# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1532909'
_audit_update_record             
;
2017-02-15 deposited with the CCDC.
2017-05-04 downloaded from the CCDC.
;
_audit_creation_date             2017-02-15
_audit_creation_method           'by CrystalStructure 4.2'

# start Validation Reply Form
_vrf_PLAT971_2                   
;
PROBLEM: Check Calcd Residual Density  0.92A From     Pt1       7.24 eA-3  
RESPONSE: None of the crystals were of high quality, and the best available
 sample and data have been used.  Given the presence of Pt, the electron
 density is likely not statistically significant anyway.
;
_vrf_PLAT973_2                   
;
PROBLEM: Check Calcd Positive Residual Density on     Pt1       3.58 eA-3  
RESPONSE: None of the crystals were of high quality, and the best available
 sample and data have been used.  Given the presence of Pt, the electron
 density is likely not statistically significant anyway.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C22 H26 F5 N O2 Pt S'
_chemical_formula_moiety         'C22 H26 F5 N O2 Pt S'
_chemical_formula_weight         658.59
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        P21/m
_space_group_name_Hall           '-P 2yb'
_space_group_IT_number           11
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,+Z
#------------------------------------------------------------------------------
_cell_length_a                   12.916(4)
_cell_length_b                   6.8394(18)
_cell_length_c                   14.546(5)
_cell_angle_alpha                90.0000
_cell_angle_beta                 112.385(8)
_cell_angle_gamma                90.0000
_cell_volume                     1188.1(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1907
_cell_measurement_theta_min      1.70
_cell_measurement_theta_max      24.90
_cell_measurement_temperature    173
#------------------------------------------------------------------------------
_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             640.00
_exptl_absorpt_coefficient_mu    6.027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_T_max  0.942

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      173
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            22880
_diffrn_reflns_av_R_equivalents  0.1172
_diffrn_reflns_theta_max         25.388
_diffrn_reflns_theta_min         1.798
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             2373
_reflns_number_gt                1889
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0746
_refine_ls_wR_factor_ref         0.1994
_refine_ls_wR_factor_gt          0.1799
_refine_ls_number_restraints     22
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         2373
_refine_ls_number_parameters     183
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1178P)²+3.9824P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         6.31
_refine_diff_density_min         -0.93
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.10228(6) 0.2500 0.10583(5) 0.0472(3) Uani 1 2 d S TU P . .
S1 S 0.3168(6) 0.2500 -0.1752(6) 0.104(3) Uani 1 2 d S T P . .
F1 F 0.2675(10) 0.088(3) -0.2586(9) 0.127(5) Uani 1 1 d . . . . .
F2 F 0.3749(9) 0.085(3) -0.0969(8) 0.121(5) Uani 1 1 d . . . . .
F3 F 0.4268(14) 0.2500 -0.2018(13) 0.151(11) Uani 1 2 d S T P . .
O15 O 0.0835(11) 0.2500 0.2430(9) 0.050(3) Uani 1 2 d S T P . .
O17 O 0.2692(10) 0.2500 0.1758(11) 0.073(5) Uani 1 2 d S T P . .
N1 N -0.0617(12) 0.2500 0.0261(13) 0.050(4) Uani 1 2 d S T P . .
C2 C -0.0923(17) 0.2500 -0.0734(19) 0.063(6) Uani 1 2 d S T P . .
C3 C -0.202(2) 0.2500 -0.134(2) 0.075(7) Uani 1 2 d S T P . .
H3 H -0.2229 0.2500 -0.2042 0.090 Uiso 1 2 calc R U P . .
C4 C -0.282(2) 0.2500 -0.093(3) 0.108(11) Uani 1 2 d S T P . .
H4 H -0.3591 0.2500 -0.1353 0.129 Uiso 1 2 calc R U P . .
C5 C -0.251(2) 0.2500 0.006(3) 0.103(10) Uani 1 2 d S T P . .
H5 H -0.3068 0.2500 0.0345 0.124 Uiso 1 2 calc R U P . .
C6 C -0.1378(15) 0.2500 0.068(2) 0.066(6) Uani 1 2 d S T P . .
H6 H -0.1150 0.2500 0.1380 0.079 Uiso 1 2 calc R U P . .
C7 C 0.0040(15) 0.2500 -0.1070(14) 0.053(4) Uani 1 2 d DS TU P . .
C8 C 0.1065(12) 0.2500 -0.0263(14) 0.051(3) Uani 1 2 d DS TU P . .
C9 C 0.2035(15) 0.2500 -0.0469(16) 0.060(5) Uani 1 2 d DS TU P . .
H9 H 0.2755 0.2500 0.0052 0.072 Uiso 1 2 calc R U P . .
C10 C 0.1912(17) 0.2500 -0.1489(16) 0.065(6) Uani 1 2 d S T P . .
C11 C 0.089(2) 0.2500 -0.2235(18) 0.068(6) Uani 1 2 d S T P . .
H11 H 0.0831 0.2500 -0.2905 0.082 Uiso 1 2 calc R U P . .
C12 C -0.0059(18) 0.2500 -0.2047(15) 0.057(5) Uani 1 2 d S T P . .
H12 H -0.0774 0.2500 -0.2575 0.068 Uiso 1 2 calc R U P . .
C13 C 0.000(2) 0.2500 0.380(2) 0.085(8) Uani 1 2 d S T P . .
H13A H -0.0293 0.3706 0.3423 0.102 Uiso 0.5 1 calc R U P . .
H13B H -0.0297 0.1370 0.3359 0.102 Uiso 0.5 1 calc R U P . .
H13C H -0.0233 0.2423 0.4362 0.102 Uiso 0.5 2 calc R U P . .
C14 C 0.130(2) 0.2500 0.4178(16) 0.070(6) Uani 1 2 d DS T P . .
C15 C 0.163(2) 0.2500 0.3252(14) 0.069(6) Uani 1 2 d DS T P . .
C16 C 0.274(2) 0.2500 0.3394(19) 0.102(12) Uani 1 2 d S T P . .
H16 H 0.3252 0.2500 0.4067 0.122 Uiso 1 2 calc R U P . .
C17 C 0.3211(18) 0.2500 0.2695(16) 0.098(11) Uani 1 2 d DS T P . .
C18 C 0.451(2) 0.2500 0.302(2) 0.17(3) Uani 1 2 d DS T P . .
C19 C 0.496(2) 0.055(8) 0.361(2) 0.26(3) Uani 1 1 d . . . . .
H19A H 0.5756 0.0700 0.4021 0.310 Uiso 1 1 calc R U . . .
H19B H 0.4858 -0.0526 0.3139 0.310 Uiso 1 1 calc R U . . .
H19C H 0.4543 0.0274 0.4033 0.310 Uiso 1 1 calc R U . . .
C20 C 0.175(2) 0.063(4) 0.4752(14) 0.103(7) Uani 1 1 d . . . . .
H20A H 0.1481 -0.0493 0.4306 0.123 Uiso 1 1 calc R U . . .
H20B H 0.1477 0.0521 0.5296 0.123 Uiso 1 1 calc R U . . .
H20C H 0.2565 0.0657 0.5026 0.123 Uiso 1 1 calc R U . . .
C21 C 0.4822(19) 0.2500 0.209(2) 0.141(19) Uani 1 2 d S T P . .
H21A H 0.5639 0.2500 0.2307 0.170 Uiso 1 2 calc R U P . .
H21B H 0.4514 0.1330 0.1694 0.170 Uiso 0.5 1 calc R U P . .
H21C H 0.4514 0.3670 0.1694 0.170 Uiso 0.5 1 calc R U P . .


#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b45'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b45'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.2'

#==============================================================================
# MOLECULAR GEOMETRY

_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 C8 1.944(19) . ?
Pt1 N1 1.990(15) . ?
Pt1 O17 2.003(12) . ?
Pt1 O15 2.100(11) . ?
S1 F2 1.577(16) 4_565 ?
S1 F2 1.577(16) . ?
S1 F1 1.587(15) 4_565 ?
S1 F1 1.587(15) . ?
S1 F3 1.608(16) . ?
S1 C10 1.80(2) . ?
O15 C15 1.24(3) . ?
O17 C17 1.27(3) . ?
N1 C6 1.34(3) . ?
N1 C2 1.35(3) . ?
C2 C3 1.35(3) . ?
C2 C7 1.50(3) . ?
C3 C4 1.38(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.35(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.40(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.38(3) . ?
C7 C8 1.395(17) . ?
C8 C9 1.394(17) . ?
C9 C10 1.43(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.36(3) . ?
C11 C12 1.35(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.56(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C20 1.52(3) . ?
C14 C20 1.52(3) 4_565 ?
C14 C15 1.558(18) . ?
C15 C16 1.37(3) . ?
C16 C17 1.37(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.558(19) . ?
C18 C21 1.54(4) . ?
C18 C19 1.57(4) . ?
C18 C19 1.57(4) 4_565 ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 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
C8 Pt1 N1 81.3(7) . . ?
C8 Pt1 O17 94.1(6) . . ?
N1 Pt1 O17 175.4(7) . . ?
C8 Pt1 O15 175.4(6) . . ?
N1 Pt1 O15 94.1(6) . . ?
O17 Pt1 O15 90.5(6) . . ?
F2 S1 F2 91.7(12) 4_565 . ?
F2 S1 F1 89.6(8) 4_565 4_565 ?
F2 S1 F1 174.2(8) . 4_565 ?
F2 S1 F1 174.2(8) 4_565 . ?
F2 S1 F1 89.6(8) . . ?
F1 S1 F1 88.6(12) 4_565 . ?
F2 S1 F3 87.3(6) 4_565 . ?
F2 S1 F3 87.3(6) . . ?
F1 S1 F3 87.1(7) 4_565 . ?
F1 S1 F3 87.1(7) . . ?
F2 S1 C10 93.8(7) 4_565 . ?
F2 S1 C10 93.8(7) . . ?
F1 S1 C10 91.8(7) 4_565 . ?
F1 S1 C10 91.8(7) . . ?
F3 S1 C10 178.4(11) . . ?
C15 O15 Pt1 124.2(13) . . ?
C17 O17 Pt1 124.9(14) . . ?
C6 N1 C2 121.4(18) . . ?
C6 N1 Pt1 122.6(15) . . ?
C2 N1 Pt1 116.0(14) . . ?
N1 C2 C3 121(2) . . ?
N1 C2 C7 114.1(16) . . ?
C3 C2 C7 125(2) . . ?
C2 C3 C4 119(3) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 120(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
N1 C6 C5 119(3) . . ?
N1 C6 H6 120.5 . . ?
C5 C6 H6 120.5 . . ?
C12 C7 C8 123.5(19) . . ?
C12 C7 C2 125.0(17) . . ?
C8 C7 C2 111.5(17) . . ?
C9 C8 C7 117.6(18) . . ?
C9 C8 Pt1 125.3(14) . . ?
C7 C8 Pt1 117.1(13) . . ?
C8 C9 C10 117.9(18) . . ?
C8 C9 H9 121.0 . . ?
C10 C9 H9 121.0 . . ?
C11 C10 C9 121(2) . . ?
C11 C10 S1 121.0(18) . . ?
C9 C10 S1 117.8(15) . . ?
C12 C11 C10 121(2) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C7 118.3(19) . . ?
C11 C12 H12 120.9 . . ?
C7 C12 H12 120.9 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C20 C14 C20 115(2) . 4_565 ?
C20 C14 C13 109.2(14) . . ?
C20 C14 C13 109.2(14) 4_565 . ?
C20 C14 C15 107.8(12) . . ?
C20 C14 C15 107.8(12) 4_565 . ?
C13 C14 C15 108(2) . . ?
O15 C15 C16 125.3(18) . . ?
O15 C15 C14 116(2) . . ?
C16 C15 C14 119(2) . . ?
C15 C16 C17 129(2) . . ?
C15 C16 H16 115.7 . . ?
C17 C16 H16 115.7 . . ?
O17 C17 C16 126(2) . . ?
O17 C17 C18 113(2) . . ?
C16 C17 C18 121(2) . . ?
C21 C18 C17 110(2) . . ?
C21 C18 C19 108.1(16) . . ?
C17 C18 C19 107.2(17) . . ?
C21 C18 C19 108.1(17) . 4_565 ?
C17 C18 C19 107.2(17) . 4_565 ?
C19 C18 C19 116(4) . 4_565 ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C20 H20A 109.5 . . ?
C14 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C14 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 N1 C2 C3 0.000(2) . . . . ?
Pt1 N1 C2 C3 180.000(2) . . . . ?
C6 N1 C2 C7 180.000(1) . . . . ?
Pt1 N1 C2 C7 0.000(1) . . . . ?
N1 C2 C3 C4 0.000(2) . . . . ?
C7 C2 C3 C4 180.000(1) . . . . ?
C2 C3 C4 C5 0.000(2) . . . . ?
C3 C4 C5 C6 0.000(2) . . . . ?
C2 N1 C6 C5 0.000(2) . . . . ?
Pt1 N1 C6 C5 180.000(1) . . . . ?
C4 C5 C6 N1 0.000(1) . . . . ?
N1 C2 C7 C12 180.000(2) . . . . ?
C3 C2 C7 C12 0.000(2) . . . . ?
N1 C2 C7 C8 0.000(1) . . . . ?
C3 C2 C7 C8 180.000(1) . . . . ?
C12 C7 C8 C9 0.000(2) . . . . ?
C2 C7 C8 C9 180.000(1) . . . . ?
C12 C7 C8 Pt1 180.000(2) . . . . ?
C2 C7 C8 Pt1 0.000(1) . . . . ?
C7 C8 C9 C10 0.000(2) . . . . ?
Pt1 C8 C9 C10 180.000(2) . . . . ?
C8 C9 C10 C11 0.000(2) . . . . ?
C8 C9 C10 S1 180.000(1) . . . . ?
F2 S1 C10 C11 134.0(6) 4_565 . . . ?
F2 S1 C10 C11 -134.0(6) . . . . ?
F1 S1 C10 C11 44.3(6) 4_565 . . . ?
F1 S1 C10 C11 -44.3(6) . . . . ?
F2 S1 C10 C9 -46.0(6) 4_565 . . . ?
F2 S1 C10 C9 46.0(6) . . . . ?
F1 S1 C10 C9 -135.7(6) 4_565 . . . ?
F1 S1 C10 C9 135.7(6) . . . . ?
C9 C10 C11 C12 0.000(3) . . . . ?
S1 C10 C11 C12 180.000(2) . . . . ?
C10 C11 C12 C7 0.000(3) . . . . ?
C8 C7 C12 C11 0.000(3) . . . . ?
C2 C7 C12 C11 180.000(2) . . . . ?
Pt1 O15 C15 C16 0.000(6) . . . . ?
Pt1 O15 C15 C14 180.000(4) . . . . ?
C20 C14 C15 O15 117.6(16) . . . . ?
C20 C14 C15 O15 -117.6(16) 4_565 . . . ?
C13 C14 C15 O15 0.000(5) . . . . ?
C20 C14 C15 C16 -62.4(16) . . . . ?
C20 C14 C15 C16 62.4(16) 4_565 . . . ?
C13 C14 C15 C16 180.000(5) . . . . ?
O15 C15 C16 C17 0.000(7) . . . . ?
C14 C15 C16 C17 180.000(5) . . . . ?
Pt1 O17 C17 C16 0.000(5) . . . . ?
Pt1 O17 C17 C18 180.000(3) . . . . ?
C15 C16 C17 O17 0.000(6) . . . . ?
C15 C16 C17 C18 180.000(6) . . . . ?
O17 C17 C18 C21 0.000(3) . . . . ?
C16 C17 C18 C21 180.000(3) . . . . ?
O17 C17 C18 C19 -118(2) . . . . ?
C16 C17 C18 C19 62(2) . . . . ?
O17 C17 C18 C19 118(2) . . . 4_565 ?
C16 C17 C18 C19 -62(2) . . . 4_565 ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane/hexane'
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1532910'
_audit_update_record             
;
2017-02-15 deposited with the CCDC.
2017-05-04 downloaded from the CCDC.
;
_audit_creation_date             2016-06-15
_audit_creation_method           'by CrystalStructure 4.1'

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C22 H26 F5 N O2 Pt S'
_chemical_formula_moiety         'C22 H26 F5 N O2 Pt S'
_chemical_formula_weight         658.59
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        Pbca
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_IT_number           61
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,+Z
3 +X,1/2-Y,1/2+Z
4 1/2-X,-Y,1/2+Z
5 -X,-Y,-Z
6 -1/2+X,-1/2-Y,-Z
7 -X,-1/2+Y,-1/2-Z
8 -1/2+X,+Y,-1/2-Z
#------------------------------------------------------------------------------
_cell_length_a                   12.2353(10)
_cell_length_b                   13.7645(13)
_cell_length_c                   28.3482(18)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     4774.2(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    10073
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      25.40
_cell_measurement_temperature    173
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.030
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2560.00
_exptl_absorpt_coefficient_mu    5.999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_T_max  0.835

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      173
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            36543
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_theta_max         25.343
_diffrn_reflns_theta_min         2.199
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       34
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             4340
_reflns_number_gt                3638
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0167
_refine_ls_wR_factor_ref         0.0328
_refine_ls_wR_factor_gt          0.0304
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         4340
_refine_ls_number_parameters     295
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0081P)²+5.1029P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.53
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.12720(2) 0.11104(2) 0.06847(2) 0.02207(4) Uani 1 1 d . . . . .
S1 S 0.05153(7) 0.10219(6) -0.16004(3) 0.03897(19) Uani 1 1 d . . . . .
F1 F 0.01985(18) 0.21421(13) -0.15793(6) 0.0564(5) Uani 1 1 d . . . . .
F2 F -0.07345(15) 0.07428(14) -0.15559(6) 0.0503(5) Uani 1 1 d . . . . .
F3 F 0.08269(16) -0.00852(12) -0.16725(6) 0.0480(5) Uani 1 1 d . . . . .
F4 F 0.17520(16) 0.13168(14) -0.17000(6) 0.0533(5) Uani 1 1 d . . . . .
F5 F 0.03307(18) 0.10774(14) -0.21548(6) 0.0569(5) Uani 1 1 d . . . . .
O15 O 0.13101(15) 0.14111(13) 0.13989(6) 0.0307(4) Uani 1 1 d . . . . .
O17 O 0.27776(14) 0.05563(14) 0.07055(6) 0.0286(4) Uani 1 1 d . . . . .
N1 N -0.02499(17) 0.16045(15) 0.06117(7) 0.0238(5) Uani 1 1 d . . . . .
C2 C -0.0649(2) 0.16404(19) 0.01633(9) 0.0260(6) Uani 1 1 d . . . . .
C3 C -0.1719(2) 0.19357(19) 0.00851(11) 0.0311(7) Uani 1 1 d . . . . .
H3 H -0.1991 0.1984 -0.0228 0.037 Uiso 1 1 calc R U . . .
C4 C -0.2384(2) 0.2159(2) 0.04616(11) 0.0356(7) Uani 1 1 d . . . . .
H4 H -0.3123 0.2341 0.0411 0.043 Uiso 1 1 calc R U . . .
C5 C -0.1966(2) 0.2114(2) 0.09144(11) 0.0351(7) Uani 1 1 d . . . . .
H5 H -0.2412 0.2269 0.1178 0.042 Uiso 1 1 calc R U . . .
C6 C -0.0895(2) 0.18406(19) 0.09778(10) 0.0308(7) Uani 1 1 d . . . . .
H6 H -0.0604 0.1818 0.1288 0.037 Uiso 1 1 calc R U . . .
C7 C 0.0136(2) 0.13068(17) -0.01910(9) 0.0245(6) Uani 1 1 d . . . . .
C8 C 0.1122(2) 0.09400(17) 0.00017(9) 0.0228(6) Uani 1 1 d . . . . .
C9 C 0.1880(2) 0.05478(19) -0.03171(9) 0.0259(6) Uani 1 1 d . . . . .
H9 H 0.2538 0.0273 -0.0200 0.031 Uiso 1 1 calc R U . . .
C10 C 0.1691(2) 0.0553(2) -0.07979(10) 0.0295(6) Uani 1 1 d . . . . .
H10 H 0.2212 0.0278 -0.1008 0.035 Uiso 1 1 calc R U . . .
C11 C 0.0739(2) 0.09610(19) -0.09723(9) 0.0287(6) Uani 1 1 d . . . . .
C12 C -0.0055(2) 0.13280(18) -0.06732(10) 0.0281(6) Uani 1 1 d . . . . .
H12 H -0.0716 0.1589 -0.0796 0.034 Uiso 1 1 calc R U . . .
C13 C 0.0782(3) 0.1744(3) 0.22977(12) 0.0580(10) Uani 1 1 d . . . . .
H13A H 0.0517 0.2268 0.2094 0.070 Uiso 1 1 calc R U . . .
H13B H 0.0716 0.1941 0.2629 0.070 Uiso 1 1 calc R U . . .
H13C H 0.0344 0.1158 0.2244 0.070 Uiso 1 1 calc R U . . .
C14 C 0.1965(2) 0.1534(3) 0.21855(11) 0.0443(8) Uani 1 1 d . . . . .
C15 C 0.2099(2) 0.1212(2) 0.16725(10) 0.0319(6) Uani 1 1 d . . . . .
C16 C 0.3068(2) 0.0749(2) 0.15311(10) 0.0344(7) Uani 1 1 d . . . . .
H16 H 0.3586 0.0620 0.1773 0.041 Uiso 1 1 calc R U . . .
C17 C 0.3357(2) 0.0459(2) 0.10806(10) 0.0283(6) Uani 1 1 d . . . . .
C18 C 0.4474(2) -0.0009(2) 0.09800(10) 0.0341(7) Uani 1 1 d . . . . .
C19 C 0.5114(3) -0.0265(4) 0.14222(13) 0.0770(14) Uani 1 1 d . . . . .
H19A H 0.5807 -0.0572 0.1333 0.092 Uiso 1 1 calc R U . . .
H19B H 0.4686 -0.0715 0.1616 0.092 Uiso 1 1 calc R U . . .
H19C H 0.5263 0.0328 0.1603 0.092 Uiso 1 1 calc R U . . .
C20 C 0.2663(4) 0.2410(4) 0.22622(17) 0.124(3) Uani 1 1 d . . . . .
H20A H 0.2386 0.2950 0.2071 0.149 Uiso 1 1 calc R U . . .
H20B H 0.3417 0.2263 0.2169 0.149 Uiso 1 1 calc R U . . .
H20C H 0.2646 0.2590 0.2597 0.149 Uiso 1 1 calc R U . . .
C21 C 0.2328(5) 0.0716(4) 0.25228(14) 0.117(2) Uani 1 1 d . . . . .
H21A H 0.2214 0.0922 0.2850 0.140 Uiso 1 1 calc R U . . .
H21B H 0.3105 0.0576 0.2473 0.140 Uiso 1 1 calc R U . . .
H21C H 0.1898 0.0129 0.2460 0.140 Uiso 1 1 calc R U . . .
C22 C 0.5120(3) 0.0726(3) 0.06886(15) 0.0600(10) Uani 1 1 d . . . . .
H22A H 0.4703 0.0899 0.0406 0.072 Uiso 1 1 calc R U . . .
H22B H 0.5822 0.0441 0.0596 0.072 Uiso 1 1 calc R U . . .
H22C H 0.5251 0.1311 0.0877 0.072 Uiso 1 1 calc R U . . .
C23 C 0.4305(3) -0.0923(2) 0.06909(14) 0.0580(10) Uani 1 1 d . . . . .
H23A H 0.3889 -0.0765 0.0406 0.070 Uiso 1 1 calc R U . . .
H23B H 0.3899 -0.1401 0.0878 0.070 Uiso 1 1 calc R U . . .
H23C H 0.5016 -0.1194 0.0602 0.070 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b45'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b45'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_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 C8 1.959(3) . ?
Pt1 N1 1.993(2) . ?
Pt1 O17 1.9946(17) . ?
Pt1 O15 2.0672(18) . ?
S1 F2 1.582(2) . ?
S1 F3 1.5841(19) . ?
S1 F5 1.5898(18) . ?
S1 F1 1.5910(19) . ?
S1 F4 1.592(2) . ?
S1 C11 1.803(3) . ?
O15 C15 1.269(3) . ?
O17 C17 1.285(3) . ?
N1 C6 1.344(3) . ?
N1 C2 1.363(3) . ?
C2 C3 1.388(4) . ?
C2 C7 1.463(4) . ?
C3 C4 1.377(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.374(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.387(4) . ?
C7 C8 1.417(4) . ?
C8 C9 1.403(4) . ?
C9 C10 1.382(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.385(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.510(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C20 1.493(5) . ?
C14 C15 1.529(4) . ?
C14 C21 1.543(6) . ?
C15 C16 1.404(4) . ?
C16 C17 1.384(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.537(4) . ?
C18 C23 1.515(4) . ?
C18 C19 1.520(4) . ?
C18 C22 1.528(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 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
C8 Pt1 N1 81.41(10) . . ?
C8 Pt1 O17 94.02(9) . . ?
N1 Pt1 O17 175.10(8) . . ?
C8 Pt1 O15 173.82(9) . . ?
N1 Pt1 O15 93.12(8) . . ?
O17 Pt1 O15 91.53(7) . . ?
F2 S1 F3 90.54(11) . . ?
F2 S1 F5 87.31(11) . . ?
F3 S1 F5 87.29(10) . . ?
F2 S1 F1 89.82(12) . . ?
F3 S1 F1 174.73(10) . . ?
F5 S1 F1 87.47(10) . . ?
F2 S1 F4 174.28(10) . . ?
F3 S1 F4 89.63(11) . . ?
F5 S1 F4 86.98(11) . . ?
F1 S1 F4 89.49(11) . . ?
F2 S1 C11 93.24(12) . . ?
F3 S1 C11 92.65(11) . . ?
F5 S1 C11 179.44(13) . . ?
F1 S1 C11 92.58(11) . . ?
F4 S1 C11 92.46(12) . . ?
C15 O15 Pt1 124.94(17) . . ?
C17 O17 Pt1 125.01(16) . . ?
C6 N1 C2 120.1(2) . . ?
C6 N1 Pt1 123.45(18) . . ?
C2 N1 Pt1 116.37(17) . . ?
N1 C2 C3 119.8(2) . . ?
N1 C2 C7 113.2(2) . . ?
C3 C2 C7 126.9(3) . . ?
C4 C3 C2 119.9(3) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 119.4(3) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C6 C5 C4 119.1(3) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
N1 C6 C5 121.7(3) . . ?
N1 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C12 C7 C8 122.0(2) . . ?
C12 C7 C2 124.0(2) . . ?
C8 C7 C2 114.0(2) . . ?
C9 C8 C7 116.8(2) . . ?
C9 C8 Pt1 128.4(2) . . ?
C7 C8 Pt1 114.70(19) . . ?
C10 C9 C8 121.5(3) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 119.7(3) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 121.3(2) . . ?
C12 C11 S1 118.8(2) . . ?
C10 C11 S1 119.9(2) . . ?
C11 C12 C7 118.6(2) . . ?
C11 C12 H12 120.7 . . ?
C7 C12 H12 120.7 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C20 C14 C13 111.3(3) . . ?
C20 C14 C15 108.1(3) . . ?
C13 C14 C15 111.1(3) . . ?
C20 C14 C21 109.5(4) . . ?
C13 C14 C21 106.6(3) . . ?
C15 C14 C21 110.3(3) . . ?
O15 C15 C16 124.5(3) . . ?
O15 C15 C14 115.9(2) . . ?
C16 C15 C14 119.6(3) . . ?
C17 C16 C15 127.6(3) . . ?
C17 C16 H16 116.2 . . ?
C15 C16 H16 116.2 . . ?
O17 C17 C16 126.4(2) . . ?
O17 C17 C18 112.4(2) . . ?
C16 C17 C18 121.3(2) . . ?
C23 C18 C19 108.9(3) . . ?
C23 C18 C22 109.2(3) . . ?
C19 C18 C22 109.4(3) . . ?
C23 C18 C17 109.1(2) . . ?
C19 C18 C17 113.7(2) . . ?
C22 C18 C17 106.4(2) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C20 H20A 109.5 . . ?
C14 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C14 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C14 C21 H21A 109.5 . . ?
C14 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C14 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 N1 C2 C3 1.0(4) . . . . ?
Pt1 N1 C2 C3 177.19(19) . . . . ?
C6 N1 C2 C7 -176.6(2) . . . . ?
Pt1 N1 C2 C7 -0.4(3) . . . . ?
N1 C2 C3 C4 -2.3(4) . . . . ?
C7 C2 C3 C4 174.9(3) . . . . ?
C2 C3 C4 C5 2.0(4) . . . . ?
C3 C4 C5 C6 -0.4(4) . . . . ?
C2 N1 C6 C5 0.6(4) . . . . ?
Pt1 N1 C6 C5 -175.3(2) . . . . ?
C4 C5 C6 N1 -0.9(4) . . . . ?
N1 C2 C7 C12 -176.1(2) . . . . ?
C3 C2 C7 C12 6.6(4) . . . . ?
N1 C2 C7 C8 4.7(3) . . . . ?
C3 C2 C7 C8 -172.6(3) . . . . ?
C12 C7 C8 C9 -3.3(4) . . . . ?
C2 C7 C8 C9 175.8(2) . . . . ?
C12 C7 C8 Pt1 173.79(19) . . . . ?
C2 C7 C8 Pt1 -7.0(3) . . . . ?
C7 C8 C9 C10 2.4(4) . . . . ?
Pt1 C8 C9 C10 -174.3(2) . . . . ?
C8 C9 C10 C11 0.6(4) . . . . ?
C9 C10 C11 C12 -2.9(4) . . . . ?
C9 C10 C11 S1 177.1(2) . . . . ?
F2 S1 C11 C12 -40.5(2) . . . . ?
F3 S1 C11 C12 -131.2(2) . . . . ?
F1 S1 C11 C12 49.5(2) . . . . ?
F4 S1 C11 C12 139.1(2) . . . . ?
F2 S1 C11 C10 139.5(2) . . . . ?
F3 S1 C11 C10 48.8(2) . . . . ?
F1 S1 C11 C10 -130.5(2) . . . . ?
F4 S1 C11 C10 -40.9(2) . . . . ?
C10 C11 C12 C7 1.9(4) . . . . ?
S1 C11 C12 C7 -178.03(19) . . . . ?
C8 C7 C12 C11 1.3(4) . . . . ?
C2 C7 C12 C11 -177.9(2) . . . . ?
Pt1 O15 C15 C16 -0.4(4) . . . . ?
Pt1 O15 C15 C14 177.9(2) . . . . ?
C20 C14 C15 O15 -104.5(4) . . . . ?
C13 C14 C15 O15 17.9(4) . . . . ?
C21 C14 C15 O15 135.8(4) . . . . ?
C20 C14 C15 C16 73.9(4) . . . . ?
C13 C14 C15 C16 -163.7(3) . . . . ?
C21 C14 C15 C16 -45.8(4) . . . . ?
O15 C15 C16 C17 2.2(5) . . . . ?
C14 C15 C16 C17 -176.1(3) . . . . ?
Pt1 O17 C17 C16 -2.7(4) . . . . ?
Pt1 O17 C17 C18 178.96(17) . . . . ?
C15 C16 C17 O17 -0.5(5) . . . . ?
C15 C16 C17 C18 177.7(3) . . . . ?
O17 C17 C18 C23 -50.1(3) . . . . ?
C16 C17 C18 C23 131.4(3) . . . . ?
O17 C17 C18 C19 -171.9(3) . . . . ?
C16 C17 C18 C19 9.6(4) . . . . ?
O17 C17 C18 C22 67.5(3) . . . . ?
C16 C17 C18 C22 -110.9(3) . . . . ?

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#===END
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane/hexane'
