . . ?
C30 C25 C24 118.8(3) . . ?
C30 C25 C26 118.8(3) . . ?
C8 C7 N3 116.7(3) . . ?
C12 C7 N3 122.1(3) . . ?
C12 C7 C8 120.8(3) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(3) . . ?
C4 C3 H3 119.9 . . ?
C5 C4 H4 120.9 . . ?
C3 C4 C5 118.2(3) . . ?
C3 C4 H4 120.9 . . ?
C7 C8 C13 120.2(3) . . ?
C9 C8 C7 118.8(3) . . ?
C9 C8 C13 121.0(3) . . ?
C29 C30 H30 119.6 . . ?
C25 C30 C29 120.9(3) . . ?
C25 C30 H30 119.6 . . ?
O2 C32 H32A 110.5 . . ?
O2 C32 H32B 110.5 . . ?
O2 C32 C33 106.1(3) . . ?
H32A C32 H32B 108.7 . . ?
C33 C32 H32A 110.5 . . ?
C33 C32 H32B 110.5 . . ?
C34 C33 C32 179.4(4) . . ?
F5S C5S C4S 120.2(3) . . ?
F5S C5S C6S 119.7(3) . . ?
C6S C5S C4S 120.1(4) . . ?
C7 C12 C14 122.2(3) . . ?
C11 C12 C7 117.9(3) . . ?
C11 C12 C14 119.8(3) . . ?
O1 C31 H31A 109.5 . . ?
O1 C31 H31B 109.5 . . ?
O1 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N4 C16 C21 117.4(3) . . ?
C17 C16 N4 117.6(3) . . ?
C17 C16 C21 125.0(4) . . ?
F1S C1S C3S 120.0(3) . 2_566 ?
F1S C1S C2S 120.6(4) . . ?
C3S C1S C2S 119.4(3) 2_566 . ?
F4S C4S C5S 119.8(4) . . ?
F4S C4S C6S 120.2(3) . 2_856 ?
C6S C4S C5S 120.0(3) 2_856 . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.7(3) . . ?
C10 C9 H9 119.6 . . ?
F6S C6S C5S 119.4(3) . . ?
F6S C6S C4S 120.7(3) . 2_856 ?
C4S C6S C5S 119.9(3) 2_856 . ?
C12 C11 H11 119.2 . . ?
C10 C11 C12 121.5(3) . . ?
C10 C11 H11 119.2 . . ?
C33 C34 H34 180.0 . . ?
C16 C21 C23 120.8(4) . . ?
C20 C21 C16 115.4(4) . . ?
C20 C21 C23 123.7(4) . . ?
F3S C3S C1S 119.8(3) . 2_566 ?
F3S C3S C2S 120.3(3) . . ?
C1S C3S C2S 119.9(3) 2_566 . ?
C9 C10 C11 120.1(3) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
F2S C2S C1S 120.1(3) . . ?
F2S C2S C3S 119.2(3) . . ?
C1S C2S C3S 120.7(3) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C17 C22 121.5(3) . . ?
C18 C17 C16 115.9(4) . . ?
C18 C17 C22 122.5(4) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 C17 121.9(5) . . ?
C19 C18 H18 119.1 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.4(4) . . ?
C20 C19 H19 119.8 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C20 H20 119.4 . . ?
C19 C20 C21 121.2(5) . . ?
C19 C20 H20 119.4 . . ?

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 C1 C2 -178.2(2) . . . . ?
Pt1 N1 C5 N2 -4.1(3) . . . . ?
Pt1 N1 C5 C4 176.0(2) . . . . ?
F1S C1S C2S F2S 1.8(5) . . . . ?
F1S C1S C2S C3S 179.8(3) . . . . ?
F5S C5S C4S F4S 1.7(5) . . . . ?
F5S C5S C4S C6S -177.7(3) . . . 2_856 ?
F5S C5S C6S F6S -1.1(5) . . . . ?
F5S C5S C6S C4S 177.7(3) . . . 2_856 ?
O2 C28 C27 O1 0.5(4) . . . . ?
O2 C28 C27 C26 -179.5(3) . . . . ?
O1 C27 C26 C25 177.5(3) . . . . ?
F3S C3S C2S F2S -1.1(5) . . . . ?
F3S C3S C2S C1S -179.1(3) . . . . ?
N1 C1 C2 C3 1.5(5) . . . . ?
N1 C5 C4 C3 3.3(5) . . . . ?
N2 N5 C24 C25 177.2(3) . . . . ?
N2 C5 C4 C3 -176.7(3) . . . . ?
N5 N2 C5 N1 -177.9(2) . . . . ?
N5 N2 C5 C4 2.0(4) . . . . ?
N5 N2 C6 Pt1 -174.9(2) . . . . ?
N5 N2 C6 N3 7.0(4) . . . . ?
N5 C24 C25 C26 -11.1(5) . . . . ?
N5 C24 C25 C30 169.6(3) . . . . ?
N4 C16 C21 C23 2.0(5) . . . . ?
N4 C16 C21 C20 -179.2(3) . . . . ?
N4 C16 C17 C18 -178.1(3) . . . . ?
N4 C16 C17 C22 1.1(5) . . . . ?
N3 C7 C8 C9 175.5(3) . . . . ?
N3 C7 C8 C13 -4.0(5) . . . . ?
N3 C7 C12 C14 5.8(5) . . . . ?
N3 C7 C12 C11 -173.4(3) . . . . ?
C29 C28 C27 O1 -177.9(3) . . . . ?
C29 C28 C27 C26 2.1(5) . . . . ?
C1 N1 C5 N2 177.6(3) . . . . ?
C1 N1 C5 C4 -2.3(4) . . . . ?
C1 C2 C3 C4 -0.5(5) . . . . ?
C24 C25 C30 C29 -179.1(3) . . . . ?
C2 C3 C4 C5 -1.8(5) . . . . ?
C28 O2 C32 C33 -177.6(3) . . . . ?
C28 C29 C30 C25 -2.0(5) . . . . ?
C28 C27 C26 C25 -2.4(5) . . . . ?
C5 N1 C1 C2 -0.1(5) . . . . ?
C5 N2 N5 C24 -158.5(3) . . . . ?
C5 N2 C6 Pt1 19.7(3) . . . . ?
C5 N2 C6 N3 -158.4(3) . . . . ?
C27 C26 C25 C24 -178.7(3) . . . . ?
C27 C26 C25 C30 0.6(5) . . . . ?
C6 N2 N5 C24 35.7(4) . . . . ?
C6 N2 C5 N1 -10.7(4) . . . . ?
C6 N2 C5 C4 169.3(3) . . . . ?
C6 N3 C7 C8 116.6(4) . . . . ?
C6 N3 C7 C12 -70.2(4) . . . . ?
C26 C25 C30 C29 1.6(5) . . . . ?
C7 N3 C6 Pt1 0.7(5) . . . . ?
C7 N3 C6 N2 178.2(3) . . . . ?
C7 C8 C9 C10 -2.0(6) . . . . ?
C7 C12 C11 C10 -1.4(5) . . . . ?
C8 C7 C12 C14 178.8(3) . . . . ?
C8 C7 C12 C11 -0.5(5) . . . . ?
C8 C9 C10 C11 0.2(6) . . . . ?
C30 C29 C28 O2 -178.1(3) . . . . ?
C30 C29 C28 C27 0.2(5) . . . . ?
C32 O2 C28 C29 -2.6(5) . . . . ?
C32 O2 C28 C27 179.1(3) . . . . ?
C12 C7 C8 C9 2.2(5) . . . . ?
C12 C7 C8 C13 -177.4(3) . . . . ?
C12 C11 C10 C9 1.6(6) . . . . ?
C31 O1 C27 C28 170.6(3) . . . . ?
C31 O1 C27 C26 -9.4(5) . . . . ?
C14 C12 C11 C10 179.3(3) . . . . ?
C16 C21 C20 C19 -2.5(6) . . . . ?
C16 C17 C18 C19 -2.9(6) . . . . ?
C1S C3S C2S F2S 177.9(3) 2_566 . . . ?
C1S C3S C2S C1S -0.1(6) 2_566 . . . ?
C4S C5S C6S F6S 179.8(3) . . . . ?
C4S C5S C6S C4S -1.3(6) . . . 2_856 ?
C6S C5S C4S F4S -179.3(3) . . . . ?
C6S C5S C4S C6S 1.3(6) . . . 2_856 ?
C21 C16 C17 C18 1.7(5) . . . . ?
C21 C16 C17 C22 -179.0(4) . . . . ?
C3S C1S C2S F2S -177.9(3) 2_566 . . . ?
C3S C1S C2S C3S 0.1(6) 2_566 . . . ?
C13 C8 C9 C10 177.5(4) . . . . ?
C17 C16 C21 C23 -177.9(4) . . . . ?
C17 C16 C21 C20 0.9(5) . . . . ?
C17 C18 C19 C20 1.5(7) . . . . ?
C18 C19 C20 C21 1.5(7) . . . . ?
C23 C21 C20 C19 176.2(4) . . . . ?
C22 C17 C18 C19 177.8(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.278
_oxdiff_exptl_absorpt_empirical_full_min 0.854
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexafluorobenzene'
