# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_ps39
_database_code_depnum_ccdc_archive 'CCDC 1540383'
_audit_update_record             
;
2017-03-27 deposited with the CCDC.
2017-06-05 downloaded from the CCDC.
;
_audit_creation_date             2016-09-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H29 Cl3 F2 N P Pt, C H Cl3'
_chemical_formula_sum            'C39 H30 Cl6 F2 N P Pt'
_chemical_formula_weight         989.40
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H20 N2 O2 F2 P Cl6 Pt'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
P P 0.1023 0.0942 '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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.49295(19)
_cell_length_b                   22.2749(4)
_cell_length_c                   14.2990(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.1028(14)
_cell_angle_gamma                90
_cell_volume                     3659.93(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    34933
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.3840
_cell_measurement_theta_min      2.8370
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.357
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            104681
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         31.865
_diffrn_reflns_theta_min         2.252
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3046
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  25.00   1.00   15.00    --  -16.15 -99.00 -90.00   45
  2  ω    -20.00  25.00   1.00   15.00    --  -16.15 -99.00  90.00   45
  3  ω    -91.00   8.00   1.00   15.00    --  -16.15 -37.00-180.00   99
  4  ω    -11.00  90.00   1.00   15.00    --   17.24  57.00 150.00  101
  5  ω    -20.00  58.00   1.00   15.00    --   17.24 -99.00   0.00   78
  6  ω     34.00 104.00   1.00   15.00    --   17.24-178.00  90.00   70
  7  ω     -7.00  92.00   1.00   15.00    --   17.24  37.00   0.00   99
  8  ω    -11.00  90.00   1.00   15.00    --   17.24  57.00  60.00  101
  9  ω   -103.00 -55.00   1.00   15.00    --  -16.15 178.00 -30.00   48
 10  ω   -103.00 -55.00   1.00   15.00    --  -16.15 178.00  60.00   48
 11  ω   -105.00 -57.00   1.00   15.00    --  -16.15-178.00 120.00   48
 12  ω    -20.00  24.00   1.00   15.00    --   17.24 -99.00-150.00   44
 13  ω      0.00  72.00   1.00   15.00    --   17.24-123.00 151.00   72
 14  ω    -20.00  58.00   1.00   15.00    --   17.24 -99.00 -90.00   78
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0122534000
_diffrn_orient_matrix_UB_12      0.0311197000
_diffrn_orient_matrix_UB_13      -0.0035991000
_diffrn_orient_matrix_UB_21      -0.0604321000
_diffrn_orient_matrix_UB_22      0.0061634000
_diffrn_orient_matrix_UB_23      -0.0040825000
_diffrn_orient_matrix_UB_31      -0.0029423000
_diffrn_orient_matrix_UB_32      0.0028022000
_diffrn_orient_matrix_UB_33      0.0493033000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10295
_reflns_number_total             11956
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.98
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.458
_refine_diff_density_min         -0.920
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         11956
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0255
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0179P)²+2.7387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0490
_refine_ls_wR_factor_ref         0.0519
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C39(H39)
2.b Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B), C32(H32A,H32B), C24(H24A,H24B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C8(H8), C28(H28), C13(H13), C22(H22), C31(H31), C5(H5), C30(H30),
 C29(H29), C27(H27), C4(H4), C10(H10), C21(H21), C34(H34), C14(H14), C16(H16),
 C35(H35), C9(H9), C20(H20), C19(H19), C38(H38), C36(H36), C37(H37)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.73720(2) 0.77133(2) 0.89522(2) 0.01339(2) Uani 1 1 d . . . . .
Cl1 Cl 0.60445(5) 0.71965(2) 0.98342(4) 0.02106(11) Uani 1 1 d . . . . .
P1 P 0.73041(5) 0.84666(2) 1.00664(4) 0.01350(10) Uani 1 1 d . . . . .
Cl3 Cl 0.74755(5) 0.68846(2) 0.78988(4) 0.02427(11) Uani 1 1 d . . . . .
Cl2 Cl 0.88266(5) 0.72724(3) 0.99849(4) 0.02241(11) Uani 1 1 d . . . . .
Cl4 Cl 0.68920(7) 0.56413(3) 1.06924(5) 0.04055(16) Uani 1 1 d . . . . .
Cl5 Cl 0.67955(8) 0.52855(4) 0.87496(6) 0.0511(2) Uani 1 1 d . . . . .
Cl6 Cl 0.90030(6) 0.55017(4) 0.96620(6) 0.0498(2) Uani 1 1 d . . . . .
N7 N 0.83860(15) 0.81478(8) 0.79437(11) 0.0149(3) Uani 1 1 d . . . . .
F15 F 1.30379(14) 0.77558(7) 1.05564(11) 0.0383(4) Uani 1 1 d . . . . .
F3 F 0.29732(12) 0.81968(7) 0.77451(10) 0.0335(3) Uani 1 1 d . . . . .
C1 C 0.60700(18) 0.80545(9) 0.81325(13) 0.0148(4) Uani 1 1 d . . . . .
C7 C 0.77197(19) 0.83707(10) 0.72225(14) 0.0163(4) Uani 1 1 d . . . . .
C6 C 0.64637(19) 0.83529(10) 0.73407(14) 0.0171(4) Uani 1 1 d . . . . .
C11 C 0.95590(18) 0.81175(10) 0.78466(14) 0.0170(4) Uani 1 1 d . . . . .
C2 C 0.48824(19) 0.79946(10) 0.82677(15) 0.0195(4) Uani 1 1 d . . . . .
H2 H 0.4594 0.7787 0.8795 0.023 Uiso 1 1 calc R . . . .
C8 C 0.8224(2) 0.85754(10) 0.64025(15) 0.0210(4) Uani 1 1 d . . . . .
H8 H 0.7755 0.8756 0.5926 0.025 Uiso 1 1 calc R . . . .
C25 C 0.70585(19) 0.81469(10) 1.12413(13) 0.0169(4) Uani 1 1 d . . . . .
H25A H 0.6209 0.8137 1.1342 0.020 Uiso 1 1 calc R . . . .
H25B H 0.7334 0.7726 1.1240 0.020 Uiso 1 1 calc R . . . .
C32 C 0.61176(19) 0.89943(10) 0.98054(15) 0.0197(4) Uani 1 1 d . . . . .
H32A H 0.6401 0.9293 0.9351 0.024 Uiso 1 1 calc R . . . .
H32B H 0.5476 0.8769 0.9495 0.024 Uiso 1 1 calc R . . . .
C24 C 0.86414(18) 0.88967(10) 1.02312(14) 0.0163(4) Uani 1 1 d . . . . .
H24A H 0.8509 0.9178 1.0754 0.020 Uiso 1 1 calc R . . . .
H24B H 0.9248 0.8611 1.0450 0.020 Uiso 1 1 calc R . . . .
C12 C 1.03794(18) 0.79852(10) 0.86384(14) 0.0169(4) Uani 1 1 d . . . . .
C39 C 0.7538(2) 0.57202(12) 0.95884(17) 0.0290(5) Uani 1 1 d . . . . .
H39 H 0.7497 0.6151 0.9396 0.035 Uiso 1 1 calc R . . . .
C17 C 1.07146(18) 0.84622(10) 0.92146(15) 0.0177(4) Uani 1 1 d . . . . .
C28 C 0.9299(2) 0.85971(11) 1.31034(16) 0.0272(5) Uani 1 1 d . . . . .
H28 H 1.0085 0.8507 1.3265 0.033 Uiso 1 1 calc R . . . .
C13 C 1.0952(2) 0.74339(11) 0.87080(16) 0.0217(5) Uani 1 1 d . . . . .
H13 H 1.0729 0.7112 0.8307 0.026 Uiso 1 1 calc R . . . .
C26 C 0.76272(19) 0.84626(10) 1.20678(14) 0.0173(4) Uani 1 1 d . . . . .
C3 C 0.41355(19) 0.82462(11) 0.76129(16) 0.0218(5) Uani 1 1 d . . . . .
C22 C 0.8704(2) 0.98166(10) 0.91889(15) 0.0195(4) Uani 1 1 d . . . . .
H22 H 0.8004 0.9951 0.9464 0.023 Uiso 1 1 calc R . . . .
C31 C 0.7008(2) 0.88576(10) 1.26270(14) 0.0201(4) Uani 1 1 d . . . . .
H31 H 0.6220 0.8948 1.2470 0.024 Uiso 1 1 calc R . . . .
C23 C 0.91646(18) 0.92592(9) 0.94482(14) 0.0153(4) Uani 1 1 d . . . . .
C5 C 0.5671(2) 0.85974(11) 0.66950(15) 0.0220(5) Uani 1 1 d . . . . .
H5 H 0.5946 0.8800 0.6158 0.026 Uiso 1 1 calc R . . . .
C30 C 0.7527(2) 0.91216(11) 1.34117(15) 0.0261(5) Uani 1 1 d . . . . .
H30 H 0.7094 0.9390 1.3787 0.031 Uiso 1 1 calc R . . . .
C18 C 1.01977(18) 0.90685(9) 0.90368(14) 0.0162(4) Uani 1 1 d . . . . .
C29 C 0.8674(2) 0.89937(11) 1.36465(16) 0.0281(5) Uani 1 1 d . . . . .
H29 H 0.9032 0.9177 1.4178 0.034 Uiso 1 1 calc R . . . .
C27 C 0.8777(2) 0.83315(10) 1.23225(15) 0.0212(5) Uani 1 1 d . . . . .
H27 H 0.9209 0.8057 1.1957 0.025 Uiso 1 1 calc R . . . .
C4 C 0.4488(2) 0.85456(11) 0.68332(16) 0.0237(5) Uani 1 1 d . . . . .
H4 H 0.3939 0.8712 0.6401 0.028 Uiso 1 1 calc R . . . .
C10 C 1.0063(2) 0.82809(11) 0.70101(15) 0.0212(5) Uani 1 1 d . . . . .
H10 H 1.0877 0.8231 0.6936 0.025 Uiso 1 1 calc R . . . .
C21 C 0.9248(2) 1.01774(10) 0.85380(16) 0.0228(5) Uani 1 1 d . . . . .
H21 H 0.8912 1.0551 0.8361 0.027 Uiso 1 1 calc R . . . .
C34 C 0.6135(2) 0.98501(10) 1.09791(15) 0.0219(5) Uani 1 1 d . . . . .
H34 H 0.6821 1.0004 1.0707 0.026 Uiso 1 1 calc R . . . .
C15 C 1.2140(2) 0.78264(12) 0.99341(17) 0.0256(5) Uani 1 1 d . . . . .
C33 C 0.56269(19) 0.93281(10) 1.06222(15) 0.0185(4) Uani 1 1 d . . . . .
C14 C 1.1845(2) 0.73546(11) 0.93612(17) 0.0255(5) Uani 1 1 d . . . . .
H14 H 1.2243 0.6982 0.9411 0.031 Uiso 1 1 calc R . . . .
C16 C 1.1603(2) 0.83797(11) 0.98864(16) 0.0224(5) Uani 1 1 d . . . . .
H16 H 1.1829 0.8696 1.0297 0.027 Uiso 1 1 calc R . . . .
C35 C 0.5650(2) 1.01471(11) 1.17262(17) 0.0302(6) Uani 1 1 d . . . . .
H35 H 0.6006 1.0502 1.1964 0.036 Uiso 1 1 calc R . . . .
C9 C 0.9396(2) 0.85154(11) 0.62854(15) 0.0237(5) Uani 1 1 d . . . . .
H9 H 0.9745 0.8633 0.5717 0.028 Uiso 1 1 calc R . . . .
C20 C 1.0281(2) 0.99921(11) 0.81469(16) 0.0238(5) Uani 1 1 d . . . . .
H20 H 1.0666 1.0241 0.7711 0.029 Uiso 1 1 calc R . . . .
C19 C 1.0747(2) 0.94432(10) 0.83954(15) 0.0213(5) Uani 1 1 d . . . . .
H19 H 1.1455 0.9317 0.8126 0.026 Uiso 1 1 calc R . . . .
C38 C 0.4618(2) 0.91154(11) 1.10350(17) 0.0255(5) Uani 1 1 d . . . . .
H38 H 0.4257 0.8761 1.0800 0.031 Uiso 1 1 calc R . . . .
C36 C 0.4646(2) 0.99300(12) 1.21309(18) 0.0333(6) Uani 1 1 d . . . . .
H36 H 0.4315 1.0136 1.2643 0.040 Uiso 1 1 calc R . . . .
C37 C 0.4131(2) 0.94149(13) 1.17871(19) 0.0332(6) Uani 1 1 d . . . . .
H37 H 0.3445 0.9264 1.2063 0.040 Uiso 1 1 calc R . . . .


_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 2.3060(5) . ?
Pt1 P1 2.3162(5) . ?
Pt1 Cl3 2.3870(5) . ?
Pt1 Cl2 2.4175(5) . ?
Pt1 N7 2.1070(16) . ?
Pt1 C1 2.031(2) . ?
P1 C25 1.851(2) . ?
P1 C32 1.833(2) . ?
P1 C24 1.823(2) . ?
Cl4 C39 1.766(3) . ?
Cl5 C39 1.751(3) . ?
Cl6 C39 1.753(3) . ?
N7 C7 1.366(3) . ?
N7 C11 1.360(3) . ?
F15 C15 1.358(3) . ?
F3 C3 1.357(3) . ?
C1 C6 1.396(3) . ?
C1 C2 1.389(3) . ?
C7 C6 1.457(3) . ?
C7 C8 1.395(3) . ?
C6 C5 1.395(3) . ?
C11 C12 1.489(3) . ?
C11 C10 1.388(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.377(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.367(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.513(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.503(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C23 1.514(3) . ?
C12 C17 1.394(3) . ?
C12 C13 1.396(3) . ?
C39 H39 1.0000 . ?
C17 C18 1.495(3) . ?
C17 C16 1.401(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(4) . ?
C28 C27 1.390(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(3) . ?
C26 C31 1.394(3) . ?
C26 C27 1.395(3) . ?
C3 C4 1.367(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.397(3) . ?
C22 C21 1.388(3) . ?
C31 H31 0.9500 . ?
C31 C30 1.391(3) . ?
C23 C18 1.401(3) . ?
C5 H5 0.9500 . ?
C5 C4 1.383(3) . ?
C30 H30 0.9500 . ?
C30 C29 1.384(4) . ?
C18 C19 1.400(3) . ?
C29 H29 0.9500 . ?
C27 H27 0.9500 . ?
C4 H4 0.9500 . ?
C10 H10 0.9500 . ?
C10 C9 1.379(3) . ?
C21 H21 0.9500 . ?
C21 C20 1.386(3) . ?
C34 H34 0.9500 . ?
C34 C33 1.393(3) . ?
C34 C35 1.383(3) . ?
C15 C14 1.371(4) . ?
C15 C16 1.379(3) . ?
C33 C38 1.394(3) . ?
C14 H14 0.9500 . ?
C16 H16 0.9500 . ?
C35 H35 0.9500 . ?
C35 C36 1.388(4) . ?
C9 H9 0.9500 . ?
C20 H20 0.9500 . ?
C20 C19 1.378(3) . ?
C19 H19 0.9500 . ?
C38 H38 0.9500 . ?
C38 C37 1.392(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.377(4) . ?
C37 H37 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
Cl1 Pt1 P1 87.370(19) . . ?
Cl1 Pt1 Cl3 90.032(19) . . ?
Cl1 Pt1 Cl2 85.42(2) . . ?
P1 Pt1 Cl3 175.622(19) . . ?
P1 Pt1 Cl2 84.619(19) . . ?
Cl3 Pt1 Cl2 91.66(2) . . ?
N7 Pt1 Cl1 169.78(5) . . ?
N7 Pt1 P1 99.46(5) . . ?
N7 Pt1 Cl3 83.59(5) . . ?
N7 Pt1 Cl2 102.69(5) . . ?
C1 Pt1 Cl1 90.83(6) . . ?
C1 Pt1 P1 95.26(6) . . ?
C1 Pt1 Cl3 88.30(6) . . ?
C1 Pt1 Cl2 176.26(6) . . ?
C1 Pt1 N7 81.03(7) . . ?
C25 P1 Pt1 110.69(7) . . ?
C32 P1 Pt1 111.06(7) . . ?
C32 P1 C25 107.79(10) . . ?
C24 P1 Pt1 115.49(7) . . ?
C24 P1 C25 103.16(10) . . ?
C24 P1 C32 108.14(10) . . ?
C7 N7 Pt1 111.98(13) . . ?
C11 N7 Pt1 127.57(14) . . ?
C11 N7 C7 118.92(17) . . ?
C6 C1 Pt1 113.56(15) . . ?
C2 C1 Pt1 126.81(16) . . ?
C2 C1 C6 119.6(2) . . ?
N7 C7 C6 116.41(18) . . ?
N7 C7 C8 121.1(2) . . ?
C8 C7 C6 122.4(2) . . ?
C1 C6 C7 116.38(19) . . ?
C5 C6 C1 120.3(2) . . ?
C5 C6 C7 123.24(19) . . ?
N7 C11 C12 123.15(18) . . ?
N7 C11 C10 120.4(2) . . ?
C10 C11 C12 116.02(19) . . ?
C1 C2 H2 121.1 . . ?
C3 C2 C1 117.9(2) . . ?
C3 C2 H2 121.1 . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.9(2) . . ?
C9 C8 H8 120.1 . . ?
P1 C25 H25A 108.0 . . ?
P1 C25 H25B 108.0 . . ?
H25A C25 H25B 107.2 . . ?
C26 C25 P1 117.32(15) . . ?
C26 C25 H25A 108.0 . . ?
C26 C25 H25B 108.0 . . ?
P1 C32 H32A 108.1 . . ?
P1 C32 H32B 108.1 . . ?
H32A C32 H32B 107.3 . . ?
C33 C32 P1 116.59(15) . . ?
C33 C32 H32A 108.1 . . ?
C33 C32 H32B 108.1 . . ?
P1 C24 H24A 106.8 . . ?
P1 C24 H24B 106.8 . . ?
H24A C24 H24B 106.7 . . ?
C23 C24 P1 122.04(15) . . ?
C23 C24 H24A 106.8 . . ?
C23 C24 H24B 106.8 . . ?
C17 C12 C11 117.54(19) . . ?
C17 C12 C13 120.2(2) . . ?
C13 C12 C11 121.3(2) . . ?
Cl4 C39 H39 108.8 . . ?
Cl5 C39 Cl4 110.45(15) . . ?
Cl5 C39 Cl6 110.03(14) . . ?
Cl5 C39 H39 108.8 . . ?
Cl6 C39 Cl4 109.78(14) . . ?
Cl6 C39 H39 108.8 . . ?
C12 C17 C18 118.92(19) . . ?
C12 C17 C16 119.7(2) . . ?
C16 C17 C18 121.1(2) . . ?
C29 C28 H28 120.0 . . ?
C29 C28 C27 120.1(2) . . ?
C27 C28 H28 120.0 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(2) . . ?
C14 C13 H13 119.9 . . ?
C31 C26 C25 121.6(2) . . ?
C31 C26 C27 118.3(2) . . ?
C27 C26 C25 120.0(2) . . ?
F3 C3 C2 118.3(2) . . ?
F3 C3 C4 117.5(2) . . ?
C4 C3 C2 124.2(2) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C21 C22 C23 121.3(2) . . ?
C26 C31 H31 119.6 . . ?
C30 C31 C26 120.9(2) . . ?
C30 C31 H31 119.6 . . ?
C22 C23 C24 121.07(19) . . ?
C22 C23 C18 118.56(19) . . ?
C18 C23 C24 120.03(19) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 C6 120.3(2) . . ?
C4 C5 H5 119.9 . . ?
C31 C30 H30 120.0 . . ?
C29 C30 C31 120.0(2) . . ?
C29 C30 H30 120.0 . . ?
C23 C18 C17 122.66(18) . . ?
C19 C18 C17 117.85(19) . . ?
C19 C18 C23 119.4(2) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.8(2) . . ?
C30 C29 H29 120.1 . . ?
C28 C27 C26 120.9(2) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C3 C4 C5 117.7(2) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
C11 C10 H10 119.6 . . ?
C9 C10 C11 120.8(2) . . ?
C9 C10 H10 119.6 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 C22 119.9(2) . . ?
C20 C21 H21 120.0 . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C35 C34 C33 120.7(2) . . ?
F15 C15 C14 118.6(2) . . ?
F15 C15 C16 118.0(2) . . ?
C14 C15 C16 123.3(2) . . ?
C34 C33 C32 122.4(2) . . ?
C34 C33 C38 118.3(2) . . ?
C38 C33 C32 119.2(2) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 C13 118.5(2) . . ?
C15 C14 H14 120.8 . . ?
C17 C16 H16 121.0 . . ?
C15 C16 C17 118.1(2) . . ?
C15 C16 H16 121.0 . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.4(2) . . ?
C36 C35 H35 119.8 . . ?
C8 C9 C10 118.6(2) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?
C21 C20 H20 120.3 . . ?
C19 C20 C21 119.5(2) . . ?
C19 C20 H20 120.3 . . ?
C18 C19 H19 119.3 . . ?
C20 C19 C18 121.3(2) . . ?
C20 C19 H19 119.3 . . ?
C33 C38 H38 119.5 . . ?
C37 C38 C33 120.9(2) . . ?
C37 C38 H38 119.5 . . ?
C35 C36 H36 120.1 . . ?
C37 C36 C35 119.8(2) . . ?
C37 C36 H36 120.1 . . ?
C38 C37 H37 120.0 . . ?
C36 C37 C38 119.9(2) . . ?
C36 C37 H37 120.0 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C39 H39 Cl1 1.00 2.94 3.729(3) 136.5 .
C39 H39 Cl3 1.00 2.69 3.544(3) 143.2 .
C39 H39 Cl2 1.00 3.04 3.800(3) 133.8 .

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 P1 C25 C26 146.38(15) . . . . ?
Pt1 P1 C32 C33 153.97(15) . . . . ?
Pt1 P1 C24 C23 61.12(19) . . . . ?
Pt1 N7 C7 C6 8.9(2) . . . . ?
Pt1 N7 C7 C8 -168.04(17) . . . . ?
Pt1 N7 C11 C12 -26.4(3) . . . . ?
Pt1 N7 C11 C10 161.29(16) . . . . ?
Pt1 C1 C6 C7 0.3(2) . . . . ?
Pt1 C1 C6 C5 178.20(17) . . . . ?
Pt1 C1 C2 C3 -178.10(16) . . . . ?
P1 C25 C26 C31 99.6(2) . . . . ?
P1 C25 C26 C27 -84.6(2) . . . . ?
P1 C32 C33 C34 83.6(2) . . . . ?
P1 C32 C33 C38 -97.3(2) . . . . ?
P1 C24 C23 C22 77.6(2) . . . . ?
P1 C24 C23 C18 -109.1(2) . . . . ?
N7 C7 C6 C1 -6.4(3) . . . . ?
N7 C7 C6 C5 175.8(2) . . . . ?
N7 C7 C8 C9 4.6(3) . . . . ?
N7 C11 C12 C17 -83.2(3) . . . . ?
N7 C11 C12 C13 107.9(2) . . . . ?
N7 C11 C10 C9 4.5(3) . . . . ?
F15 C15 C14 C13 -178.1(2) . . . . ?
F15 C15 C16 C17 177.0(2) . . . . ?
F3 C3 C4 C5 180.0(2) . . . . ?
C1 C6 C5 C4 -0.1(3) . . . . ?
C1 C2 C3 F3 -179.16(19) . . . . ?
C1 C2 C3 C4 0.7(3) . . . . ?
C7 N7 C11 C12 168.9(2) . . . . ?
C7 N7 C11 C10 -3.4(3) . . . . ?
C7 C6 C5 C4 177.6(2) . . . . ?
C7 C8 C9 C10 -3.5(3) . . . . ?
C6 C1 C2 C3 -1.2(3) . . . . ?
C6 C7 C8 C9 -172.1(2) . . . . ?
C6 C5 C4 C3 -0.4(3) . . . . ?
C11 N7 C7 C6 175.81(18) . . . . ?
C11 N7 C7 C8 -1.1(3) . . . . ?
C11 C12 C17 C18 2.7(3) . . . . ?
C11 C12 C17 C16 -171.21(19) . . . . ?
C11 C12 C13 C14 169.7(2) . . . . ?
C11 C10 C9 C8 -1.0(4) . . . . ?
C2 C1 C6 C7 -176.93(19) . . . . ?
C2 C1 C6 C5 0.9(3) . . . . ?
C2 C3 C4 C5 0.1(4) . . . . ?
C8 C7 C6 C1 170.5(2) . . . . ?
C8 C7 C6 C5 -7.3(3) . . . . ?
C25 P1 C32 C33 32.6(2) . . . . ?
C25 P1 C24 C23 -178.00(17) . . . . ?
C25 C26 C31 C30 176.8(2) . . . . ?
C25 C26 C27 C28 -177.2(2) . . . . ?
C32 P1 C25 C26 -91.98(18) . . . . ?
C32 P1 C24 C23 -63.99(19) . . . . ?
C32 C33 C38 C37 -179.4(2) . . . . ?
C24 P1 C25 C26 22.28(19) . . . . ?
C24 P1 C32 C33 -78.34(19) . . . . ?
C24 C23 C18 C17 11.1(3) . . . . ?
C24 C23 C18 C19 -172.28(19) . . . . ?
C12 C11 C10 C9 -168.3(2) . . . . ?
C12 C17 C18 C23 89.3(3) . . . . ?
C12 C17 C18 C19 -87.4(3) . . . . ?
C12 C17 C16 C15 1.8(3) . . . . ?
C12 C13 C14 C15 0.4(3) . . . . ?
C17 C12 C13 C14 1.1(3) . . . . ?
C17 C18 C19 C20 175.6(2) . . . . ?
C13 C12 C17 C18 171.78(19) . . . . ?
C13 C12 C17 C16 -2.2(3) . . . . ?
C26 C31 C30 C29 0.0(3) . . . . ?
C22 C23 C18 C17 -175.5(2) . . . . ?
C22 C23 C18 C19 1.2(3) . . . . ?
C22 C21 C20 C19 1.4(4) . . . . ?
C31 C26 C27 C28 -1.3(3) . . . . ?
C31 C30 C29 C28 -0.7(3) . . . . ?
C23 C22 C21 C20 -1.4(4) . . . . ?
C23 C18 C19 C20 -1.2(3) . . . . ?
C18 C17 C16 C15 -172.0(2) . . . . ?
C29 C28 C27 C26 0.6(3) . . . . ?
C27 C28 C29 C30 0.4(3) . . . . ?
C27 C26 C31 C30 0.9(3) . . . . ?
C10 C11 C12 C17 89.4(2) . . . . ?
C10 C11 C12 C13 -79.5(3) . . . . ?
C21 C22 C23 C24 173.5(2) . . . . ?
C21 C22 C23 C18 0.1(3) . . . . ?
C21 C20 C19 C18 -0.1(4) . . . . ?
C34 C33 C38 C37 -0.3(3) . . . . ?
C34 C35 C36 C37 0.1(4) . . . . ?
C33 C34 C35 C36 -0.2(4) . . . . ?
C33 C38 C37 C36 0.2(4) . . . . ?
C14 C15 C16 C17 -0.3(4) . . . . ?
C16 C17 C18 C23 -96.8(3) . . . . ?
C16 C17 C18 C19 86.5(3) . . . . ?
C16 C15 C14 C13 -0.8(4) . . . . ?
C35 C34 C33 C32 179.4(2) . . . . ?
C35 C34 C33 C38 0.2(3) . . . . ?
C35 C36 C37 C38 -0.2(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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 2.255
_oxdiff_exptl_absorpt_empirical_full_min 0.462
####################################################################### 
# 
# 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_ps33
_database_code_depnum_ccdc_archive 'CCDC 1540380'
_audit_update_record             
;
2017-03-27 deposited with the CCDC.
2017-06-05 downloaded from the CCDC.
;
_audit_creation_date             2016-06-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H30 F2 N P Pt'
_chemical_formula_sum            'C38 H30 F2 N P Pt'
_chemical_formula_weight         764.69
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H20 N2 O2 F 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'
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'
P P 0.2955 0.4335 '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                   12.1213(8)
_cell_length_b                   12.1909(7)
_cell_length_c                   12.2729(8)
_cell_angle_alpha                68.816(6)
_cell_angle_beta                 69.917(6)
_cell_angle_gamma                64.636(6)
_cell_volume                     1489.22(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    18316
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      73.4320
_cell_measurement_theta_min      3.9460
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.654
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.18333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            27666
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.900
_diffrn_reflns_theta_min         3.964
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3046
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -122.00  -1.00   1.00    1.00    --  -41.57 -19.00 -90.00  121
  2  ω    -66.00  33.00   1.00    1.00    --  -41.57  37.00  90.00   99
  3  ω      1.00  82.00   1.00    1.00    --   41.57 -99.00 -30.00   81
  4  ω      1.00  82.00   1.00    1.00    --   41.57 -99.00-180.00   81
  5  ω     25.00 160.00   1.00    4.00    --  107.00 -15.00 -60.00  135
  6  ω     34.00 121.00   1.00    4.00    --  107.00-125.00  60.00   87
  7  ω     79.00 178.00   1.00    4.00    --  107.00  30.00 120.00   99
  8  ω     79.00 178.00   1.00    4.00    --  107.00  30.00 -30.00   99
  9  ω     34.00 121.00   1.00    4.00    --  107.00-125.00-120.00   87
 10  ω     35.00 136.00   1.00    4.00    --  107.00 -61.00-150.00  101
 11  ω     35.00 136.00   1.00    4.00    --  107.00 -61.00  30.00  101
 12  ω   -118.00  -9.00   1.00    1.00    --  -41.57 -77.00  90.00  109
 13  ω   -115.00 -13.00   1.00    1.00    --  -41.57 -57.00-180.00  102
 14  ω      9.00 118.00   1.00    1.00    --   41.57  77.00   0.00  109
 15  ω     74.00 178.00   1.00    4.00    --  107.00  77.00-120.00  104
 16  ω     79.00 178.00   1.00    4.00    --  107.00  30.00-150.00   99
 17  ω     78.00 178.00   1.00    4.00    --  107.00  61.00   0.00  100
 18  ω     78.00 178.00   1.00    4.00    --  107.00  61.00  60.00  100
 19  ω     81.00 178.00   1.00    4.00    --  107.00  45.00 150.00   97
 20  ω     78.00 178.00   1.00    4.00    --  107.00  61.00  30.00  100
 21  ω   -118.00  -9.00   1.00    1.00    --  -41.57 -77.00   0.00  109
 22  ω   -115.00 -13.00   1.00    1.00    --  -41.57 -57.00 120.00  102
 23  ω      9.00 118.00   1.00    1.00    --   41.57  77.00 -90.00  109
 24  ω     74.00 178.00   1.00    4.00    --  107.00  77.00  90.00  104
 25  ω     74.00 178.00   1.00    4.00    --  107.00  77.00 -60.00  104
 26  ω     74.00 178.00   1.00    4.00    --  107.00  77.00 -90.00  104
 27  ω     74.00 178.00   1.00    4.00    --  107.00  77.00 -30.00  104
 28  ω     74.00 178.00   1.00    4.00    --  107.00  77.00 150.00  104
 29  ω     74.00 178.00   1.00    4.00    --  107.00  77.00-150.00  104
 30  ω   -116.00 -17.00   1.00    1.00    --  -41.57 -37.00-120.00   99
 31  ω     57.00 130.00   1.00    1.00    --   41.57 178.00   0.00   73
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0804362000
_diffrn_orient_matrix_UB_12      0.1402359000
_diffrn_orient_matrix_UB_13      -0.0157062000
_diffrn_orient_matrix_UB_21      -0.0986092000
_diffrn_orient_matrix_UB_22      -0.0331272000
_diffrn_orient_matrix_UB_23      0.1124038000
_diffrn_orient_matrix_UB_31      0.0680692000
_diffrn_orient_matrix_UB_32      0.0112499000
_diffrn_orient_matrix_UB_33      0.0787269000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\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                5672
_reflns_number_total             5891
_reflns_odcompleteness_completeness 99.70
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.480
_refine_diff_density_min         -1.235
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5891
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0294
_refine_ls_restrained_S_all      1.072
_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)+(0.0506P)²+0.6526P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0772
_refine_special_details          ?
_olex2_refinement_description    
;

SIMU restraints were used to make the thermal ellipsoids of some of the atoms at the 
back edge of the pyridine ligand less elongated


1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
C2 \\sim C3 \\sim F3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim F15: within
1.7A with sigma of 0.004 and sigma for terminal atoms of 0.008
3.a Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B), C25(H25A,H25B), C18(H18A,H18B)
3.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C37(H37), C27(H27), C28(H28), C38(H38), C29(H29), C31(H31), C2(H2),
 C21(H21), C16(H16), C34(H34), C30(H30), C24(H24), C36(H36), C22(H22), C35(H35),
  C23(H23), C13(H13), C10(H10), C5(H5), C9(H9), C8(H8), C14(H14), C4(H4)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.76598(2) 0.16734(2) 0.67260(2) 0.03396(7) Uani 1 1 d . . . . .
P1 P 0.73541(7) 0.36563(7) 0.65429(7) 0.02901(16) Uani 1 1 d . . . . .
F15 F 1.0049(3) 0.3019(3) 0.1949(2) 0.0717(8) Uani 1 1 d . U . . .
F3 F 0.6320(4) 0.1175(4) 1.1626(3) 0.0909(11) Uani 1 1 d . U . . .
N7 N 0.7651(3) 0.0006(3) 0.6736(4) 0.0480(8) Uani 1 1 d . . . . .
C26 C 0.6229(3) 0.6044(3) 0.5012(3) 0.0296(6) Uani 1 1 d . . . . .
C19 C 0.9376(3) 0.3593(3) 0.7192(3) 0.0355(7) Uani 1 1 d . . . . .
C32 C 0.6450(3) 0.4448(3) 0.7765(3) 0.0361(7) Uani 1 1 d . . . . .
H32A H 0.6851 0.3966 0.8457 0.043 Uiso 1 1 calc R . . . .
H32B H 0.6528 0.5286 0.7496 0.043 Uiso 1 1 calc R . . . .
C25 C 0.6498(3) 0.4650(3) 0.5347(3) 0.0355(7) Uani 1 1 d . . . . .
H25A H 0.6980 0.4344 0.4617 0.043 Uiso 1 1 calc R . . . .
H25B H 0.5687 0.4518 0.5589 0.043 Uiso 1 1 calc R . . . .
C1 C 0.7063(4) 0.0978(4) 0.8553(4) 0.0464(9) Uani 1 1 d . . . . .
C17 C 0.8426(3) 0.1693(3) 0.4919(3) 0.0394(7) Uani 1 1 d . . . . .
C20 C 0.9726(3) 0.2343(4) 0.7825(4) 0.0455(8) Uani 1 1 d . . . . .
H20 H 0.9580 0.1753 0.7606 0.055 Uiso 1 1 calc R . . . .
C37 C 0.3259(4) 0.4102(4) 0.8498(4) 0.0450(8) Uani 1 1 d . . . . .
H37 H 0.2904 0.3589 0.8407 0.054 Uiso 1 1 calc R . . . .
C18 C 0.8790(3) 0.4028(3) 0.6140(3) 0.0358(7) Uani 1 1 d . . . . .
H18A H 0.9403 0.3623 0.5498 0.043 Uiso 1 1 calc R . . . .
H18B H 0.8585 0.4946 0.5820 0.043 Uiso 1 1 calc R . . . .
C27 C 0.5104(3) 0.6854(3) 0.5533(3) 0.0339(7) Uani 1 1 d . . . . .
H27 H 0.4508 0.6521 0.6136 0.041 Uiso 1 1 calc R . . . .
C28 C 0.4846(3) 0.8136(3) 0.5183(3) 0.0391(7) Uani 1 1 d . . . . .
H28 H 0.4077 0.8674 0.5550 0.047 Uiso 1 1 calc R . . . .
C38 C 0.4545(3) 0.3865(3) 0.8095(3) 0.0391(7) Uani 1 1 d . . . . .
H38 H 0.5066 0.3182 0.7742 0.047 Uiso 1 1 calc R . . . .
C29 C 0.5697(4) 0.8638(3) 0.4305(3) 0.0436(8) Uani 1 1 d . . . . .
H29 H 0.5515 0.9519 0.4061 0.052 Uiso 1 1 calc R . . . .
C31 C 0.7085(3) 0.6562(3) 0.4131(3) 0.0364(7) Uani 1 1 d . . . . .
H31 H 0.7859 0.6027 0.3768 0.044 Uiso 1 1 calc R . . . .
C33 C 0.5070(3) 0.4624(3) 0.8209(3) 0.0343(7) Uani 1 1 d . . . . .
C12 C 0.8457(4) 0.0637(4) 0.4648(5) 0.0550(9) Uani 1 1 d . U . . .
C2 C 0.6871(4) 0.1398(5) 0.9544(4) 0.0567(10) Uani 1 1 d . U . . .
H2 H 0.7003 0.2150 0.9428 0.068 Uiso 1 1 calc R . . . .
C21 C 1.0288(4) 0.1952(5) 0.8776(4) 0.0569(11) Uani 1 1 d . . . . .
H21 H 1.0531 0.1093 0.9202 0.068 Uiso 1 1 calc R . . . .
C16 C 0.8974(3) 0.2483(4) 0.3960(3) 0.0429(8) Uani 1 1 d . . . . .
H16 H 0.8992 0.3200 0.4083 0.051 Uiso 1 1 calc R . . . .
C15 C 0.9497(4) 0.2251(5) 0.2828(4) 0.0588(10) Uani 1 1 d . U . . .
C34 C 0.4291(4) 0.5615(4) 0.8740(4) 0.0476(9) Uani 1 1 d . . . . .
H34 H 0.4638 0.6140 0.8822 0.057 Uiso 1 1 calc R . . . .
C30 C 0.6823(4) 0.7843(4) 0.3780(3) 0.0443(8) Uani 1 1 d . . . . .
H30 H 0.7416 0.8182 0.3176 0.053 Uiso 1 1 calc R . . . .
C24 C 0.9567(3) 0.4447(4) 0.7558(4) 0.0473(9) Uani 1 1 d . . . . .
H24 H 0.9307 0.5312 0.7154 0.057 Uiso 1 1 calc R . . . .
C6 C 0.6876(4) -0.0171(4) 0.8813(5) 0.0625(10) Uani 1 1 d . U . . .
C11 C 0.7975(4) -0.0254(4) 0.5659(5) 0.0583(9) Uani 1 1 d . U . . .
C36 C 0.2502(4) 0.5083(5) 0.9030(4) 0.0551(11) Uani 1 1 d . . . . .
H36 H 0.1627 0.5238 0.9315 0.066 Uiso 1 1 calc R . . . .
C7 C 0.7155(4) -0.0665(4) 0.7780(5) 0.0618(10) Uani 1 1 d . U . . .
C22 C 1.0499(4) 0.2797(6) 0.9106(4) 0.0637(14) Uani 1 1 d . . . . .
H22 H 1.0897 0.2521 0.9751 0.076 Uiso 1 1 calc R . . . .
C35 C 0.3022(4) 0.5841(5) 0.9149(4) 0.0623(12) Uani 1 1 d . . . . .
H35 H 0.2501 0.6517 0.9512 0.075 Uiso 1 1 calc R . . . .
C23 C 1.0133(4) 0.4035(6) 0.8506(4) 0.0585(13) Uani 1 1 d . . . . .
H23 H 1.0270 0.4619 0.8742 0.070 Uiso 1 1 calc R . . . .
C13 C 0.8941(4) 0.0447(5) 0.3507(5) 0.0629(10) Uani 1 1 d . U . . .
H13 H 0.8908 -0.0253 0.3364 0.075 Uiso 1 1 calc R . . . .
C3 C 0.6490(5) 0.0726(6) 1.0698(5) 0.0705(12) Uani 1 1 d . U . . .
C10 C 0.7824(5) -0.1323(4) 0.5631(6) 0.0709(11) Uani 1 1 d . U . . .
H10 H 0.8075 -0.1552 0.4897 0.085 Uiso 1 1 calc R . . . .
C5 C 0.6477(5) -0.0810(5) 0.9971(5) 0.0713(12) Uani 1 1 d . U . . .
H5 H 0.6345 -0.1566 1.0103 0.086 Uiso 1 1 calc R . . . .
C9 C 0.7322(6) -0.2021(4) 0.6653(7) 0.0781(12) Uani 1 1 d . U . . .
H9 H 0.7197 -0.2728 0.6626 0.094 Uiso 1 1 calc R . . . .
C8 C 0.6984(5) -0.1729(4) 0.7744(7) 0.0767(12) Uani 1 1 d . U . . .
H8 H 0.6643 -0.2238 0.8459 0.092 Uiso 1 1 calc R . . . .
C14 C 0.9471(4) 0.1245(5) 0.2574(5) 0.0663(11) Uani 1 1 d . U . . .
H14 H 0.9804 0.1112 0.1791 0.080 Uiso 1 1 calc R . . . .
C4 C 0.6273(5) -0.0378(5) 1.0916(5) 0.0751(13) Uani 1 1 d . U . . .
H4 H 0.5988 -0.0813 1.1710 0.090 Uiso 1 1 calc R . . . .


_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 P1 2.2200(8) . ?
Pt1 N7 2.033(3) . ?
Pt1 C1 2.075(4) . ?
Pt1 C17 2.085(4) . ?
P1 C32 1.842(3) . ?
P1 C25 1.839(3) . ?
P1 C18 1.844(3) . ?
F15 C15 1.341(6) . ?
F3 C3 1.353(7) . ?
N7 C11 1.357(7) . ?
N7 C7 1.345(6) . ?
C26 C25 1.508(4) . ?
C26 C27 1.395(4) . ?
C26 C31 1.393(4) . ?
C19 C20 1.386(6) . ?
C19 C18 1.505(5) . ?
C19 C24 1.399(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.513(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C1 C2 1.396(7) . ?
C1 C6 1.419(6) . ?
C17 C12 1.424(5) . ?
C17 C16 1.395(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.386(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.395(5) . ?
C37 C36 1.382(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C27 H27 0.9500 . ?
C27 C28 1.383(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.378(5) . ?
C38 H38 0.9500 . ?
C38 C33 1.392(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.391(6) . ?
C31 H31 0.9500 . ?
C31 C30 1.381(5) . ?
C33 C34 1.395(5) . ?
C12 C11 1.460(8) . ?
C12 C13 1.383(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.388(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.375(8) . ?
C16 H16 0.9500 . ?
C16 C15 1.391(6) . ?
C15 C14 1.385(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.379(6) . ?
C30 H30 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.381(7) . ?
C6 C7 1.473(8) . ?
C6 C5 1.382(7) . ?
C11 C10 1.405(6) . ?
C36 H36 0.9500 . ?
C36 C35 1.390(7) . ?
C7 C8 1.416(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.365(8) . ?
C35 H35 0.9500 . ?
C23 H23 0.9500 . ?
C13 H13 0.9500 . ?
C13 C14 1.377(8) . ?
C3 C4 1.395(9) . ?
C10 H10 0.9500 . ?
C10 C9 1.348(9) . ?
C5 H5 0.9500 . ?
C5 C4 1.348(9) . ?
C9 H9 0.9500 . ?
C9 C8 1.390(10) . ?
C8 H8 0.9500 . ?
C14 H14 0.9500 . ?
C4 H4 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
N7 Pt1 P1 168.72(10) . . ?
N7 Pt1 C1 80.05(17) . . ?
N7 Pt1 C17 79.84(16) . . ?
C1 Pt1 P1 103.82(12) . . ?
C1 Pt1 C17 159.19(17) . . ?
C17 Pt1 P1 96.93(11) . . ?
C32 P1 Pt1 123.20(12) . . ?
C32 P1 C18 99.32(16) . . ?
C25 P1 Pt1 108.02(11) . . ?
C25 P1 C32 102.44(16) . . ?
C25 P1 C18 106.92(16) . . ?
C18 P1 Pt1 115.32(12) . . ?
C11 N7 Pt1 117.2(3) . . ?
C7 N7 Pt1 117.5(3) . . ?
C7 N7 C11 124.6(4) . . ?
C27 C26 C25 121.4(3) . . ?
C31 C26 C25 120.4(3) . . ?
C31 C26 C27 118.2(3) . . ?
C20 C19 C18 120.9(3) . . ?
C20 C19 C24 118.6(4) . . ?
C24 C19 C18 120.5(3) . . ?
P1 C32 H32A 107.8 . . ?
P1 C32 H32B 107.8 . . ?
H32A C32 H32B 107.2 . . ?
C33 C32 P1 117.9(2) . . ?
C33 C32 H32A 107.8 . . ?
C33 C32 H32B 107.8 . . ?
P1 C25 H25A 107.8 . . ?
P1 C25 H25B 107.8 . . ?
C26 C25 P1 118.1(2) . . ?
C26 C25 H25A 107.8 . . ?
C26 C25 H25B 107.8 . . ?
H25A C25 H25B 107.1 . . ?
C2 C1 Pt1 132.3(3) . . ?
C2 C1 C6 115.8(4) . . ?
C6 C1 Pt1 111.8(4) . . ?
C12 C17 Pt1 112.2(3) . . ?
C16 C17 Pt1 132.8(3) . . ?
C16 C17 C12 114.8(4) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.2(4) . . ?
C21 C20 H20 119.9 . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.0(4) . . ?
P1 C18 H18A 109.1 . . ?
P1 C18 H18B 109.1 . . ?
C19 C18 P1 112.3(2) . . ?
C19 C18 H18A 109.1 . . ?
C19 C18 H18B 109.1 . . ?
H18A C18 H18B 107.9 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.9(3) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.4(3) . . ?
C29 C28 H28 119.8 . . ?
C37 C38 H38 119.8 . . ?
C33 C38 C37 120.4(4) . . ?
C33 C38 H38 119.8 . . ?
C28 C29 H29 120.3 . . ?
C28 C29 C30 119.4(3) . . ?
C30 C29 H29 120.3 . . ?
C26 C31 H31 119.6 . . ?
C30 C31 C26 120.8(3) . . ?
C30 C31 H31 119.6 . . ?
C38 C33 C32 123.5(3) . . ?
C38 C33 C34 118.9(3) . . ?
C34 C33 C32 117.6(3) . . ?
C17 C12 C11 115.8(4) . . ?
C13 C12 C17 122.3(5) . . ?
C13 C12 C11 121.8(4) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.6(5) . . ?
C3 C2 H2 119.7 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.5(5) . . ?
C22 C21 H21 119.8 . . ?
C17 C16 H16 119.0 . . ?
C15 C16 C17 122.0(4) . . ?
C15 C16 H16 119.0 . . ?
F15 C15 C16 119.5(4) . . ?
F15 C15 C14 118.4(4) . . ?
C14 C15 C16 122.1(5) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 C33 120.7(4) . . ?
C35 C34 H34 119.6 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.3(3) . . ?
C31 C30 H30 119.9 . . ?
C19 C24 H24 119.9 . . ?
C23 C24 C19 120.2(4) . . ?
C23 C24 H24 119.9 . . ?
C1 C6 C7 116.3(4) . . ?
C5 C6 C1 122.3(6) . . ?
C5 C6 C7 121.4(5) . . ?
N7 C11 C12 114.4(3) . . ?
N7 C11 C10 118.1(5) . . ?
C10 C11 C12 127.5(5) . . ?
C37 C36 H36 120.1 . . ?
C37 C36 C35 119.9(4) . . ?
C35 C36 H36 120.1 . . ?
N7 C7 C6 113.5(4) . . ?
N7 C7 C8 117.1(6) . . ?
C8 C7 C6 129.3(5) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(4) . . ?
C23 C22 H22 120.1 . . ?
C34 C35 C36 120.2(4) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C24 C23 H23 119.6 . . ?
C22 C23 C24 120.7(4) . . ?
C22 C23 H23 119.6 . . ?
C12 C13 H13 119.2 . . ?
C14 C13 C12 121.6(4) . . ?
C14 C13 H13 119.2 . . ?
F3 C3 C2 118.1(5) . . ?
F3 C3 C4 120.0(5) . . ?
C2 C3 C4 121.9(6) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 C11 119.5(6) . . ?
C9 C10 H10 120.3 . . ?
C6 C5 H5 119.5 . . ?
C4 C5 C6 121.1(5) . . ?
C4 C5 H5 119.5 . . ?
C10 C9 H9 119.3 . . ?
C10 C9 C8 121.5(5) . . ?
C8 C9 H9 119.3 . . ?
C7 C8 H8 120.4 . . ?
C9 C8 C7 119.2(6) . . ?
C9 C8 H8 120.4 . . ?
C15 C14 H14 121.5 . . ?
C13 C14 C15 117.0(4) . . ?
C13 C14 H14 121.5 . . ?
C3 C4 H4 120.9 . . ?
C5 C4 C3 118.3(5) . . ?
C5 C4 H4 120.9 . . ?

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 P1 C32 C33 -63.9(3) . . . . ?
Pt1 P1 C25 C26 -177.2(2) . . . . ?
Pt1 P1 C18 C19 -77.4(2) . . . . ?
Pt1 N7 C11 C12 8.3(4) . . . . ?
Pt1 N7 C11 C10 -172.1(3) . . . . ?
Pt1 N7 C7 C6 -9.6(5) . . . . ?
Pt1 N7 C7 C8 171.0(3) . . . . ?
Pt1 C1 C2 C3 -178.3(4) . . . . ?
Pt1 C1 C6 C7 1.2(5) . . . . ?
Pt1 C1 C6 C5 -179.9(4) . . . . ?
Pt1 C17 C12 C11 -0.7(4) . . . . ?
Pt1 C17 C12 C13 -179.2(3) . . . . ?
Pt1 C17 C16 C15 175.9(3) . . . . ?
P1 C32 C33 C38 24.6(5) . . . . ?
P1 C32 C33 C34 -154.4(3) . . . . ?
F15 C15 C14 C13 177.5(4) . . . . ?
F3 C3 C4 C5 -178.6(5) . . . . ?
N7 C11 C10 C9 2.7(7) . . . . ?
N7 C7 C8 C9 -0.5(7) . . . . ?
C26 C27 C28 C29 0.3(6) . . . . ?
C26 C31 C30 C29 0.2(6) . . . . ?
C19 C20 C21 C22 0.4(6) . . . . ?
C19 C24 C23 C22 -0.8(5) . . . . ?
C32 P1 C25 C26 51.4(3) . . . . ?
C32 P1 C18 C19 56.3(3) . . . . ?
C32 C33 C34 C35 179.1(4) . . . . ?
C25 P1 C32 C33 57.6(3) . . . . ?
C25 P1 C18 C19 162.5(2) . . . . ?
C25 C26 C27 C28 -177.3(3) . . . . ?
C25 C26 C31 C30 177.1(3) . . . . ?
C1 C2 C3 F3 179.9(4) . . . . ?
C1 C2 C3 C4 -0.6(8) . . . . ?
C1 C6 C7 N7 5.3(6) . . . . ?
C1 C6 C7 C8 -175.4(4) . . . . ?
C1 C6 C5 C4 -1.5(7) . . . . ?
C17 C12 C11 N7 -4.8(5) . . . . ?
C17 C12 C11 C10 175.7(4) . . . . ?
C17 C12 C13 C14 2.7(7) . . . . ?
C17 C16 C15 F15 -177.8(4) . . . . ?
C17 C16 C15 C14 2.0(7) . . . . ?
C20 C19 C18 P1 57.3(4) . . . . ?
C20 C19 C24 C23 2.2(5) . . . . ?
C20 C21 C22 C23 1.0(6) . . . . ?
C37 C38 C33 C32 -178.4(3) . . . . ?
C37 C38 C33 C34 0.6(6) . . . . ?
C37 C36 C35 C34 -0.2(8) . . . . ?
C18 P1 C32 C33 167.4(3) . . . . ?
C18 P1 C25 C26 -52.5(3) . . . . ?
C18 C19 C20 C21 178.6(3) . . . . ?
C18 C19 C24 C23 -178.4(3) . . . . ?
C27 C26 C25 P1 -93.4(4) . . . . ?
C27 C26 C31 C30 -0.3(5) . . . . ?
C27 C28 C29 C30 -0.5(6) . . . . ?
C28 C29 C30 C31 0.2(6) . . . . ?
C38 C37 C36 C35 0.8(7) . . . . ?
C38 C33 C34 C35 0.1(6) . . . . ?
C31 C26 C25 P1 89.3(4) . . . . ?
C31 C26 C27 C28 0.1(5) . . . . ?
C33 C34 C35 C36 -0.2(7) . . . . ?
C12 C17 C16 C15 0.6(5) . . . . ?
C12 C11 C10 C9 -177.8(4) . . . . ?
C12 C13 C14 C15 -0.1(7) . . . . ?
C2 C1 C6 C7 -176.2(4) . . . . ?
C2 C1 C6 C5 2.7(6) . . . . ?
C2 C3 C4 C5 1.9(8) . . . . ?
C21 C22 C23 C24 -0.8(6) . . . . ?
C16 C17 C12 C11 175.5(3) . . . . ?
C16 C17 C12 C13 -2.9(6) . . . . ?
C16 C15 C14 C13 -2.3(7) . . . . ?
C24 C19 C20 C21 -2.0(5) . . . . ?
C24 C19 C18 P1 -122.1(3) . . . . ?
C6 C1 C2 C3 -1.6(7) . . . . ?
C6 C7 C8 C9 -179.8(5) . . . . ?
C6 C5 C4 C3 -0.8(8) . . . . ?
C11 N7 C7 C6 -179.3(4) . . . . ?
C11 N7 C7 C8 1.3(6) . . . . ?
C11 C12 C13 C14 -175.6(4) . . . . ?
C11 C10 C9 C8 -2.0(8) . . . . ?
C36 C37 C38 C33 -1.0(6) . . . . ?
C7 N7 C11 C12 178.0(4) . . . . ?
C7 N7 C11 C10 -2.4(6) . . . . ?
C7 C6 C5 C4 177.3(5) . . . . ?
C13 C12 C11 N7 173.7(4) . . . . ?
C13 C12 C11 C10 -5.9(7) . . . . ?
C10 C9 C8 C7 0.9(8) . . . . ?
C5 C6 C7 N7 -173.6(4) . . . . ?
C5 C6 C7 C8 5.7(7) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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 4.531
_oxdiff_exptl_absorpt_empirical_full_min 0.514
####################################################################### 
# 
# 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_ps29new
_database_code_depnum_ccdc_archive 'CCDC 1540379'
_audit_update_record             
;
2017-03-27 deposited with the CCDC.
2017-06-05 downloaded from the CCDC.
;
_audit_creation_date             2016-03-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H29 Cl F2 N P Pt'
_chemical_formula_sum            'C38 H29 Cl F2 N P Pt'
_chemical_formula_weight         799.13
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C38 H30 N2 P F2 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'
P P 0.2955 0.4335 '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                   11.3911(3)
_cell_length_b                   11.7933(4)
_cell_length_c                   12.8630(3)
_cell_angle_alpha                100.845(2)
_cell_angle_beta                 97.595(2)
_cell_angle_gamma                117.163(3)
_cell_volume                     1462.18(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15973
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      77.9160
_cell_measurement_theta_min      3.5800
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.686
_exptl_absorpt_correction_T_max  0.779
_exptl_absorpt_correction_T_min  0.364
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             784
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
6 -3 -6 0.0115
-5 3 6 0.0164
4 -3 6 0.0397
-3 6 -5 0.0476
-4 3 -6 0.0536
3 -7 5 0.0634
-3 -2 -4 0.0745
3 2 4 0.0574
5 -3 -6 0.0131
-7 0 2 0.0578
-7 5 -1 0.0372

_exptl_crystal_size_max          0.185
_exptl_crystal_size_mid          0.095
_exptl_crystal_size_min          0.03
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
6.0024 -3.0079 -6.0039 0.9412 -0.4415 -0.0471
-5.0025 3.0072 6.0033 -0.9264 0.2899 0.0096
3.9970 -2.9986 5.9980 -0.3182 -0.4432 -0.7960
-2.9979 5.9985 -4.9985 -0.0071 -0.0495 0.9235
-3.9970 2.9986 -5.9980 0.3182 0.4432 0.7960
2.9980 -6.9984 4.9985 0.0862 0.1547 -1.0014
-2.9976 -2.0005 -3.9984 0.5239 0.7669 0.2315
2.9976 2.0005 3.9984 -0.5239 -0.7669 -0.2315
5.0025 -3.0072 -6.0033 0.9264 -0.2899 -0.0096
-7.0002 0.0061 2.0043 -0.3085 1.0104 0.1256
-6.9992 5.0039 -0.9959 -0.3970 0.5605 0.7212

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            27557
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.201
_diffrn_reflns_theta_min         3.613
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.2833
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     19.00  44.00   1.00    3.50    --   54.00  84.00   9.69   25
  2  ω     33.00  60.00   1.00    3.50    --   66.00  77.00  37.51   27
  3  ω     38.00  76.00   1.00    3.50    --   70.00  79.00   0.87   38
  4  ω     43.00  69.00   1.00    3.50    --   70.00  77.00 -44.73   26
  5  ω     41.00  66.00   1.00    3.50    --   74.00  79.00 -71.39   25
  6  ω     31.00  59.00   1.00    3.50    --   62.00  79.00 -99.48   28
  7  ω     41.00  72.00   1.00    3.50    --   74.00  79.00-136.22   31
  8  ω    102.00 146.00   1.00    3.50    --   70.00  79.00-178.20   44
  9  ω    124.00 156.00   1.00   14.00    --  114.00  77.00 -90.00   32
 10  ω    124.00 177.00   1.00   14.00    --  114.00  77.00-150.00   53
 11  ω    122.00 178.00   1.00   14.00    --  114.00  77.00   0.00   56
 12  ω    133.00 178.00   1.00   14.00    --  114.00  77.00  30.00   45
 13  ω    123.00 149.00   1.00   14.00    --  114.00  61.00  90.00   26
 14  ω    121.00 170.00   1.00   14.00    --  114.00  77.00 120.00   49
 15  ω    117.00 148.00   1.00    3.50    --   74.00  78.00  43.11   31
 16  ω    122.00 177.00   1.00   14.00    --  114.00  77.00  60.00   55
 17  ω    111.00 178.00   1.00   14.00    --  114.00  77.00  90.00   67
 18  ω     90.00 141.00   1.00    3.50    --   70.00  79.00 114.05   51
 19  ω     86.00 148.00   1.00   14.00    --  114.00  61.00  30.00   62
 20  ω     88.00 115.00   1.00   14.00    --  114.00  61.00   0.00   27
 21  ω     87.00 114.00   1.00   14.00    --  114.00  61.00 -30.00   27
 22  ω     81.00 112.00   1.00   14.00    --  114.00  77.00 -90.00   31
 23  ω     85.00 120.00   1.00   14.00    --  114.00  61.00-120.00   35
 24  ω     85.00 111.00   1.00   14.00    --  114.00  61.00-150.00   26
 25  ω     85.00 113.00   1.00   14.00    --  114.00  61.00-180.00   28
 26  ω     81.00 177.00   1.00   14.00    --  114.00  77.00-120.00   96
 27  ω     85.00 130.00   1.00   14.00    --  114.00  61.00 -60.00   45
 28  ω     81.00 107.00   1.00   14.00    --  114.00  77.00-103.00   26
 29  ω     81.00 118.00   1.00   14.00    --  114.00  77.00-150.00   37
 30  ω     81.00 172.00   1.00   14.00    --  114.00  77.00-180.00   91
 31  ω     81.00 177.00   1.00   14.00    --  114.00  77.00 -30.00   96
 32  ω     86.00 113.00   1.00   14.00    --  114.00  61.00 150.00   27
 33  ω     85.00 111.00   1.00   14.00    --  114.00  61.00 120.00   26
 34  ω     86.00 115.00   1.00   14.00    --  114.00  61.00  90.00   29
 35  ω     85.00 130.00   1.00   14.00    --  114.00  61.00  60.00   45
 36  ω     82.00 177.00   1.00   14.00    --  114.00  77.00 150.00   95
 37  ω     81.00 107.00   1.00   14.00    --  114.00  77.00  30.00   26
 38  ω     81.00 114.00   1.00   14.00    --  114.00  77.00   0.00   33
 39  ω     82.00 172.00   1.00   14.00    --  114.00  77.00 -60.00   90
 40  ω     81.00 118.00   1.00   14.00    --  114.00  77.00 120.00   37
 41  ω     81.00 107.00   1.00   14.00    --  114.00  77.00  60.00   26
 42  ω     82.00 108.00   1.00   14.00    --  114.00  77.00  90.00   26
 43  ω     42.00 114.00   1.00    3.50    --   74.00  78.00  43.11   72
 44  ω     37.00  76.00   1.00    3.50    --   70.00  79.00 114.05   39
 45  ω     34.00  60.00   1.00    3.50    --   66.00  79.00  81.94   26
 46  ω     19.00  44.00   1.00    3.50    --   54.00  84.00 166.25   25
 47  ω      8.00  33.00   1.00    3.50    --   46.00  91.00 118.47   25
 48  ω      3.00  28.00   1.00    3.50    --   41.71  95.00 -26.93   25
 49  ω     19.00  45.00   1.00    3.50    --   54.00  84.00-133.42   26
 50  ω     37.00  65.00   1.00    3.50    --   70.00  79.00-178.20   28
 51  ω      6.00  31.00   1.00    3.50    --   42.00  88.00-170.83   25
 52  ω    -51.00  31.00   1.00    3.50    --  -41.71  57.00-150.00   82
 53  ω    -91.00  -6.00   1.00    3.50    --  -41.71 125.00  60.00   85
 54  ω   -109.00 -17.00   1.00    3.50    --  -41.71 -38.00 -90.00   92
 55  ω    114.00 144.00   1.00   14.00    --  114.00 -77.00-150.00   30
 56  ω     55.00 109.00   1.00   14.00    --  114.00 -95.00   0.00   54
 57  ω     55.00 116.00   1.00   14.00    --  114.00-111.00 120.00   61
 58  ω     49.00  91.00   1.00   14.00    --  114.00 -95.00  60.00   42
 59  ω     44.00 115.00   1.00   14.00    --  114.00-111.00 -60.00   71
 60  ω     53.00  91.00   1.00   14.00    --  114.00 -77.00-150.00   38
 61  ω     44.00 106.00   1.00   14.00    --  114.00 -95.00-180.00   62
 62  ω     35.00  86.00   1.00    3.50    --   41.71-125.00   0.00   51
 63  ω     37.00  88.00   1.00   14.00    --  114.00 -95.00 150.00   51
 64  ω    -99.00 -17.00   1.00    3.50    --  -41.71 -57.00-180.00   82
 65  ω   -115.00 -14.00   1.00    3.50    --  -41.71 -57.00  90.00  101
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0146788000
_diffrn_orient_matrix_UB_12      -0.0791844000
_diffrn_orient_matrix_UB_13      -0.1024146000
_diffrn_orient_matrix_UB_21      -0.1517066000
_diffrn_orient_matrix_UB_22      -0.1052457000
_diffrn_orient_matrix_UB_23      -0.0254108000
_diffrn_orient_matrix_UB_31      -0.0375596000
_diffrn_orient_matrix_UB_32      0.0779062000
_diffrn_orient_matrix_UB_33      -0.0687286000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5617
_reflns_number_total             6188
_reflns_odcompleteness_completeness 100.00
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6188
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0257
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0316P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0600
_refine_ls_wR_factor_ref         0.0619
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C25(H25A,H25B), C32(H32A,H32B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C16(H16), C21(H21), C22(H22), C23(H23), C24(H24), C27(H27), C28(H28), C29(H29),
  C30(H30), C31(H31), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.75620(2) 0.41880(2) 0.26100(2) 0.01594(5) Uani 1 1 d . . . . .
Cl1 Cl 0.99076(8) 0.59552(8) 0.34621(7) 0.02395(16) Uani 1 1 d . . . . .
P1 P 0.78481(8) 0.25155(8) 0.29748(6) 0.01723(16) Uani 1 1 d . . . . .
C1 C 0.7970(3) 0.3984(4) 0.1056(3) 0.0223(7) Uani 1 1 d . . . . .
C2 C 0.8571(4) 0.3318(4) 0.0552(3) 0.0253(7) Uani 1 1 d . . . . .
H2 H 0.8873 0.2839 0.0924 0.030 Uiso 1 1 calc R . . . .
C3 C 0.8732(4) 0.3349(4) -0.0499(3) 0.0299(8) Uani 1 1 d . . . . .
F3 F 0.9342(3) 0.2689(2) -0.0944(2) 0.0379(6) Uani 1 1 d . . . . .
C4 C 0.8335(4) 0.4031(4) -0.1084(3) 0.0337(9) Uani 1 1 d . . . . .
H4 H 0.8450 0.4023 -0.1803 0.040 Uiso 1 1 calc R . . . .
C5 C 0.7764(4) 0.4725(4) -0.0590(3) 0.0294(8) Uani 1 1 d . . . . .
H5 H 0.7487 0.5214 -0.0971 0.035 Uiso 1 1 calc R . . . .
C6 C 0.7586(3) 0.4721(4) 0.0472(3) 0.0231(7) Uani 1 1 d . . . . .
C7 C 0.7053(4) 0.5510(4) 0.1038(3) 0.0246(7) Uani 1 1 d . . . . .
N7 N 0.7052(3) 0.5466(3) 0.2079(2) 0.0200(5) Uani 1 1 d . . . . .
C8 C 0.6569(4) 0.6271(4) 0.0621(3) 0.0325(8) Uani 1 1 d . . . . .
H8 H 0.6591 0.6346 -0.0099 0.039 Uiso 1 1 calc R . . . .
C9 C 0.6061(4) 0.6908(4) 0.1272(4) 0.0346(9) Uani 1 1 d . . . . .
H9 H 0.5715 0.7414 0.0990 0.042 Uiso 1 1 calc R . . . .
C10 C 0.6046(4) 0.6825(4) 0.2332(3) 0.0309(8) Uani 1 1 d . . . . .
H10 H 0.5682 0.7261 0.2771 0.037 Uiso 1 1 calc R . . . .
C11 C 0.6575(3) 0.6093(3) 0.2744(3) 0.0216(7) Uani 1 1 d . . . . .
C12 C 0.6659(3) 0.5872(3) 0.3828(3) 0.0222(7) Uani 1 1 d . . . . .
C13 C 0.6407(4) 0.6605(4) 0.4670(3) 0.0261(7) Uani 1 1 d . . . . .
H13 H 0.6133 0.7223 0.4531 0.031 Uiso 1 1 calc R . . . .
C14 C 0.6557(4) 0.6429(4) 0.5710(3) 0.0269(8) Uani 1 1 d . . . . .
H14 H 0.6383 0.6911 0.6291 0.032 Uiso 1 1 calc R . . . .
C15 C 0.6962(4) 0.5534(4) 0.5861(3) 0.0241(7) Uani 1 1 d . . . . .
C16 C 0.7248(3) 0.4808(3) 0.5058(3) 0.0208(7) Uani 1 1 d . . . . .
H16 H 0.7554 0.4221 0.5224 0.025 Uiso 1 1 calc R . . . .
C17 C 0.7082(3) 0.4948(3) 0.3999(3) 0.0186(6) Uani 1 1 d . . . . .
F17 F 0.7125(3) 0.5355(2) 0.68841(18) 0.0328(5) Uani 1 1 d . . . . .
C18 C 0.6679(3) 0.1153(3) 0.1770(3) 0.0203(6) Uani 1 1 d . . . . .
H18A H 0.7095 0.1201 0.1139 0.024 Uiso 1 1 calc R . . . .
H18B H 0.6422 0.0284 0.1912 0.024 Uiso 1 1 calc R . . . .
C19 C 0.5456(3) 0.1344(3) 0.1556(3) 0.0183(6) Uani 1 1 d . . . . .
C20 C 0.5622(3) 0.2628(3) 0.1890(2) 0.0171(6) Uani 1 1 d . . . . .
C21 C 0.4489(3) 0.2794(3) 0.1745(3) 0.0205(6) Uani 1 1 d . . . . .
H21 H 0.4597 0.3659 0.1953 0.025 Uiso 1 1 calc R . . . .
C22 C 0.3184(4) 0.1689(4) 0.1291(3) 0.0251(7) Uani 1 1 d . . . . .
H22 H 0.2409 0.1806 0.1207 0.030 Uiso 1 1 calc R . . . .
C23 C 0.3020(4) 0.0426(4) 0.0965(3) 0.0250(7) Uani 1 1 d . . . . .
H23 H 0.2134 -0.0320 0.0654 0.030 Uiso 1 1 calc R . . . .
C24 C 0.4149(4) 0.0255(3) 0.1092(3) 0.0222(7) Uani 1 1 d . . . . .
H24 H 0.4034 -0.0611 0.0862 0.027 Uiso 1 1 calc R . . . .
C25 C 0.7311(4) 0.1839(3) 0.4115(3) 0.0225(7) Uani 1 1 d . . . . .
H25A H 0.7809 0.1371 0.4295 0.027 Uiso 1 1 calc R . . . .
H25B H 0.7580 0.2588 0.4765 0.027 Uiso 1 1 calc R . . . .
C26 C 0.5799(3) 0.0892(3) 0.3892(3) 0.0196(6) Uani 1 1 d . . . . .
C27 C 0.4851(4) 0.1325(3) 0.3914(3) 0.0221(7) Uani 1 1 d . . . . .
H27 H 0.5152 0.2249 0.4099 0.026 Uiso 1 1 calc R . . . .
C28 C 0.3460(4) 0.0415(4) 0.3669(3) 0.0249(7) Uani 1 1 d . . . . .
H28 H 0.2820 0.0720 0.3681 0.030 Uiso 1 1 calc R . . . .
C29 C 0.3016(4) -0.0937(4) 0.3407(3) 0.0266(7) Uani 1 1 d . . . . .
H29 H 0.2069 -0.1557 0.3229 0.032 Uiso 1 1 calc R . . . .
C30 C 0.3947(4) -0.1385(4) 0.3402(3) 0.0285(8) Uani 1 1 d . . . . .
H30 H 0.3646 -0.2309 0.3236 0.034 Uiso 1 1 calc R . . . .
C31 C 0.5333(4) -0.0465(4) 0.3644(3) 0.0250(7) Uani 1 1 d . . . . .
H31 H 0.5971 -0.0773 0.3639 0.030 Uiso 1 1 calc R . . . .
C32 C 0.9595(3) 0.2800(4) 0.3143(3) 0.0250(7) Uani 1 1 d . . . . .
H32A H 1.0029 0.3319 0.2648 0.030 Uiso 1 1 calc R . . . .
H32B H 1.0121 0.3337 0.3902 0.030 Uiso 1 1 calc R . . . .
C33 C 0.9670(3) 0.1536(4) 0.2908(3) 0.0253(7) Uani 1 1 d . . . . .
C34 C 0.9902(5) 0.1027(5) 0.3748(4) 0.0370(9) Uani 1 1 d . . . . .
H34 H 1.0046 0.1495 0.4482 0.044 Uiso 1 1 calc R . . . .
C35 C 0.9928(6) -0.0160(6) 0.3533(4) 0.0443(11) Uani 1 1 d . . . . .
H35 H 1.0081 -0.0495 0.4122 0.053 Uiso 1 1 calc R . . . .
C36 C 0.9736(4) -0.0860(4) 0.2479(4) 0.0360(9) Uani 1 1 d . . . . .
H36 H 0.9741 -0.1678 0.2337 0.043 Uiso 1 1 calc R . . . .
C37 C 0.9536(4) -0.0347(5) 0.1638(4) 0.0373(10) Uani 1 1 d . . . . .
H37 H 0.9411 -0.0810 0.0908 0.045 Uiso 1 1 calc R . . . .
C38 C 0.9517(4) 0.0842(5) 0.1850(3) 0.0325(8) Uani 1 1 d . . . . .
H38 H 0.9397 0.1190 0.1261 0.039 Uiso 1 1 calc R . . . .


_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 2.4425(8) . ?
Pt1 P1 2.2609(9) . ?
Pt1 C1 2.106(3) . ?
Pt1 N7 2.039(3) . ?
Pt1 C17 2.097(3) . ?
Pt1 C20 2.057(3) . ?
P1 C18 1.823(3) . ?
P1 C25 1.842(4) . ?
P1 C32 1.836(3) . ?
C1 C2 1.387(5) . ?
C1 C6 1.419(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.393(5) . ?
C3 F3 1.359(5) . ?
C3 C4 1.374(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.378(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.408(5) . ?
C6 C7 1.465(5) . ?
C7 N7 1.350(5) . ?
C7 C8 1.396(6) . ?
N7 C11 1.351(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.374(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.398(6) . ?
C11 C12 1.464(5) . ?
C12 C13 1.399(5) . ?
C12 C17 1.418(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.364(6) . ?
C15 C16 1.384(5) . ?
C15 F17 1.374(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.402(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.508(5) . ?
C19 C20 1.409(5) . ?
C19 C24 1.398(5) . ?
C20 C21 1.385(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.402(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.384(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(5) . ?
C24 H24 0.9500 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.513(5) . ?
C26 C27 1.391(5) . ?
C26 C31 1.391(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.396(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.388(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.385(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.394(5) . ?
C31 H31 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.508(5) . ?
C33 C34 1.382(6) . ?
C33 C38 1.393(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.389(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.379(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.376(7) . ?
C37 H37 0.9500 . ?
C37 C38 1.389(6) . ?
C38 H38 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
P1 Pt1 Cl1 96.45(3) . . ?
C1 Pt1 Cl1 91.42(9) . . ?
C1 Pt1 P1 96.30(11) . . ?
N7 Pt1 Cl1 91.88(8) . . ?
N7 Pt1 P1 170.83(8) . . ?
N7 Pt1 C1 79.61(14) . . ?
N7 Pt1 C17 79.78(13) . . ?
N7 Pt1 C20 90.93(13) . . ?
C17 Pt1 Cl1 86.02(9) . . ?
C17 Pt1 P1 104.57(10) . . ?
C17 Pt1 C1 159.13(15) . . ?
C20 Pt1 Cl1 176.97(10) . . ?
C20 Pt1 P1 80.68(10) . . ?
C20 Pt1 C1 87.96(12) . . ?
C20 Pt1 C17 95.61(12) . . ?
C18 P1 Pt1 100.67(12) . . ?
C18 P1 C25 103.21(16) . . ?
C18 P1 C32 111.99(16) . . ?
C25 P1 Pt1 122.20(12) . . ?
C32 P1 Pt1 114.93(13) . . ?
C32 P1 C25 103.29(17) . . ?
C2 C1 Pt1 131.6(3) . . ?
C2 C1 C6 117.1(3) . . ?
C6 C1 Pt1 111.2(2) . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.2(4) . . ?
C3 C2 H2 119.9 . . ?
F3 C3 C2 117.4(4) . . ?
F3 C3 C4 119.2(3) . . ?
C4 C3 C2 123.3(4) . . ?
C3 C4 H4 121.2 . . ?
C3 C4 C5 117.5(3) . . ?
C5 C4 H4 121.2 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.8(4) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C7 117.1(3) . . ?
C5 C6 C1 121.0(4) . . ?
C5 C6 C7 121.9(4) . . ?
N7 C7 C6 113.7(3) . . ?
N7 C7 C8 118.9(4) . . ?
C8 C7 C6 127.4(4) . . ?
C7 N7 Pt1 117.9(3) . . ?
C7 N7 C11 123.8(3) . . ?
C11 N7 Pt1 117.8(2) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 C7 118.8(4) . . ?
C9 C8 H8 120.6 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.2(4) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 120.5 . . ?
C9 C10 C11 119.0(4) . . ?
C11 C10 H10 120.5 . . ?
N7 C11 C10 118.2(4) . . ?
N7 C11 C12 113.5(3) . . ?
C10 C11 C12 128.2(3) . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 C17 121.9(4) . . ?
C17 C12 C11 117.1(3) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.1(4) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 121.4 . . ?
C15 C14 C13 117.3(3) . . ?
C15 C14 H14 121.4 . . ?
C14 C15 C16 124.6(4) . . ?
C14 C15 F17 118.1(3) . . ?
F17 C15 C16 117.3(3) . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.4(3) . . ?
C17 C16 H16 120.3 . . ?
C12 C17 Pt1 111.4(2) . . ?
C16 C17 Pt1 131.4(3) . . ?
C16 C17 C12 116.7(3) . . ?
P1 C18 H18A 110.9 . . ?
P1 C18 H18B 110.9 . . ?
H18A C18 H18B 108.9 . . ?
C19 C18 P1 104.4(2) . . ?
C19 C18 H18A 110.9 . . ?
C19 C18 H18B 110.9 . . ?
C20 C19 C18 119.6(3) . . ?
C24 C19 C18 120.9(3) . . ?
C24 C19 C20 119.4(3) . . ?
C19 C20 Pt1 117.8(2) . . ?
C21 C20 Pt1 122.6(2) . . ?
C21 C20 C19 119.6(3) . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.3(3) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(3) . . ?
C24 C23 H23 120.1 . . ?
C19 C24 H24 119.7 . . ?
C23 C24 C19 120.7(3) . . ?
C23 C24 H24 119.7 . . ?
P1 C25 H25A 108.6 . . ?
P1 C25 H25B 108.6 . . ?
H25A C25 H25B 107.6 . . ?
C26 C25 P1 114.6(2) . . ?
C26 C25 H25A 108.6 . . ?
C26 C25 H25B 108.6 . . ?
C27 C26 C25 122.6(3) . . ?
C31 C26 C25 119.0(3) . . ?
C31 C26 C27 118.5(3) . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.7(3) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.8(3) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.2(3) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 120.3 . . ?
C29 C30 C31 119.3(4) . . ?
C31 C30 H30 120.3 . . ?
C26 C31 C30 121.4(3) . . ?
C26 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
P1 C32 H32A 108.9 . . ?
P1 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
C33 C32 P1 113.5(2) . . ?
C33 C32 H32A 108.9 . . ?
C33 C32 H32B 108.9 . . ?
C34 C33 C32 120.6(4) . . ?
C34 C33 C38 117.6(4) . . ?
C38 C33 C32 121.8(4) . . ?
C33 C34 H34 119.6 . . ?
C33 C34 C35 120.8(4) . . ?
C35 C34 H34 119.6 . . ?
C34 C35 H35 119.4 . . ?
C36 C35 C34 121.2(5) . . ?
C36 C35 H35 119.4 . . ?
C35 C36 H36 120.8 . . ?
C37 C36 C35 118.5(4) . . ?
C37 C36 H36 120.8 . . ?
C36 C37 H37 119.7 . . ?
C36 C37 C38 120.5(4) . . ?
C38 C37 H37 119.7 . . ?
C33 C38 H38 119.3 . . ?
C37 C38 C33 121.3(4) . . ?
C37 C38 H38 119.3 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C25 H25B Cl1 0.99 2.94 3.651(4) 129.4 2_766
C29 H29 Cl1 0.95 2.95 3.780(4) 147.1 1_445
C36 H36 F3 0.95 2.56 3.266(4) 131.4 2_755

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 P1 C18 C19 -39.7(2) . . . . ?
Pt1 P1 C25 C26 78.5(3) . . . . ?
Pt1 P1 C32 C33 -155.5(2) . . . . ?
Pt1 C1 C2 C3 -179.5(3) . . . . ?
Pt1 C1 C6 C5 -179.8(3) . . . . ?
Pt1 C1 C6 C7 2.6(4) . . . . ?
Pt1 N7 C11 C10 -171.3(3) . . . . ?
Pt1 N7 C11 C12 7.3(4) . . . . ?
Pt1 C20 C21 C22 -177.3(3) . . . . ?
P1 C18 C19 C20 27.4(4) . . . . ?
P1 C18 C19 C24 -148.6(3) . . . . ?
P1 C25 C26 C27 -76.6(4) . . . . ?
P1 C25 C26 C31 102.7(3) . . . . ?
P1 C32 C33 C34 -96.2(4) . . . . ?
P1 C32 C33 C38 84.2(4) . . . . ?
C1 C2 C3 F3 179.3(3) . . . . ?
C1 C2 C3 C4 0.7(6) . . . . ?
C1 C6 C7 N7 2.5(4) . . . . ?
C1 C6 C7 C8 -177.5(3) . . . . ?
C2 C1 C6 C5 2.4(5) . . . . ?
C2 C1 C6 C7 -175.2(3) . . . . ?
C2 C3 C4 C5 0.7(6) . . . . ?
C3 C4 C5 C6 -0.6(6) . . . . ?
F3 C3 C4 C5 -177.8(3) . . . . ?
C4 C5 C6 C1 -1.0(5) . . . . ?
C4 C5 C6 C7 176.5(3) . . . . ?
C5 C6 C7 N7 -175.1(3) . . . . ?
C5 C6 C7 C8 4.9(6) . . . . ?
C6 C1 C2 C3 -2.2(5) . . . . ?
C6 C7 N7 Pt1 -6.8(4) . . . . ?
C6 C7 N7 C11 -178.3(3) . . . . ?
C6 C7 C8 C9 177.7(4) . . . . ?
C7 N7 C11 C10 0.3(5) . . . . ?
C7 N7 C11 C12 178.8(3) . . . . ?
C7 C8 C9 C10 1.2(6) . . . . ?
N7 C7 C8 C9 -2.4(5) . . . . ?
N7 C11 C12 C13 170.1(3) . . . . ?
N7 C11 C12 C17 -6.3(4) . . . . ?
C8 C7 N7 Pt1 173.3(3) . . . . ?
C8 C7 N7 C11 1.7(5) . . . . ?
C8 C9 C10 C11 0.8(6) . . . . ?
C9 C10 C11 N7 -1.5(5) . . . . ?
C9 C10 C11 C12 -179.9(4) . . . . ?
C10 C11 C12 C13 -11.5(6) . . . . ?
C10 C11 C12 C17 172.1(3) . . . . ?
C11 C12 C13 C14 -176.8(3) . . . . ?
C11 C12 C17 Pt1 2.4(4) . . . . ?
C11 C12 C17 C16 175.8(3) . . . . ?
C12 C13 C14 C15 0.5(5) . . . . ?
C13 C12 C17 Pt1 -173.9(3) . . . . ?
C13 C12 C17 C16 -0.5(5) . . . . ?
C13 C14 C15 C16 0.8(5) . . . . ?
C13 C14 C15 F17 179.5(3) . . . . ?
C14 C15 C16 C17 -2.0(5) . . . . ?
C15 C16 C17 Pt1 173.6(3) . . . . ?
C15 C16 C17 C12 1.7(5) . . . . ?
C17 C12 C13 C14 -0.6(5) . . . . ?
F17 C15 C16 C17 179.3(3) . . . . ?
C18 P1 C25 C26 -33.4(3) . . . . ?
C18 P1 C32 C33 -41.4(3) . . . . ?
C18 C19 C20 Pt1 2.1(4) . . . . ?
C18 C19 C20 C21 -176.7(3) . . . . ?
C18 C19 C24 C23 175.6(3) . . . . ?
C19 C20 C21 C22 1.4(5) . . . . ?
C20 C19 C24 C23 -0.4(5) . . . . ?
C20 C21 C22 C23 -1.3(5) . . . . ?
C21 C22 C23 C24 0.3(6) . . . . ?
C22 C23 C24 C19 0.5(5) . . . . ?
C24 C19 C20 Pt1 178.2(2) . . . . ?
C24 C19 C20 C21 -0.6(5) . . . . ?
C25 P1 C18 C19 87.2(2) . . . . ?
C25 P1 C32 C33 69.0(3) . . . . ?
C25 C26 C27 C28 177.9(3) . . . . ?
C25 C26 C31 C30 -178.2(3) . . . . ?
C26 C27 C28 C29 0.5(5) . . . . ?
C27 C26 C31 C30 1.1(5) . . . . ?
C27 C28 C29 C30 0.9(6) . . . . ?
C28 C29 C30 C31 -1.2(6) . . . . ?
C29 C30 C31 C26 0.2(6) . . . . ?
C31 C26 C27 C28 -1.4(5) . . . . ?
C32 P1 C18 C19 -162.3(2) . . . . ?
C32 P1 C25 C26 -150.2(3) . . . . ?
C32 C33 C34 C35 177.9(4) . . . . ?
C32 C33 C38 C37 -177.5(4) . . . . ?
C33 C34 C35 C36 0.6(8) . . . . ?
C34 C33 C38 C37 2.8(6) . . . . ?
C34 C35 C36 C37 1.0(7) . . . . ?
C35 C36 C37 C38 -0.6(7) . . . . ?
C36 C37 C38 C33 -1.3(6) . . . . ?
C38 C33 C34 C35 -2.4(6) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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 1.132
_oxdiff_exptl_absorpt_empirical_full_min 0.908
####################################################################### 
# 
# 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_ps40
_database_code_depnum_ccdc_archive 'CCDC 1540384'
_audit_update_record             
;
2017-03-27 deposited with the CCDC.
2017-06-05 downloaded from the CCDC.
;
_audit_creation_date             2016-10-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '3(C H Cl3), C39 H31 Cl F2 N O P Pt'
_chemical_formula_sum            'C42 H34 Cl10 F2 N O P Pt'
_chemical_formula_weight         1187.26
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C42 H34 N O2 F2 P2 Cl2 Pt'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   23.6952(4)
_cell_length_b                   14.2502(3)
_cell_length_c                   27.6824(5)
_cell_angle_alpha                90
_cell_angle_beta                 103.1991(19)
_cell_angle_gamma                90
_cell_volume                     9100.3(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    19047
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.6650
_cell_measurement_theta_min      2.9150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.749
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4656
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
19 -17 -8 0.1336
-11 9 -28 0.1121
-2 2 38 0.0325
1 0 -38 0.0466
2 3 37 0.0325
-19 -16 10 0.1001
17 17 -9 0.1069
-15 18 6 0.1365

_exptl_crystal_size_max          0.423
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.094
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
19.0029 -17.0042 -7.9936 0.3576 -0.1739 -0.9423
-10.9918 8.9994 -28.0194 0.2991 0.7948 0.5011
-2.0116 2.0035 38.0170 -0.6199 -0.7678 0.1133
1.0116 -0.0028 -38.0172 0.6165 0.7795 -0.0098
1.9889 3.0048 37.0203 -0.5189 -0.8452 0.1385
-19.0038 -16.0110 9.9830 -0.6522 0.3209 -0.6686
17.0034 17.0110 -8.9839 0.6058 -0.3014 0.7292
-15.0021 18.0054 5.9964 -0.2408 0.1177 0.9674

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.890
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            41772
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.890
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.958
_diffrn_reflns_theta_min         2.518
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3046
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.890
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -4.00  26.00   1.00   16.00    --  -14.15 -99.00  60.00   30
  2  ω     39.00  66.00   1.00   16.00    --   15.24 178.00-180.00   27
  3  ω      2.00  88.00   1.00   16.00    --   15.24  37.00 -30.00   86
  4  ω    -58.00  43.00   1.00   16.00    --   15.24 -57.00-180.00  101
  5  ω     -3.00  86.00   1.00   16.00    --   15.28  37.00  60.00   89
  6  ω     -5.00   3.00   1.00   16.00    --   15.28 -99.00 -60.00    8
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0193493000
_diffrn_orient_matrix_UB_12      0.0079766000
_diffrn_orient_matrix_UB_13      -0.0157023000
_diffrn_orient_matrix_UB_21      -0.0231581000
_diffrn_orient_matrix_UB_22      -0.0057252000
_diffrn_orient_matrix_UB_23      -0.0211209000
_diffrn_orient_matrix_UB_31      -0.0058808000
_diffrn_orient_matrix_UB_32      0.0487978000
_diffrn_orient_matrix_UB_33      0.0000975000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10962
_reflns_number_total             12881
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.02
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.092
_refine_diff_density_min         -1.603
_refine_diff_density_rms         0.155
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     557
_refine_ls_number_reflns         12881
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0404
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0433P)²+85.9545P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0951
_refine_ls_wR_factor_ref         0.1033
_refine_special_details          ?
_olex2_refinement_description    
;

One of the benzene rings of a benzyl of the phosphine was modeled as disordered over two positions. 
The occupancy was linked to a free variable which refined to 77:23. The minor component was refined 
isotropically. Both rings were refined with an AFIX 66 restraint. Two of the chloroforms were 
modeled as disordered about the carbon. The occupancy of the disordered components were fixed 
at 75:25. The minor components were refined isotropically. Several SIMU and DFIX restraints were 
used in the refinement of the disordered solvent.

1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C40-Cl5A
 1.75 with sigma of 0.02
 C40-Cl6A
 1.75 with sigma of 0.02
 C40-Cl7A
 1.75 with sigma of 0.02
 C41-Cl0A
 1.75 with sigma of 0.02
 C41-Cl8A
 1.75 with sigma of 0.02
 C41-Cl9A
 1.75 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl5 \\sim Cl5A \\sim Cl7 \\sim Cl6A \\sim Cl6 \\sim Cl7A \\sim C40: within 1.7A
with sigma of 0.01 and sigma for terminal atoms of 0.02
C33A \\sim C38A \\sim C37A \\sim C36A \\sim C35A \\sim C34A: within 1.7A with
sigma of 0.04 and sigma for terminal atoms of 0.08
4. Others
 Sof(C38A)=Sof(H38A)=Sof(C37A)=Sof(H37A)=Sof(C36A)=Sof(H36A)=Sof(C35A)=
 Sof(H35A)=Sof(C34A)=Sof(H34A)=1-FVAR(1)
 Sof(C34)=Sof(H34)=Sof(C35)=Sof(H35)=Sof(C36)=Sof(H36)=Sof(C37)=Sof(H37)=
 Sof(C38)=Sof(H38)=FVAR(1)
 Fixed Sof: H40(0.75) H40A(0.25) Cl5(0.75) Cl6(0.75) Cl7(0.75) Cl5A(0.25)
 Cl6A(0.25) Cl7A(0.25) Cl0A(0.25) Cl8(0.75) Cl8A(0.25) Cl9(0.75) Cl9A(0.25)
 Cl10(0.75) H41(0.75) H41A(0.25)
5.a Ternary CH refined with riding coordinates:
 C40(H40), C40(H40A), C39(H39), C41(H41), C41(H41A)
5.b Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C25(H25A,H25B), C32(H32A,H32B)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C19(H19), C4(H4), C5(H5), C34(H34), C35(H35), C36(H36), C37(H37),
 C38(H38), C38A(H38A), C37A(H37A), C36A(H36A), C35A(H35A), C34A(H34A), C8(H8),
 C20(H20), C21(H21), C9(H9), C22(H22), C10(H10), C27(H27), C28(H28), C29(H29),
 C30(H30), C31(H31), C14(H14), C16(H16)
5.d Fitted hexagon refined as free rotating group:
 C33A(C34,C35,C36,C37,C38)
5.e Idealised Me refined as rotating group:
 C13A(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
C40 C 0.6178(4) 0.5840(8) 0.5095(3) 0.095(3) Uani 1 1 d D U . . .
H40 H 0.6261 0.5867 0.5458 0.114 Uiso 0.75 1 calc R . P A 1
H40A H 0.6158 0.5608 0.5424 0.114 Uiso 0.25 1 calc R . P B 2
Cl5 Cl 0.55699(14) 0.6651(2) 0.48591(11) 0.0799(9) Uani 0.75 1 d . U P C 1
Cl6 Cl 0.58798(14) 0.4708(2) 0.49154(11) 0.0932(11) Uani 0.75 1 d . U P C 1
Cl7 Cl 0.67683(16) 0.6097(4) 0.49307(16) 0.1265(16) Uani 0.75 1 d . U P C 1
Cl5A Cl 0.6596(12) 0.6936(15) 0.5028(10) 0.214(8) Uiso 0.25 1 d D U P C 2
Cl6A Cl 0.6649(4) 0.5171(7) 0.4693(4) 0.087(3) Uiso 0.25 1 d D U P C 2
Cl7A Cl 0.5591(5) 0.6078(10) 0.4683(5) 0.110(3) Uiso 0.25 1 d D U P C 2
Cl0A Cl 0.3906(3) 0.0147(4) 0.5629(2) 0.0459(12) Uiso 0.25 1 d D . P D 2
C1 C 0.61855(17) 0.1647(3) 0.67823(15) 0.0215(8) Uani 1 1 d . . . . .
O1 O 0.60536(13) 0.5458(2) 0.81312(11) 0.0252(6) Uani 1 1 d . . . . .
Pt1 Pt 0.68009(2) 0.18867(2) 0.73793(2) 0.01512(5) Uani 1 1 d . . . . .
P1 P 0.64691(4) 0.47014(8) 0.80775(4) 0.01891(19) Uani 1 1 d . . . . .
C2 C 0.61819(19) 0.1929(3) 0.62948(16) 0.0274(9) Uani 1 1 d . . . . .
H2 H 0.6509 0.2199 0.6220 0.033 Uiso 1 1 calc R . . . .
C19 C 0.58869(18) 0.2542(3) 0.92462(15) 0.0238(8) Uani 1 1 d . . . . .
H19 H 0.6066 0.2157 0.9508 0.029 Uiso 1 1 calc R . . . .
C26 C 0.63214(17) 0.5003(3) 0.70487(15) 0.0233(8) Uani 1 1 d . . . . .
Cl3 Cl 0.34888(15) 0.30412(18) 0.72316(8) 0.1100(11) Uani 1 1 d . . . . .
F3 F 0.56823(13) 0.2107(3) 0.54676(10) 0.0487(9) Uani 1 1 d . . . . .
Cl2 Cl 0.39341(8) 0.30674(10) 0.63530(6) 0.0534(4) Uani 1 1 d . . . . .
C18 C 0.61540(16) 0.2685(3) 0.88504(14) 0.0194(7) Uani 1 1 d . . . . .
Cl1 Cl 0.74015(4) 0.25860(7) 0.69407(3) 0.01878(17) Uani 1 1 d . . . . .
C4 C 0.5192(2) 0.1385(4) 0.60114(18) 0.0360(11) Uani 1 1 d . . . . .
H4 H 0.4868 0.1304 0.5752 0.043 Uiso 1 1 calc R . . . .
Cl4 Cl 0.47073(12) 0.28143(14) 0.73130(11) 0.1158(12) Uani 1 1 d . . . . .
C24 C 0.61578(17) 0.3533(3) 0.80367(14) 0.0199(7) Uani 1 1 d . . . . .
H24A H 0.5865 0.3484 0.7729 0.024 Uiso 1 1 calc R . . . .
H24B H 0.6459 0.3080 0.8023 0.024 Uiso 1 1 calc R . . . .
C5 C 0.51890(18) 0.1093(4) 0.64863(17) 0.0292(10) Uani 1 1 d . . . . .
H5 H 0.4861 0.0810 0.6552 0.035 Uiso 1 1 calc R . . . .
C3 C 0.5686(2) 0.1798(4) 0.59326(16) 0.0344(11) Uani 1 1 d . . . . .
C33A C 0.74673(19) 0.5520(3) 0.86232(17) 0.0298(9) Uani 1 1 d . U . . .
C34 C 0.7965(5) 0.5329(13) 0.8455(7) 0.034(10) Uiso 0.23(3) 1 d G . P E 1
H34 H 0.8040 0.4720 0.8366 0.040 Uiso 0.23(3) 1 calc R . P E 1
C35 C 0.8349(6) 0.605(2) 0.8419(8) 0.034(7) Uiso 0.23(3) 1 d G . P E 1
H35 H 0.8682 0.5920 0.8306 0.041 Uiso 0.23(3) 1 calc R . P E 1
C36 C 0.8237(10) 0.6958(17) 0.8551(8) 0.037(7) Uiso 0.23(3) 1 d G . P E 1
H36 H 0.8494 0.7439 0.8527 0.044 Uiso 0.23(3) 1 calc R . P E 1
C37 C 0.7739(13) 0.7149(6) 0.8719(10) 0.042(8) Uiso 0.23(3) 1 d G . P E 1
H37 H 0.7663 0.7758 0.8808 0.051 Uiso 0.23(3) 1 calc R . P E 1
C38 C 0.7354(8) 0.6430(6) 0.8755(8) 0.051(14) Uiso 0.23(3) 1 d G . P E 1
H38 H 0.7022 0.6558 0.8868 0.061 Uiso 0.23(3) 1 calc R . P E 1
C38A C 0.7286(4) 0.6324(7) 0.8830(6) 0.050(3) Uani 0.77(3) 1 d . U P E 2
H38A H 0.6942 0.6302 0.8936 0.060 Uiso 0.77(3) 1 calc R . P E 2
C37A C 0.7597(5) 0.7156(7) 0.8883(7) 0.069(4) Uani 0.77(3) 1 d . U P E 2
H37A H 0.7470 0.7676 0.9032 0.083 Uiso 0.77(3) 1 calc R . P E 2
C36A C 0.8098(5) 0.7195(8) 0.8712(6) 0.064(4) Uani 0.77(3) 1 d . U P E 2
H36A H 0.8311 0.7749 0.8745 0.077 Uiso 0.77(3) 1 calc R . P E 2
C35A C 0.8289(3) 0.6435(11) 0.8495(4) 0.045(3) Uani 0.77(3) 1 d . U P E 2
H35A H 0.8624 0.6475 0.8375 0.054 Uiso 0.77(3) 1 calc R . P E 2
C34A C 0.7974(3) 0.5592(11) 0.8453(3) 0.0362(19) Uani 0.77(3) 1 d . U P E 2
H34A H 0.8107 0.5071 0.8309 0.043 Uiso 0.77(3) 1 calc R . P E 2
C6 C 0.56846(18) 0.1224(3) 0.68698(15) 0.0228(8) Uani 1 1 d . . . . .
C7 C 0.57092(17) 0.0982(3) 0.73852(15) 0.0210(8) Uani 1 1 d . . . . .
N7 N 0.62135(14) 0.1249(2) 0.77143(12) 0.0188(6) Uani 1 1 d . . . . .
C8 C 0.52680(18) 0.0520(3) 0.75453(17) 0.0254(9) Uani 1 1 d . . . . .
H8 H 0.4930 0.0354 0.7317 0.031 Uiso 1 1 calc R . . . .
Cl8 Cl 0.3527(2) 0.1007(5) 0.5327(2) 0.187(3) Uani 0.75 1 d . . P D 1
C20 C 0.53597(19) 0.2963(4) 0.92564(16) 0.0284(10) Uani 1 1 d . . . . .
H20 H 0.5191 0.2864 0.9524 0.034 Uiso 1 1 calc R . . . .
Cl8A Cl 0.4127(7) 0.0608(13) 0.4664(7) 0.122(7) Uiso 0.25 1 d D . P D 2
C21 C 0.50877(18) 0.3528(4) 0.88675(16) 0.0285(9) Uani 1 1 d . . . . .
H21 H 0.4732 0.3803 0.8868 0.034 Uiso 1 1 calc R . . . .
C9 C 0.53287(19) 0.0309(3) 0.80377(18) 0.0281(9) Uani 1 1 d . . . . .
H9 H 0.5043 -0.0023 0.8146 0.034 Uiso 1 1 calc R . . . .
C22 C 0.53519(17) 0.3681(3) 0.84739(16) 0.0247(8) Uani 1 1 d . . . . .
H22 H 0.5167 0.4061 0.8212 0.030 Uiso 1 1 calc R . . . .
Cl9 Cl 0.32981(10) -0.07141(17) 0.47571(9) 0.0584(5) Uani 0.75 1 d . . P D 1
C23 C 0.58867(17) 0.3280(3) 0.84608(14) 0.0190(7) Uani 1 1 d . . . . .
C25 C 0.67603(17) 0.4835(3) 0.75306(15) 0.0233(8) Uani 1 1 d . . . . .
H25A H 0.7031 0.5357 0.7585 0.028 Uiso 1 1 calc R . . . .
H25B H 0.6978 0.4274 0.7494 0.028 Uiso 1 1 calc R . . . .
Cl9A Cl 0.2984(3) -0.0154(6) 0.4857(3) 0.0644(17) Uiso 0.25 1 d D . P D 2
C10 C 0.58255(18) 0.0601(3) 0.83688(16) 0.0248(8) Uani 1 1 d . . . . .
H10 H 0.5871 0.0475 0.8705 0.030 Uiso 1 1 calc R . . . .
C27 C 0.6131(2) 0.5906(4) 0.69091(18) 0.0335(10) Uani 1 1 d . . . . .
H27 H 0.6261 0.6406 0.7121 0.040 Uiso 1 1 calc R . . . .
Cl10 Cl 0.42897(12) 0.0415(2) 0.47392(9) 0.0481(5) Uani 0.75 1 d . . P D 1
C28 C 0.5749(2) 0.6069(4) 0.6455(2) 0.0416(13) Uani 1 1 d . . . . .
H28 H 0.5626 0.6677 0.6365 0.050 Uiso 1 1 calc R . . . .
C29 C 0.5551(2) 0.5336(5) 0.61395(18) 0.0441(14) Uani 1 1 d . . . . .
H29 H 0.5298 0.5446 0.5835 0.053 Uiso 1 1 calc R . . . .
C11 C 0.62575(16) 0.1080(3) 0.82064(15) 0.0193(7) Uani 1 1 d . . . . .
C30 C 0.5732(2) 0.4431(5) 0.62781(18) 0.0411(13) Uani 1 1 d . . . . .
H30 H 0.5599 0.3931 0.6067 0.049 Uiso 1 1 calc R . . . .
C31 C 0.61135(19) 0.4267(4) 0.67328(17) 0.0310(10) Uani 1 1 d . . . . .
H31 H 0.6230 0.3657 0.6825 0.037 Uiso 1 1 calc R . . . .
C12 C 0.67675(17) 0.1395(3) 0.85848(14) 0.0198(7) Uani 1 1 d . . . . .
C32 C 0.71046(18) 0.4652(3) 0.85890(16) 0.0253(8) Uani 1 1 d . . . . .
H32A H 0.6981 0.4570 0.8897 0.030 Uiso 1 1 calc R . . . .
H32B H 0.7338 0.4113 0.8546 0.030 Uiso 1 1 calc R . . . .
C13 C 0.72736(17) 0.0848(3) 0.86873(15) 0.0221(8) Uani 1 1 d . . . . .
C13A C 0.7317(2) -0.0024(3) 0.83928(19) 0.0318(10) Uani 1 1 d . . . . .
H13A H 0.7046 -0.0483 0.8456 0.048 Uiso 1 1 calc GR . . . .
H13B H 0.7703 -0.0272 0.8489 0.048 Uiso 1 1 calc GR . . . .
H13C H 0.7229 0.0126 0.8046 0.048 Uiso 1 1 calc GR . . . .
C14 C 0.77380(18) 0.1110(3) 0.90711(16) 0.0259(9) Uani 1 1 d . . . . .
H14 H 0.8077 0.0757 0.9143 0.031 Uiso 1 1 calc R . . . .
C15 C 0.76839(18) 0.1898(3) 0.93396(15) 0.0262(9) Uani 1 1 d . . . . .
F15 F 0.81428(11) 0.2164(2) 0.97040(10) 0.0367(7) Uani 1 1 d . . . . .
C39 C 0.4014(3) 0.2581(4) 0.6946(2) 0.0484(14) Uani 1 1 d . . . . .
H39 H 0.3961 0.1900 0.6914 0.058 Uiso 1 1 calc R . . . .
C16 C 0.71884(17) 0.2436(3) 0.92619(15) 0.0238(8) Uani 1 1 d . . . . .
H16 H 0.7168 0.2959 0.9459 0.029 Uiso 1 1 calc R . . . .
C41 C 0.3612(4) 0.0306(9) 0.4868(4) 0.140(6) Uani 1 1 d D . . . .
H41 H 0.3383 0.0658 0.4586 0.168 Uiso 0.75 1 calc R . P D 1
H41A H 0.3477 0.0950 0.4894 0.168 Uiso 0.25 1 calc R . P D 2
C17 C 0.67176(16) 0.2183(3) 0.88819(14) 0.0190(7) Uani 1 1 d . . . . .


_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
C40 H40 0.9800 . ?
C40 H40A 0.9800 . ?
C40 Cl5 1.846(9) . ?
C40 Cl6 1.785(12) . ?
C40 Cl7 1.610(10) . ?
C40 Cl5A 1.883(17) . ?
C40 Cl6A 1.991(12) . ?
C40 Cl7A 1.619(13) . ?
Cl0A C41 2.075(12) . ?
C1 Pt1 1.968(4) . ?
C1 C2 1.406(6) . ?
C1 C6 1.401(5) . ?
O1 P1 1.490(3) . ?
Pt1 Cl1 2.4607(9) 7_656 ?
Pt1 Cl1 2.2982(9) . ?
Pt1 N7 2.052(3) . ?
P1 C24 1.814(4) . ?
P1 C25 1.811(4) . ?
P1 C32 1.818(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.372(6) . ?
C19 H19 0.9300 . ?
C19 C18 1.400(5) . ?
C19 C20 1.392(6) . ?
C26 C25 1.512(6) . ?
C26 C27 1.389(7) . ?
C26 C31 1.382(7) . ?
Cl3 C39 1.748(7) . ?
F3 C3 1.358(5) . ?
Cl2 C39 1.752(6) . ?
C18 C23 1.404(6) . ?
C18 C17 1.500(5) . ?
Cl1 Pt1 2.4606(9) 7_656 ?
C4 H4 0.9300 . ?
C4 C5 1.380(7) . ?
C4 C3 1.373(7) . ?
Cl4 C39 1.755(7) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C23 1.505(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.404(6) . ?
C33A C34 1.3900 . ?
C33A C38 1.3900 . ?
C33A C38A 1.391(9) . ?
C33A C34A 1.389(8) . ?
C33A C32 1.496(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.3900 . ?
C35 H35 0.9300 . ?
C35 C36 1.3900 . ?
C36 H36 0.9300 . ?
C36 C37 1.3900 . ?
C37 H37 0.9300 . ?
C37 C38 1.3900 . ?
C38 H38 0.9300 . ?
C38A H38A 0.9300 . ?
C38A C37A 1.385(13) . ?
C37A H37A 0.9300 . ?
C37A C36A 1.377(14) . ?
C36A H36A 0.9300 . ?
C36A C35A 1.365(14) . ?
C35A H35A 0.9300 . ?
C35A C34A 1.406(14) . ?
C34A H34A 0.9300 . ?
C6 C7 1.456(6) . ?
C7 N7 1.381(5) . ?
C7 C8 1.391(5) . ?
N7 C11 1.364(5) . ?
C8 H8 0.9300 . ?
C8 C9 1.371(6) . ?
Cl8 C41 1.665(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.381(7) . ?
Cl8A C41 1.520(14) . ?
C21 H21 0.9300 . ?
C21 C22 1.392(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.381(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.398(5) . ?
Cl9 C41 1.630(10) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
Cl9A C41 1.620(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.388(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.391(7) . ?
Cl10 C41 1.730(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.374(9) . ?
C29 H29 0.9300 . ?
C29 C30 1.385(9) . ?
C11 C12 1.477(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.391(6) . ?
C31 H31 0.9300 . ?
C12 C13 1.404(5) . ?
C12 C17 1.412(6) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C13 C13A 1.502(6) . ?
C13 C14 1.395(6) . ?
C13A H13A 0.9600 . ?
C13A H13B 0.9600 . ?
C13A H13C 0.9600 . ?
C14 H14 0.9300 . ?
C14 C15 1.369(7) . ?
C15 F15 1.357(5) . ?
C15 C16 1.377(6) . ?
C39 H39 0.9800 . ?
C16 H16 0.9300 . ?
C16 C17 1.395(6) . ?
C41 H41 0.9800 . ?
C41 H41A 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
Cl5 C40 H40 107.2 . . ?
Cl6 C40 H40 107.2 . . ?
Cl6 C40 Cl5 103.9(5) . . ?
Cl7 C40 H40 107.2 . . ?
Cl7 C40 Cl5 114.5(6) . . ?
Cl7 C40 Cl6 116.1(6) . . ?
Cl5A C40 H40A 120.7 . . ?
Cl5A C40 Cl6A 88.1(10) . . ?
Cl6A C40 H40A 120.7 . . ?
Cl7A C40 H40A 120.7 . . ?
Cl7A C40 Cl5A 98.2(11) . . ?
Cl7A C40 Cl6A 102.0(7) . . ?
C2 C1 Pt1 126.7(3) . . ?
C6 C1 Pt1 115.1(3) . . ?
C6 C1 C2 118.0(4) . . ?
C1 Pt1 Cl1 93.50(12) . . ?
C1 Pt1 Cl1 171.00(13) . 7_656 ?
C1 Pt1 N7 81.59(15) . . ?
Cl1 Pt1 Cl1 79.15(3) . 7_656 ?
N7 Pt1 Cl1 105.73(9) . 7_656 ?
N7 Pt1 Cl1 175.09(9) . . ?
O1 P1 C24 113.70(18) . . ?
O1 P1 C25 113.17(19) . . ?
O1 P1 C32 113.50(19) . . ?
C24 P1 C32 105.4(2) . . ?
C25 P1 C24 105.8(2) . . ?
C25 P1 C32 104.4(2) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 C1 118.6(4) . . ?
C3 C2 H2 120.7 . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C20 C19 C18 121.4(4) . . ?
C27 C26 C25 120.4(4) . . ?
C31 C26 C25 120.9(4) . . ?
C31 C26 C27 118.7(4) . . ?
C19 C18 C23 119.0(4) . . ?
C19 C18 C17 116.1(4) . . ?
C23 C18 C17 124.9(3) . . ?
Pt1 Cl1 Pt1 100.85(3) . 7_656 ?
C5 C4 H4 121.0 . . ?
C3 C4 H4 121.0 . . ?
C3 C4 C5 118.1(4) . . ?
P1 C24 H24A 108.7 . . ?
P1 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
C23 C24 P1 114.3(3) . . ?
C23 C24 H24A 108.7 . . ?
C23 C24 H24B 108.7 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.7(4) . . ?
C6 C5 H5 120.2 . . ?
C2 C3 C4 124.2(4) . . ?
F3 C3 C2 117.9(4) . . ?
F3 C3 C4 117.9(4) . . ?
C34 C33A C38 120.0 . . ?
C34 C33A C32 109.6(8) . . ?
C38 C33A C32 130.2(8) . . ?
C38A C33A C32 118.7(7) . . ?
C34A C33A C38A 116.7(9) . . ?
C34A C33A C32 124.6(8) . . ?
C33A C34 H34 120.0 . . ?
C33A C34 C35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C38 C37 H37 120.0 . . ?
C33A C38 H38 120.0 . . ?
C37 C38 C33A 120.0 . . ?
C37 C38 H38 120.0 . . ?
C33A C38A H38A 118.6 . . ?
C37A C38A C33A 122.9(11) . . ?
C37A C38A H38A 118.6 . . ?
C38A C37A H37A 120.8 . . ?
C36A C37A C38A 118.5(10) . . ?
C36A C37A H37A 120.8 . . ?
C37A C36A H36A 119.4 . . ?
C35A C36A C37A 121.2(8) . . ?
C35A C36A H36A 119.4 . . ?
C36A C35A H35A 120.3 . . ?
C36A C35A C34A 119.4(8) . . ?
C34A C35A H35A 120.3 . . ?
C33A C34A C35A 121.3(10) . . ?
C33A C34A H34A 119.4 . . ?
C35A C34A H34A 119.4 . . ?
C1 C6 C5 121.5(4) . . ?
C1 C6 C7 115.2(4) . . ?
C5 C6 C7 123.3(4) . . ?
N7 C7 C6 114.6(3) . . ?
N7 C7 C8 121.4(4) . . ?
C8 C7 C6 124.0(4) . . ?
C7 N7 Pt1 113.5(3) . . ?
C11 N7 Pt1 128.6(3) . . ?
C11 N7 C7 117.9(3) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.3(4) . . ?
C9 C8 H8 119.8 . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.8(4) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 120.4 . . ?
C20 C21 C22 119.2(4) . . ?
C22 C21 H21 120.4 . . ?
C8 C9 H9 120.9 . . ?
C8 C9 C10 118.3(4) . . ?
C10 C9 H9 120.9 . . ?
C21 C22 H22 119.0 . . ?
C21 C22 C23 121.9(4) . . ?
C23 C22 H22 119.0 . . ?
C18 C23 C24 123.1(3) . . ?
C22 C23 C18 118.6(4) . . ?
C22 C23 C24 118.2(4) . . ?
P1 C25 H25A 108.3 . . ?
P1 C25 H25B 108.3 . . ?
C26 C25 P1 116.0(3) . . ?
C26 C25 H25A 108.3 . . ?
C26 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.9(4) . . ?
C11 C10 H10 119.6 . . ?
C26 C27 H27 119.7 . . ?
C26 C27 C28 120.6(5) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.3(5) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.5(5) . . ?
C30 C29 H29 120.2 . . ?
N7 C11 C10 121.1(4) . . ?
N7 C11 C12 121.2(3) . . ?
C10 C11 C12 117.7(4) . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.2(5) . . ?
C31 C30 H30 119.9 . . ?
C26 C31 C30 120.6(5) . . ?
C26 C31 H31 119.7 . . ?
C30 C31 H31 119.7 . . ?
C13 C12 C11 119.8(4) . . ?
C13 C12 C17 120.3(4) . . ?
C17 C12 C11 119.4(3) . . ?
P1 C32 H32A 109.1 . . ?
P1 C32 H32B 109.1 . . ?
C33A C32 P1 112.3(3) . . ?
C33A C32 H32A 109.1 . . ?
C33A C32 H32B 109.1 . . ?
H32A C32 H32B 107.9 . . ?
C12 C13 C13A 120.7(4) . . ?
C14 C13 C12 119.6(4) . . ?
C14 C13 C13A 119.7(4) . . ?
C13 C13A H13A 109.5 . . ?
C13 C13A H13B 109.5 . . ?
C13 C13A H13C 109.5 . . ?
H13A C13A H13B 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.6(4) . . ?
C15 C14 H14 120.7 . . ?
C14 C15 C16 123.7(4) . . ?
F15 C15 C14 118.3(4) . . ?
F15 C15 C16 118.0(4) . . ?
Cl3 C39 Cl2 109.9(3) . . ?
Cl3 C39 Cl4 109.6(4) . . ?
Cl3 C39 H39 108.9 . . ?
Cl2 C39 Cl4 110.7(4) . . ?
Cl2 C39 H39 108.9 . . ?
Cl4 C39 H39 108.9 . . ?
C15 C16 H16 120.7 . . ?
C15 C16 C17 118.7(4) . . ?
C17 C16 H16 120.7 . . ?
Cl0A C41 H41A 93.8 . . ?
Cl8 C41 Cl10 112.5(4) . . ?
Cl8 C41 H41 99.3 . . ?
Cl8A C41 Cl0A 107.2(9) . . ?
Cl8A C41 Cl9A 157.0(10) . . ?
Cl8A C41 H41A 93.8 . . ?
Cl9 C41 Cl8 123.4(6) . . ?
Cl9 C41 Cl10 116.5(6) . . ?
Cl9 C41 H41 99.3 . . ?
Cl9A C41 Cl0A 93.9(6) . . ?
Cl9A C41 H41A 93.8 . . ?
Cl10 C41 H41 99.3 . . ?
C12 C17 C18 122.5(3) . . ?
C16 C17 C18 117.9(4) . . ?
C16 C17 C12 119.1(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
C1 C2 C3 F3 177.5(5) . . . . ?
C1 C2 C3 C4 -1.7(8) . . . . ?
C1 C6 C7 N7 3.0(6) . . . . ?
C1 C6 C7 C8 -177.0(4) . . . . ?
O1 P1 C24 C23 -55.0(3) . . . . ?
O1 P1 C25 C26 -49.6(4) . . . . ?
O1 P1 C32 C33A -64.0(4) . . . . ?
Pt1 C1 C2 C3 -172.3(4) . . . . ?
Pt1 C1 C6 C5 173.8(4) . . . . ?
Pt1 C1 C6 C7 -3.1(5) . . . . ?
Pt1 N7 C11 C10 -177.2(3) . . . . ?
Pt1 N7 C11 C12 2.4(6) . . . . ?
P1 C24 C23 C18 -103.3(4) . . . . ?
P1 C24 C23 C22 74.6(4) . . . . ?
C2 C1 C6 C5 -0.8(7) . . . . ?
C2 C1 C6 C7 -177.7(4) . . . . ?
C19 C18 C23 C24 175.6(4) . . . . ?
C19 C18 C23 C22 -2.3(6) . . . . ?
C19 C18 C17 C12 106.6(5) . . . . ?
C19 C18 C17 C16 -65.3(5) . . . . ?
C19 C20 C21 C22 -1.1(7) . . . . ?
C26 C27 C28 C29 0.4(8) . . . . ?
C18 C19 C20 C21 0.6(7) . . . . ?
C4 C5 C6 C1 0.0(7) . . . . ?
C4 C5 C6 C7 176.7(5) . . . . ?
C24 P1 C25 C26 75.5(4) . . . . ?
C24 P1 C32 C33A 171.0(3) . . . . ?
C5 C4 C3 C2 0.9(9) . . . . ?
C5 C4 C3 F3 -178.3(5) . . . . ?
C5 C6 C7 N7 -173.8(4) . . . . ?
C5 C6 C7 C8 6.1(7) . . . . ?
C3 C4 C5 C6 0.0(8) . . . . ?
C33A C34 C35 C36 0.0 . . . . ?
C33A C38A C37A C36A 1.9(18) . . . . ?
C34 C33A C38 C37 0.0 . . . . ?
C34 C33A C32 P1 -105.6(9) . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C36 C37 C38 C33A 0.0 . . . . ?
C38 C33A C34 C35 0.0 . . . . ?
C38 C33A C32 P1 69.2(12) . . . . ?
C38A C33A C34A C35A 0.7(10) . . . . ?
C38A C33A C32 P1 77.8(8) . . . . ?
C38A C37A C36A C35A -0.1(17) . . . . ?
C37A C36A C35A C34A -1.3(14) . . . . ?
C36A C35A C34A C33A 0.9(11) . . . . ?
C34A C33A C38A C37A -2.1(14) . . . . ?
C34A C33A C32 P1 -100.9(6) . . . . ?
C6 C1 C2 C3 1.6(7) . . . . ?
C6 C7 N7 Pt1 -1.6(5) . . . . ?
C6 C7 N7 C11 177.4(4) . . . . ?
C6 C7 C8 C9 179.2(4) . . . . ?
C7 N7 C11 C10 4.0(6) . . . . ?
C7 N7 C11 C12 -176.3(4) . . . . ?
C7 C8 C9 C10 2.7(7) . . . . ?
N7 C7 C8 C9 -0.8(7) . . . . ?
N7 C11 C12 C13 -83.0(5) . . . . ?
N7 C11 C12 C17 104.7(4) . . . . ?
C8 C7 N7 Pt1 178.5(3) . . . . ?
C8 C7 N7 C11 -2.6(6) . . . . ?
C8 C9 C10 C11 -1.3(7) . . . . ?
C20 C19 C18 C23 1.1(6) . . . . ?
C20 C19 C18 C17 -179.3(4) . . . . ?
C20 C21 C22 C23 -0.1(7) . . . . ?
C21 C22 C23 C18 1.8(7) . . . . ?
C21 C22 C23 C24 -176.2(4) . . . . ?
C9 C10 C11 N7 -2.2(7) . . . . ?
C9 C10 C11 C12 178.1(4) . . . . ?
C23 C18 C17 C12 -73.8(6) . . . . ?
C23 C18 C17 C16 114.3(5) . . . . ?
C25 P1 C24 C23 -179.8(3) . . . . ?
C25 P1 C32 C33A 59.7(4) . . . . ?
C25 C26 C27 C28 176.9(4) . . . . ?
C25 C26 C31 C30 -176.7(4) . . . . ?
C10 C11 C12 C13 96.6(5) . . . . ?
C10 C11 C12 C17 -75.6(5) . . . . ?
C27 C26 C25 P1 86.1(5) . . . . ?
C27 C26 C31 C30 1.6(7) . . . . ?
C27 C28 C29 C30 0.5(8) . . . . ?
C28 C29 C30 C31 -0.3(8) . . . . ?
C29 C30 C31 C26 -0.8(7) . . . . ?
C11 C12 C13 C13A 4.1(6) . . . . ?
C11 C12 C13 C14 -175.1(4) . . . . ?
C11 C12 C17 C18 3.7(6) . . . . ?
C11 C12 C17 C16 175.5(4) . . . . ?
C31 C26 C25 P1 -95.6(4) . . . . ?
C31 C26 C27 C28 -1.4(7) . . . . ?
C12 C13 C14 C15 0.3(6) . . . . ?
C32 P1 C24 C23 70.0(3) . . . . ?
C32 P1 C25 C26 -173.6(3) . . . . ?
C32 C33A C34 C35 175.4(6) . . . . ?
C32 C33A C38 C37 -174.4(8) . . . . ?
C32 C33A C38A C37A 179.1(9) . . . . ?
C32 C33A C34A C35A 179.4(6) . . . . ?
C13 C12 C17 C18 -168.5(4) . . . . ?
C13 C12 C17 C16 3.3(6) . . . . ?
C13 C14 C15 F15 -178.3(4) . . . . ?
C13 C14 C15 C16 1.9(7) . . . . ?
C13A C13 C14 C15 -178.8(4) . . . . ?
C14 C15 C16 C17 -1.5(7) . . . . ?
C15 C16 C17 C18 171.0(4) . . . . ?
C15 C16 C17 C12 -1.1(6) . . . . ?
F15 C15 C16 C17 178.7(4) . . . . ?
C17 C18 C23 C24 -3.9(6) . . . . ?
C17 C18 C23 C22 178.2(4) . . . . ?
C17 C12 C13 C13A 176.3(4) . . . . ?
C17 C12 C13 C14 -2.9(6) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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 1.654
_oxdiff_exptl_absorpt_empirical_full_min 0.730
####################################################################### 
# 
# 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_ps32
_database_code_depnum_ccdc_archive 'CCDC 1540378'
_audit_update_record             
;
2017-03-27 deposited with the CCDC.
2017-06-05 downloaded from the CCDC.
;
_audit_creation_date             2016-06-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H32 F2 N P Pt, 1.2(C H Cl3), 0.2(C Cl3)'
_chemical_formula_sum            'C40.40 H33.20 Cl4.20 F2 N P Pt'
_chemical_formula_weight         945.63
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H20 N F2 P Pt'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
P P 0.1023 0.0942 '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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   14.61871(18)
_cell_length_b                   17.9381(3)
_cell_length_c                   28.6293(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.6391(12)
_cell_angle_gamma                90
_cell_volume                     7422.36(19)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    23293
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.9380
_cell_measurement_theta_min      2.6870
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.167
_exptl_absorpt_correction_T_max  0.972
_exptl_absorpt_correction_T_min  0.775
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43d (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3720
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 20 -24 0.0115
19 -8 -3 0.2332
-20 3 11 0.3005
0 17 29 0.0497
-1 -23 17 0.0197
0 23 15 0.0332
0 -15 -32 0.0432

_exptl_crystal_size_max          0.567
_exptl_crystal_size_mid          0.107
_exptl_crystal_size_min          0.05
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0000 20.0000 -24.0002 -0.6006 -0.7916 -0.0048
19.0000 -8.0000 -3.0000 0.1788 0.2239 0.9338
-20.0000 3.0000 11.0001 0.0078 -0.0209 -0.9857
0.0000 17.0000 29.0000 0.7181 -0.6632 -0.1556
-1.0000 -23.0000 17.0002 0.4138 0.9130 -0.0090
0.0000 23.0000 14.9999 0.3688 -0.9020 -0.1362
-0.0000 -15.0000 -32.0000 -0.7931 0.5839 0.1570

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            113385
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.378
_diffrn_reflns_theta_min         2.439
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.2833
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -59.00  50.00   1.00   15.00    --   17.29 -77.00  30.00  109
  2  ω    -56.00  45.00   1.00   15.00    --   17.29 -57.00 -90.00  101
  3  ω    -25.00  58.00   1.00   15.00    --   17.29 -99.00 150.00   83
  4  ω    -25.00  23.00   1.00   15.00    --  -18.22 -99.00-180.00   48
  5  ω   -107.00 -57.00   1.00   15.00    --  -18.22-178.00  90.00   50
  6  ω    -25.00  23.00   1.00   15.00    --  -18.22 -99.00 -90.00   48
  7  ω     -7.00  92.00   1.00   15.00    --   17.29  38.00 -30.00   99
  8  ω    -11.00  90.00   1.00   15.00    --   17.29  57.00  60.00  101
  9  ω     -7.00  92.00   1.00   15.00    --   17.29  38.00-180.00   99
 10  ω     35.00 106.00   1.00   15.00    --   17.29 178.00 -60.00   71
 11  ω    -25.00  23.00   1.00   15.00    --  -18.22 -99.00 120.00   48
 12  ω    -51.00  21.00   1.00   15.00    --  -18.22  77.00  30.00   72
 13  ω    -94.00 -39.00   1.00   15.00    --  -18.22 156.00-161.00   55
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0132614000
_diffrn_orient_matrix_UB_12      -0.0001835000
_diffrn_orient_matrix_UB_13      0.0248707000
_diffrn_orient_matrix_UB_21      -0.0047510000
_diffrn_orient_matrix_UB_22      -0.0393458000
_diffrn_orient_matrix_UB_23      0.0001959000
_diffrn_orient_matrix_UB_31      0.0470104000
_diffrn_orient_matrix_UB_32      -0.0039202000
_diffrn_orient_matrix_UB_33      -0.0030687000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9624
_reflns_number_total             12768
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.01
_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 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.700
_refine_diff_density_min         -1.275
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         12768
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0393
_refine_ls_restrained_S_all      1.045
_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)+(0.0433P)²+25.3287P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0958
_refine_special_details          ?
_olex2_refinement_description    
;
The asymmetric unit contains the complex and a lot of surrounding diffuse electron density. 
This was modeled as very disordered chloroform solvent. In one position, a molecule of 
chloroform was modeled over three very closely related positions. The occupancy was 
originally linked to free variables but the occupancy of the components was fixed at 
80:10:10 based on thermal parameters. Only the major component was refined 
anisotropically. 
The other electron density was also modeled a chloroform disordered over two closely 
related positions behind a PART -1 and PART -2 instruction as it straddled the 
2 fold axis. Both these components were refined isotropically at 40% occupancy.
Many DFIX, SIMU and DELU restraints were used to give these disordered components 
reasonable bond lengths angles and thermal parameters.
The methyl substituent on the pyridine ligand was also disordered over two positions.
The occupancy of the two positions was linked to a free variable which refined to 77:23. 
The minor component was refined isotropically.
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1C-Cl1B = C1C-Cl2B = C1C-Cl3B
 1.7 with sigma of 0.004
 Cl1B-Cl2B = Cl2B-Cl3B = Cl3B-Cl1B
 2.9 with sigma of 0.02
 C1E-Cl1D = C1E-Cl2D = C1E-Cl3D
 1.7 with sigma of 0.004
 Cl1D-Cl2D = Cl2D-Cl3D = Cl3D-Cl1D
 2.9 with sigma of 0.02
 C1F-Cl1E = C1F-Cl2E = C1F-Cl3E
 1.7 with sigma of 0.004
 Cl1E-Cl2E = Cl2E-Cl3E = Cl3E-Cl1E
 2.9 with sigma of 0.02
 H10-H13B
 2.1 with sigma of 0.02
 H10-H13C
 2.1 with sigma of 0.02
3. Rigid bond restraints
 C1F, Cl1E, Cl2E, Cl3E
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
C1E \\sim Cl1D \\sim Cl2D \\sim Cl3D: within 1.7A with sigma of 0.002 and sigma
for terminal atoms of 0.004
C1F \\sim Cl1E \\sim Cl2E \\sim Cl3E: within 1.7A with sigma of 0.003 and sigma
for terminal atoms of 0.006
5. Others
 Sof(H5)=Sof(C13A)=Sof(H13A)=Sof(H13B)=Sof(H13C)=1-FVAR(1)
 Sof(C5A)=Sof(H5AA)=Sof(H5AB)=Sof(H5AC)=Sof(H13)=FVAR(1)
 Fixed Sof: C1E(0.2) H1E(0.2) Cl1A(0.8) C1F(0.2) C1D(0.1) H1D(0.1) Cl1B(0.1)
 Cl1D(0.2) C1B(0.8) H1B(0.8) Cl1E(0.2) C1C(0.1) H1C(0.1) Cl1C(0.1) Cl2A(0.8)
 Cl2E(0.2) Cl2B(0.1) Cl2C(0.1) Cl2D(0.2) Cl3D(0.2) Cl3B(0.1) Cl3E(0.2)
 Cl3C(0.1) Cl3A(0.8)
6.a Ternary CH refined with riding coordinates:
 C1E(H1E), C1D(H1D), C1B(H1B), C1C(H1C)
6.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C25(H25A,H25B), C32(H32A,H32B)
6.c Me refined with riding coordinates:
 C13A(H13A,H13B,H13C)
6.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C16(H16), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C27(H27), C28(H28),
  C29(H29), C30(H30), C31(H31), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
6.e Idealised Me refined as rotating group:
 C5A(H5AA,H5AB,H5AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.60476(2) 0.55822(2) 0.60523(2) 0.02390(4) Uani 1 1 d . . . . .
P1 P 0.62567(6) 0.55253(5) 0.68431(3) 0.02283(17) Uani 1 1 d . . . . .
C1 C 0.6035(2) 0.4455(2) 0.59101(13) 0.0280(7) Uani 1 1 d . . . . .
C2 C 0.5878(2) 0.3846(2) 0.61957(13) 0.0299(8) Uani 1 1 d . . . . .
H2 H 0.5770 0.3927 0.6511 0.036 Uiso 1 1 calc R . . . .
C3 C 0.5879(2) 0.3136(2) 0.60218(14) 0.0328(8) Uani 1 1 d . . . . .
F3 F 0.57549(17) 0.25533(14) 0.63161(9) 0.0418(6) Uani 1 1 d . . . . .
C4 C 0.6018(2) 0.2964(2) 0.55682(15) 0.0360(9) Uani 1 1 d . . . . .
H4 H 0.6029 0.2461 0.5466 0.043 Uiso 1 1 calc R . . . .
C5 C 0.6141(2) 0.3547(2) 0.52664(14) 0.0342(9) Uani 1 1 d . . . . .
H5 H 0.6222 0.3447 0.4949 0.041 Uiso 0.231(11) 1 calc R . P A 2
C5A C 0.6281(4) 0.3321(4) 0.4767(2) 0.0458(17) Uani 0.769(11) 1 d . . P A 1
H5AA H 0.5817 0.3569 0.4536 0.069 Uiso 0.769(11) 1 calc GR . P A 1
H5AB H 0.6215 0.2779 0.4732 0.069 Uiso 0.769(11) 1 calc GR . P A 1
H5AC H 0.6902 0.3470 0.4713 0.069 Uiso 0.769(11) 1 calc GR . P A 1
C6 C 0.6146(2) 0.4289(2) 0.54308(13) 0.0308(8) Uani 1 1 d . . . . .
N7 N 0.61046(19) 0.56014(18) 0.53486(10) 0.0274(6) Uani 1 1 d . . . . .
C7 C 0.6231(2) 0.4947(2) 0.51332(13) 0.0317(8) Uani 1 1 d . . . . .
C8 C 0.6440(3) 0.4976(3) 0.46710(14) 0.0441(11) Uani 1 1 d . . . . .
H8 H 0.6534 0.4528 0.4508 0.053 Uiso 1 1 calc R . . . .
C9 C 0.6509(3) 0.5652(3) 0.44559(14) 0.0456(12) Uani 1 1 d . . . . .
H9 H 0.6645 0.5667 0.4142 0.055 Uiso 1 1 calc R . . . .
C10 C 0.6386(3) 0.6311(3) 0.46874(14) 0.0401(10) Uani 1 1 d . . . . .
H10 H 0.6436 0.6778 0.4536 0.048 Uiso 1 1 calc DR . . . .
C11 C 0.6185(2) 0.6278(2) 0.51499(12) 0.0309(8) Uani 1 1 d . . . . .
C12 C 0.6037(2) 0.6906(2) 0.54580(13) 0.0321(8) Uani 1 1 d . . . . .
C13 C 0.5959(3) 0.7634(3) 0.52915(15) 0.0410(10) Uani 1 1 d . . . . .
H13 H 0.6072 0.7743 0.4980 0.049 Uiso 0.769(11) 1 calc R . P A 1
C13A C 0.6127(16) 0.7963(9) 0.4822(9) 0.072(8) Uiso 0.231(11) 1 d . . P A 2
H13A H 0.6007 0.8500 0.4820 0.108 Uiso 0.231(11) 1 calc R . P A 2
H13B H 0.6771 0.7874 0.4779 0.108 Uiso 0.231(11) 1 calc DR . P A 2
H13C H 0.5712 0.7725 0.4564 0.108 Uiso 0.231(11) 1 calc DR . P A 2
C14 C 0.5715(3) 0.8205(3) 0.55795(16) 0.0453(10) Uani 1 1 d . . . . .
H14 H 0.5659 0.8706 0.5471 0.054 Uiso 1 1 calc R . . . .
F15 F 0.5296(2) 0.85675(15) 0.63048(10) 0.0587(8) Uani 1 1 d . . . . .
C15 C 0.5558(3) 0.8018(3) 0.60275(15) 0.0411(9) Uani 1 1 d . . . . .
C16 C 0.5646(3) 0.7300(2) 0.62019(14) 0.0366(9) Uani 1 1 d . . . . .
H16 H 0.5523 0.7201 0.6512 0.044 Uiso 1 1 calc R . . . .
C17 C 0.5913(2) 0.6717(2) 0.59282(13) 0.0296(7) Uani 1 1 d . . . . .
C18 C 0.7133(2) 0.4823(2) 0.70686(13) 0.0295(7) Uani 1 1 d . . . . .
H18A H 0.6980 0.4359 0.6886 0.035 Uiso 1 1 calc R . . . .
H18B H 0.7736 0.4999 0.6994 0.035 Uiso 1 1 calc R . . . .
C19 C 0.7267(3) 0.4621(2) 0.75852(13) 0.0298(7) Uani 1 1 d . . . . .
C20 C 0.6649(3) 0.4147(2) 0.77649(15) 0.0379(9) Uani 1 1 d . . . . .
H20 H 0.6110 0.3980 0.7565 0.045 Uiso 1 1 calc R . . . .
C21 C 0.6811(4) 0.3917(3) 0.82301(18) 0.0513(12) Uani 1 1 d . . . . .
H21 H 0.6381 0.3596 0.8348 0.062 Uiso 1 1 calc R . . . .
C22 C 0.7593(5) 0.4150(4) 0.8526(2) 0.0665(16) Uani 1 1 d . . . . .
H22 H 0.7711 0.3980 0.8843 0.080 Uiso 1 1 calc R . . . .
C23 C 0.8199(4) 0.4631(3) 0.83563(19) 0.0597(14) Uani 1 1 d . . . . .
H23 H 0.8730 0.4803 0.8561 0.072 Uiso 1 1 calc R . . . .
C24 C 0.8040(3) 0.4867(3) 0.78866(16) 0.0406(9) Uani 1 1 d . . . . .
H24 H 0.8464 0.5197 0.7773 0.049 Uiso 1 1 calc R . . . .
C25 C 0.6692(2) 0.6336(2) 0.72003(12) 0.0266(7) Uani 1 1 d . . . . .
H25A H 0.6280 0.6765 0.7105 0.032 Uiso 1 1 calc R . . . .
H25B H 0.6654 0.6226 0.7536 0.032 Uiso 1 1 calc R . . . .
C26 C 0.7675(2) 0.6560(2) 0.71601(12) 0.0254(7) Uani 1 1 d . . . . .
C27 C 0.8317(2) 0.6658(2) 0.75676(13) 0.0297(7) Uani 1 1 d . . . . .
H27 H 0.8131 0.6592 0.7869 0.036 Uiso 1 1 calc R . . . .
C28 C 0.9223(3) 0.6850(2) 0.75375(14) 0.0344(8) Uani 1 1 d . . . . .
H28 H 0.9652 0.6913 0.7819 0.041 Uiso 1 1 calc R . . . .
C29 C 0.9511(3) 0.6953(2) 0.71026(14) 0.0342(8) Uani 1 1 d . . . . .
H29 H 1.0135 0.7083 0.7084 0.041 Uiso 1 1 calc R . . . .
C30 C 0.8877(3) 0.6863(3) 0.66960(14) 0.0379(9) Uani 1 1 d . . . . .
H30 H 0.9065 0.6933 0.6396 0.045 Uiso 1 1 calc R . . . .
C31 C 0.7968(3) 0.6673(2) 0.67250(13) 0.0343(8) Uani 1 1 d . . . . .
H31 H 0.7538 0.6619 0.6443 0.041 Uiso 1 1 calc R . . . .
C32 C 0.5204(2) 0.5304(2) 0.70936(12) 0.0261(7) Uani 1 1 d . . . . .
H32A H 0.4953 0.4821 0.6965 0.031 Uiso 1 1 calc R . . . .
H32B H 0.5361 0.5252 0.7441 0.031 Uiso 1 1 calc R . . . .
C33 C 0.4473(2) 0.5898(2) 0.69821(13) 0.0251(7) Uani 1 1 d . . . . .
C34 C 0.4273(2) 0.6391(2) 0.73271(15) 0.0346(8) Uani 1 1 d . . . . .
H34 H 0.4607 0.6362 0.7638 0.041 Uiso 1 1 calc R . . . .
C35 C 0.3584(3) 0.6928(2) 0.72190(19) 0.0461(11) Uani 1 1 d . . . . .
H35 H 0.3450 0.7263 0.7457 0.055 Uiso 1 1 calc R . . . .
C36 C 0.3096(3) 0.6977(2) 0.67710(19) 0.0454(11) Uani 1 1 d . . . . .
H36 H 0.2625 0.7341 0.6699 0.054 Uiso 1 1 calc R . . . .
C37 C 0.3296(3) 0.6491(3) 0.64241(17) 0.0408(10) Uani 1 1 d . . . . .
H37 H 0.2964 0.6524 0.6113 0.049 Uiso 1 1 calc R . . . .
C38 C 0.3978(2) 0.5962(2) 0.65302(14) 0.0325(8) Uani 1 1 d . . . . .
H38 H 0.4112 0.5633 0.6289 0.039 Uiso 1 1 calc R . . . .
C1E C 0.7596(10) 0.4501(9) 1.0167(6) 0.099(5) Uiso 0.2 1 d D U P B -1
H1E H 0.7644 0.4785 1.0470 0.119 Uiso 0.2 1 calc R . P B -1
Cl1A Cl 0.5944(2) 0.55602(18) 0.84969(10) 0.1102(10) Uani 0.8 1 d . . P C 1
C1F C 0.7093(12) 0.3800(15) 1.0051(8) 0.114(6) Uiso 0.2 1 d D U P D -2
C1D C 0.650(2) 0.5628(19) 0.8781(12) 0.023(6) Uiso 0.1 1 d . . P E 3
H1D H 0.6745 0.5315 0.8540 0.028 Uiso 0.1 1 calc R . P E 3
Cl1B Cl 0.5602(9) 0.6122(9) 0.8474(5) 0.058(3) Uiso 0.1 1 d D . P F 2
Cl1D Cl 0.7852(8) 0.5096(6) 0.9743(4) 0.102(3) Uiso 0.2 1 d D U P B -1
C1B C 0.5787(7) 0.6265(5) 0.8855(4) 0.091(3) Uani 0.8 1 d . . P C 1
H1B H 0.5420 0.6672 0.8676 0.109 Uiso 0.8 1 calc R . P C 1
Cl1E Cl 0.6882(8) 0.3245(7) 0.9567(4) 0.105(3) Uiso 0.2 1 d D U P D -2
C1C C 0.6281(9) 0.5845(13) 0.8978(7) 0.049(11) Uiso 0.1 1 d D . P F 2
H1C H 0.6098 0.6212 0.9209 0.059 Uiso 0.1 1 calc R . P F 2
Cl1C Cl 0.6050(15) 0.6415(12) 0.8505(8) 0.089(5) Uiso 0.1 1 d . . P E 3
Cl2A Cl 0.69203(17) 0.66181(17) 0.91341(10) 0.1016(8) Uani 0.8 1 d . . P C 1
Cl2E Cl 0.6285(10) 0.4416(8) 1.0185(5) 0.124(5) Uiso 0.2 1 d D U P D -2
Cl2B Cl 0.7422(8) 0.6049(8) 0.9002(5) 0.057(3) Uiso 0.1 1 d D . P F 2
Cl2C Cl 0.7375(16) 0.5765(13) 0.9240(9) 0.099(6) Uiso 0.1 1 d . . P E 3
Cl2D Cl 0.8343(10) 0.3768(10) 1.0255(7) 0.138(7) Uiso 0.2 1 d D U P B -1
Cl3D Cl 0.6498(10) 0.4163(10) 1.0041(7) 0.135(5) Uiso 0.2 1 d D U P B -1
Cl3B Cl 0.5993(14) 0.5030(10) 0.9220(8) 0.100(6) Uiso 0.1 1 d D . P F 2
Cl3E Cl 0.8229(13) 0.3994(18) 1.0236(12) 0.246(17) Uiso 0.2 1 d D U P D -2
Cl3C Cl 0.5739(16) 0.5177(13) 0.8966(9) 0.097(6) Uiso 0.1 1 d . . P E 3
Cl3A Cl 0.52189(17) 0.59452(18) 0.93335(8) 0.0966(8) Uani 0.8 1 d . . P C 1


_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 P1 2.2409(9) . ?
Pt1 C1 2.062(4) . ?
Pt1 N7 2.029(3) . ?
Pt1 C17 2.071(4) . ?
P1 C18 1.842(4) . ?
P1 C25 1.835(4) . ?
P1 C32 1.837(3) . ?
C1 C2 1.405(6) . ?
C1 C6 1.437(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.367(6) . ?
C3 F3 1.372(5) . ?
C3 C4 1.379(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(6) . ?
C5 H5 0.9500 . ?
C5 C5A 1.529(6) . ?
C5 C6 1.411(6) . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C5A H5AC 0.9800 . ?
C6 C7 1.472(6) . ?
N7 C7 1.351(5) . ?
N7 C11 1.353(5) . ?
C7 C8 1.404(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.370(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.400(5) . ?
C11 C12 1.466(6) . ?
C12 C13 1.390(6) . ?
C12 C17 1.426(5) . ?
C13 H13 0.9500 . ?
C13 C13A 1.52(3) . ?
C13 C14 1.395(7) . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13A H13C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C15 1.378(6) . ?
F15 C15 1.357(5) . ?
C15 C16 1.379(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.397(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.506(5) . ?
C19 C20 1.394(6) . ?
C19 C24 1.387(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.380(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.381(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.376(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.396(7) . ?
C24 H24 0.9500 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.514(5) . ?
C26 C27 1.394(5) . ?
C26 C31 1.391(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.384(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.384(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.386(5) . ?
C31 H31 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.508(5) . ?
C33 C34 1.389(5) . ?
C33 C38 1.389(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.395(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.373(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.384(7) . ?
C37 H37 0.9500 . ?
C37 C38 1.377(6) . ?
C38 H38 0.9500 . ?
C1E H1E 1.0000 . ?
C1E Cl1D 1.699(4) . ?
C1E Cl2D 1.702(4) . ?
C1E Cl3D 1.703(4) . ?
Cl1A C1B 1.666(9) . ?
C1F Cl1E 1.698(4) . ?
C1F Cl2E 1.702(4) . ?
C1F Cl3E 1.701(4) . ?
C1D H1D 1.0000 . ?
C1D Cl1C 1.70(4) . ?
C1D Cl2C 1.71(4) . ?
C1D Cl3C 1.53(4) . ?
Cl1B C1C 1.699(4) . ?
C1B H1B 1.0000 . ?
C1B Cl2A 1.840(11) . ?
C1B Cl3A 1.799(10) . ?
C1C H1C 1.0000 . ?
C1C Cl2B 1.699(4) . ?
C1C Cl3B 1.696(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 P1 98.67(11) . . ?
C1 Pt1 C17 158.79(15) . . ?
N7 Pt1 P1 169.79(8) . . ?
N7 Pt1 C1 79.69(14) . . ?
N7 Pt1 C17 80.22(14) . . ?
C17 Pt1 P1 102.30(10) . . ?
C18 P1 Pt1 111.55(12) . . ?
C25 P1 Pt1 120.67(12) . . ?
C25 P1 C18 100.49(17) . . ?
C25 P1 C32 101.19(16) . . ?
C32 P1 Pt1 114.16(12) . . ?
C32 P1 C18 107.14(17) . . ?
C2 C1 Pt1 130.2(3) . . ?
C2 C1 C6 116.5(3) . . ?
C6 C1 Pt1 113.2(3) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.2(4) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 F3 118.6(3) . . ?
C2 C3 C4 124.0(4) . . ?
F3 C3 C4 117.3(4) . . ?
C3 C4 H4 121.0 . . ?
C3 C4 C5 118.0(4) . . ?
C5 C4 H4 121.0 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C5A 115.6(4) . . ?
C4 C5 C6 119.9(3) . . ?
C6 C5 H5 120.1 . . ?
C6 C5 C5A 124.5(4) . . ?
C5 C5A H5AA 109.5 . . ?
C5 C5A H5AB 109.5 . . ?
C5 C5A H5AC 109.5 . . ?
H5AA C5A H5AB 109.5 . . ?
H5AA C5A H5AC 109.5 . . ?
H5AB C5A H5AC 109.5 . . ?
C1 C6 C7 114.7(3) . . ?
C5 C6 C1 121.2(4) . . ?
C5 C6 C7 124.1(3) . . ?
C7 N7 Pt1 117.8(3) . . ?
C7 N7 C11 124.1(3) . . ?
C11 N7 Pt1 116.9(2) . . ?
N7 C7 C6 113.8(3) . . ?
N7 C7 C8 117.5(4) . . ?
C8 C7 C6 128.7(4) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.9(4) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.2(4) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 120.7 . . ?
C9 C10 C11 118.6(4) . . ?
C11 C10 H10 120.7 . . ?
N7 C11 C10 118.7(4) . . ?
N7 C11 C12 113.9(3) . . ?
C10 C11 C12 127.4(4) . . ?
C13 C12 C11 121.8(4) . . ?
C13 C12 C17 122.1(4) . . ?
C17 C12 C11 115.9(4) . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C13A 130.6(7) . . ?
C12 C13 C14 120.2(4) . . ?
C14 C13 H13 119.9 . . ?
C14 C13 C13A 109.1(7) . . ?
C13 C13A H13A 109.5 . . ?
C13 C13A H13B 109.5 . . ?
C13 C13A H13C 109.5 . . ?
H13A C13A H13B 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C13 C14 H14 121.2 . . ?
C15 C14 C13 117.6(4) . . ?
C15 C14 H14 121.2 . . ?
C14 C15 C16 123.0(4) . . ?
F15 C15 C14 117.9(4) . . ?
F15 C15 C16 119.1(4) . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 120.9(4) . . ?
C17 C16 H16 119.5 . . ?
C12 C17 Pt1 111.9(3) . . ?
C16 C17 Pt1 131.9(3) . . ?
C16 C17 C12 116.0(4) . . ?
P1 C18 H18A 107.5 . . ?
P1 C18 H18B 107.5 . . ?
H18A C18 H18B 107.0 . . ?
C19 C18 P1 119.3(3) . . ?
C19 C18 H18A 107.5 . . ?
C19 C18 H18B 107.5 . . ?
C20 C19 C18 120.9(4) . . ?
C24 C19 C18 120.5(4) . . ?
C24 C19 C20 118.5(4) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 C19 120.8(4) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.4(5) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.5(5) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.4(5) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 120.4(5) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
P1 C25 H25A 108.5 . . ?
P1 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 P1 114.9(2) . . ?
C26 C25 H25A 108.5 . . ?
C26 C25 H25B 108.5 . . ?
C27 C26 C25 119.8(3) . . ?
C31 C26 C25 122.0(3) . . ?
C31 C26 C27 118.2(3) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.6(3) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.8(3) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 120.5 . . ?
C30 C29 C28 119.0(4) . . ?
C30 C29 H29 120.5 . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120.3(4) . . ?
C31 C30 H30 119.8 . . ?
C26 C31 H31 119.5 . . ?
C30 C31 C26 121.1(3) . . ?
C30 C31 H31 119.5 . . ?
P1 C32 H32A 109.2 . . ?
P1 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C33 C32 P1 111.9(2) . . ?
C33 C32 H32A 109.2 . . ?
C33 C32 H32B 109.2 . . ?
C34 C33 C32 121.1(3) . . ?
C34 C33 C38 118.3(4) . . ?
C38 C33 C32 120.6(3) . . ?
C33 C34 H34 119.9 . . ?
C33 C34 C35 120.3(4) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.5(4) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.6(4) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0(4) . . ?
C38 C37 H37 120.0 . . ?
C33 C38 H38 119.3 . . ?
C37 C38 C33 121.4(4) . . ?
C37 C38 H38 119.3 . . ?
Cl1D C1E H1E 107.8 . . ?
Cl1D C1E Cl2D 112.7(10) . . ?
Cl1D C1E Cl3D 111.9(9) . . ?
Cl2D C1E H1E 107.8 . . ?
Cl2D C1E Cl3D 108.7(9) . . ?
Cl3D C1E H1E 107.8 . . ?
Cl1E C1F Cl2E 121.1(10) . . ?
Cl1E C1F Cl3E 115.0(11) . . ?
Cl3E C1F Cl2E 118.4(11) . . ?
Cl1C C1D H1D 107.5 . . ?
Cl1C C1D Cl2C 115(2) . . ?
Cl2C C1D H1D 107.5 . . ?
Cl3C C1D H1D 107.5 . . ?
Cl3C C1D Cl1C 111(2) . . ?
Cl3C C1D Cl2C 108(2) . . ?
Cl1A C1B H1B 110.5 . . ?
Cl1A C1B Cl2A 109.3(5) . . ?
Cl1A C1B Cl3A 110.4(6) . . ?
Cl2A C1B H1B 110.5 . . ?
Cl3A C1B H1B 110.5 . . ?
Cl3A C1B Cl2A 105.6(6) . . ?
Cl1B C1C H1C 100.9 . . ?
Cl1B C1C Cl2B 114.6(9) . . ?
Cl2B C1C H1C 100.9 . . ?
Cl3B C1C Cl1B 116.7(11) . . ?
Cl3B C1C H1C 100.9 . . ?
Cl3B C1C Cl2B 118.2(10) . . ?

_shelx_SHELXL_version_number     2014/7
_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 1.170
_oxdiff_exptl_absorpt_empirical_full_min 0.908
####################################################################### 
# 
# 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_ps38
_database_code_depnum_ccdc_archive 'CCDC 1540382'
_audit_update_record             
;
2017-03-27 deposited with the CCDC.
2017-06-05 downloaded from the CCDC.
;
_audit_creation_date             2016-07-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H29 Cl F2 N P Pt, C H Cl3'
_chemical_formula_sum            'C39 H30 Cl4 F2 N P Pt'
_chemical_formula_weight         918.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H20 N2 O2 F P 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'
P P 0.2955 0.4335 '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                   10.06885(9)
_cell_length_b                   10.97968(11)
_cell_length_c                   17.46056(18)
_cell_angle_alpha                107.6381(9)
_cell_angle_beta                 97.2289(9)
_cell_angle_gamma                105.2604(8)
_cell_volume                     1729.76(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    47973
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      73.4450
_cell_measurement_theta_min      4.4360
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.208
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43d (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_av_unetI/netI     0.0224
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            59546
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.604
_diffrn_reflns_theta_min         4.332
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3046
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -114.00 -14.00   1.00    1.00    --  -41.82 -57.00   0.00  100
  2  ω   -116.00 -17.00   1.00    1.00    --  -41.82 -37.00  30.00   99
  3  ω   -116.00 -17.00   1.00    1.00    --  -41.82 -37.00 120.00   99
  4  ω     12.00 115.00   1.00    1.00    --   41.82  65.00 -96.98  103
  5  ω     12.00 114.00   1.00    1.00    --   41.82  64.00-145.15  102
  6  ω    -31.00  71.00   1.00    1.00    --   41.82 -63.00 147.52  102
  7  ω     12.00 115.00   1.00    1.00    --   41.82  65.00  16.68  103
  8  ω     12.00 114.00   1.00    1.00    --   41.82  64.00 144.82  102
  9  ω    -31.00  71.00   1.00    1.00    --   41.82 -64.00 -88.67  102
 10  ω    -31.00  71.00   1.00    1.00    --   41.82 -63.00  -6.57  102
 11  ω     12.00 115.00   1.00    1.00    --   41.82  65.00 -30.64  103
 12  ω    -31.00  71.00   1.00    1.00    --   41.82 -64.00  92.21  102
 13  ω     34.00 137.00   1.00    4.00    --  107.00 -65.00 -30.44  103
 14  ω     78.00 178.00   1.00    4.00    --  107.00  61.00   0.00  100
 15  ω     34.00 137.00   1.00    4.00    --  107.00 -65.00  12.97  103
 16  ω     78.00 178.00   1.00    4.00    --  107.00  61.00 -90.00  100
 17  ω     81.00 178.00   1.00    4.00    --  107.00  45.00-120.00   97
 18  ω     81.00 178.00   1.00    4.00    --  107.00  45.00-180.00   97
 19  ω     78.00 178.00   1.00    4.00    --  107.00  61.00  90.00  100
 20  ω     81.00 178.00   1.00    4.00    --  107.00  45.00  90.00   97
 21  ω     81.00 178.00   1.00    4.00    --  107.00  45.00 -30.00   97
 22  ω     78.00 178.00   1.00    4.00    --  107.00  61.00-180.00  100
 23  ω     81.00 178.00   1.00    4.00    --  107.00  45.00 -90.00   97
 24  ω     81.00 178.00   1.00    4.00    --  107.00  45.00   0.00   97
 25  ω     34.00 137.00   1.00    4.00    --  107.00 -65.00 128.93  103
 26  ω     78.00 178.00   1.00    4.00    --  107.00  61.00 -30.00  100
 27  ω     34.00 137.00   1.00    4.00    --  107.00 -65.00-104.77  103
 28  ω     78.00 178.00   1.00    4.00    --  107.00  61.00-150.00  100
 29  ω     78.00 178.00   1.00    4.00    --  107.00  61.00 120.00  100
 30  ω     34.00 137.00   1.00    4.00    --  107.00 -65.00  66.92  103
 31  ω     78.00 178.00   1.00    4.00    --  107.00  61.00  30.00  100
 32  ω     78.00 178.00   1.00    4.00    --  107.00  61.00 150.00  100
 33  ω     78.00 178.00   1.00    4.00    --  107.00  61.00 -60.00  100
 34  ω     81.00 178.00   1.00    4.00    --  107.00  45.00  30.00   97
 35  ω     81.00 178.00   1.00    4.00    --  107.00  45.00 120.00   97
 36  ω     78.00 178.00   1.00    4.00    --  107.00  61.00  60.00  100
 37  ω     81.00 178.00   1.00    4.00    --  107.00  45.00 -60.00   97
 38  ω     34.00 137.00   1.00    4.00    --  107.00 -65.00-155.12  103
 39  ω     81.00 178.00   1.00    4.00    --  107.00  45.00-150.00   97
 40  ω     78.00 178.00   1.00    4.00    --  107.00  61.00-120.00  100
 41  ω   -114.00 -14.00   1.00    1.00    --  -41.82 -57.00-180.00  100
 42  ω   -114.00 -14.00   1.00    1.00    --  -41.82 -57.00  90.00  100
 43  ω   -114.00 -14.00   1.00    1.00    --  -41.82 -57.00 -30.00  100
 44  ω   -116.00 -17.00   1.00    1.00    --  -41.82 -37.00  60.00   99
 45  ω   -116.00 -17.00   1.00    1.00    --  -41.82 -37.00 -60.00   99
 46  ω   -114.00 -14.00   1.00    1.00    --  -41.82 -57.00 -90.00  100
 47  ω    -46.00 130.00   1.00    1.00    --   41.82   0.00 -30.00  176
 48  ω    -46.00 130.00   1.00    1.00    --   41.82   0.00 -60.00  176
 49  ω    -46.00 130.00   1.00    1.00    --   41.82   0.00 -90.00  176
 50  ω    -46.00 130.00   1.00    1.00    --   41.82   0.00-120.00  176
 51  ω    -46.00 130.00   1.00    1.00    --   41.82   0.00-150.00  176
 52  ω    -46.00 130.00   1.00    1.00    --   41.82   0.00-180.00  176
 53  ω      1.00 122.00   1.00    1.00    --   41.82  19.00-180.00  121
 54  ω    -46.00  72.00   1.00    1.00    --   41.82   0.00   0.00  118
 55  ω     12.00 115.00   1.00    1.00    --   41.82  65.00 108.71  103
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0671408000
_diffrn_orient_matrix_UB_12      0.0982283000
_diffrn_orient_matrix_UB_13      -0.0236127000
_diffrn_orient_matrix_UB_21      0.1415999000
_diffrn_orient_matrix_UB_22      0.1147100000
_diffrn_orient_matrix_UB_23      0.0389863000
_diffrn_orient_matrix_UB_31      0.0437928000
_diffrn_orient_matrix_UB_32      -0.0363486000
_diffrn_orient_matrix_UB_33      -0.0833388000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\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                6578
_reflns_number_total             6645
_reflns_odcompleteness_completeness 96.05
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     69.95
_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 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.703
_refine_diff_density_min         -1.026
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6645
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0198
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0224P)²+2.6180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0489
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C39(H39)
2.b Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C25(H25A,H25B), C32(H32A,H32B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C16(H16), C19(H19), C20(H20), C21(H21), C22(H22), C27(H27), C28(H28), C29(H29),
  C30(H30), C31(H31), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
C1 C 0.5978(2) 0.4120(2) 0.60602(15) 0.0145(5) Uani 1 1 d . . . . .
Cl1 Cl 0.26065(6) 0.49483(6) 0.72056(4) 0.01905(12) Uani 1 1 d . . . . .
P1 P 0.54488(6) 0.44905(6) 0.79566(4) 0.01461(12) Uani 1 1 d . . . . .
Pt1 Pt 0.44445(2) 0.41943(2) 0.66691(2) 0.01223(4) Uani 1 1 d . . . . .
C2 C 0.7438(3) 0.4679(2) 0.63698(17) 0.0183(5) Uani 1 1 d . . . . .
H2 H 0.7820 0.4965 0.6945 0.022 Uiso 1 1 calc R . . . .
C3 C 0.8321(3) 0.4814(3) 0.58379(18) 0.0211(5) Uani 1 1 d . . . . .
F3 F 0.97323(15) 0.53878(17) 0.61724(11) 0.0298(4) Uani 1 1 d . . . . .
C4 C 0.7867(3) 0.4422(3) 0.49950(18) 0.0213(5) Uani 1 1 d . . . . .
H4 H 0.8512 0.4532 0.4649 0.026 Uiso 1 1 calc R . . . .
C5 C 0.6418(3) 0.3859(2) 0.46769(17) 0.0191(5) Uani 1 1 d . . . . .
H5 H 0.6059 0.3569 0.4099 0.023 Uiso 1 1 calc R . . . .
C6 C 0.5486(2) 0.3715(2) 0.51929(16) 0.0161(5) Uani 1 1 d . . . . .
C7 C 0.3958(2) 0.3124(2) 0.48788(16) 0.0153(5) Uani 1 1 d . . . . .
N7 N 0.3220(2) 0.30955(19) 0.54715(13) 0.0137(4) Uani 1 1 d . . . . .
C8 C 0.3261(3) 0.2565(2) 0.40479(17) 0.0198(5) Uani 1 1 d . . . . .
H8 H 0.3769 0.2637 0.3632 0.024 Uiso 1 1 calc R . . . .
C9 C 0.1825(3) 0.1906(3) 0.38396(17) 0.0217(5) Uani 1 1 d . . . . .
H9 H 0.1325 0.1560 0.3280 0.026 Uiso 1 1 calc R . . . .
C10 C 0.1120(3) 0.1751(3) 0.44507(17) 0.0206(5) Uani 1 1 d . . . . .
H10 H 0.0146 0.1240 0.4309 0.025 Uiso 1 1 calc R . . . .
C11 C 0.1836(2) 0.2346(2) 0.52746(16) 0.0158(5) Uani 1 1 d . . . . .
C12 C 0.1093(2) 0.2109(2) 0.59249(16) 0.0158(5) Uani 1 1 d . . . . .
C13 C -0.0227(3) 0.2304(2) 0.59026(17) 0.0196(5) Uani 1 1 d . . . . .
H13 H -0.0600 0.2581 0.5481 0.024 Uiso 1 1 calc R . . . .
C14 C -0.1003(3) 0.2105(3) 0.64803(18) 0.0225(5) Uani 1 1 d . . . . .
H14 H -0.1898 0.2243 0.6461 0.027 Uiso 1 1 calc R . . . .
C15 C -0.0436(3) 0.1703(3) 0.70808(17) 0.0210(5) Uani 1 1 d . . . . .
F15 F -0.11844(16) 0.14880(17) 0.76524(11) 0.0301(4) Uani 1 1 d . . . . .
C16 C 0.0851(3) 0.1474(2) 0.71242(16) 0.0185(5) Uani 1 1 d . . . . .
H16 H 0.1199 0.1183 0.7546 0.022 Uiso 1 1 calc R . . . .
C17 C 0.1639(2) 0.1672(2) 0.65426(16) 0.0154(5) Uani 1 1 d . . . . .
C18 C 0.2946(2) 0.1260(2) 0.65451(16) 0.0160(5) Uani 1 1 d . . . . .
C19 C 0.2977(3) 0.0279(2) 0.58223(17) 0.0186(5) Uani 1 1 d . . . . .
H19 H 0.2222 -0.0028 0.5353 0.022 Uiso 1 1 calc R . . . .
C20 C 0.4080(3) -0.0257(3) 0.57715(18) 0.0236(6) Uani 1 1 d . . . . .
H20 H 0.4091 -0.0910 0.5272 0.028 Uiso 1 1 calc R . . . .
C21 C 0.5163(3) 0.0176(3) 0.6460(2) 0.0265(6) Uani 1 1 d . . . . .
H21 H 0.5915 -0.0197 0.6441 0.032 Uiso 1 1 calc R . . . .
C22 C 0.5152(3) 0.1150(3) 0.71776(18) 0.0222(5) Uani 1 1 d . . . . .
H22 H 0.5903 0.1432 0.7645 0.027 Uiso 1 1 calc R . . . .
C23 C 0.4071(2) 0.1738(2) 0.72399(16) 0.0170(5) Uani 1 1 d . . . . .
C24 C 0.4247(2) 0.2932(2) 0.80149(16) 0.0172(5) Uani 1 1 d . . . . .
H24A H 0.4641 0.2763 0.8507 0.021 Uiso 1 1 calc R . . . .
H24B H 0.3314 0.3044 0.8067 0.021 Uiso 1 1 calc R . . . .
C25 C 0.7266(3) 0.4477(3) 0.82769(17) 0.0203(5) Uani 1 1 d . . . . .
H25A H 0.7375 0.3650 0.7899 0.024 Uiso 1 1 calc R . . . .
H25B H 0.7935 0.5258 0.8209 0.024 Uiso 1 1 calc R . . . .
C26 C 0.7680(3) 0.4530(3) 0.91543(18) 0.0237(6) Uani 1 1 d . . . . .
C27 C 0.7308(3) 0.3399(4) 0.9378(2) 0.0337(7) Uani 1 1 d . . . . .
H27 H 0.6785 0.2549 0.8969 0.040 Uiso 1 1 calc R . . . .
C28 C 0.7686(3) 0.3488(5) 1.0192(2) 0.0461(9) Uani 1 1 d . . . . .
H28 H 0.7416 0.2702 1.0335 0.055 Uiso 1 1 calc R . . . .
C29 C 0.8455(3) 0.4716(5) 1.0795(2) 0.0483(10) Uani 1 1 d . . . . .
H29 H 0.8701 0.4784 1.1353 0.058 Uiso 1 1 calc R . . . .
C30 C 0.8859(4) 0.5837(4) 1.0576(2) 0.0452(9) Uani 1 1 d . . . . .
H30 H 0.9399 0.6682 1.0985 0.054 Uiso 1 1 calc R . . . .
C31 C 0.8486(3) 0.5750(3) 0.9763(2) 0.0334(7) Uani 1 1 d . . . . .
H31 H 0.8786 0.6533 0.9621 0.040 Uiso 1 1 calc R . . . .
C32 C 0.5300(3) 0.5877(3) 0.88106(16) 0.0201(5) Uani 1 1 d . . . . .
H32A H 0.4302 0.5853 0.8743 0.024 Uiso 1 1 calc R . . . .
H32B H 0.5576 0.5741 0.9335 0.024 Uiso 1 1 calc R . . . .
C33 C 0.6211(3) 0.7255(3) 0.88631(17) 0.0209(5) Uani 1 1 d . . . . .
C34 C 0.7123(3) 0.8155(3) 0.9603(2) 0.0321(7) Uani 1 1 d . . . . .
H34 H 0.7169 0.7904 1.0078 0.039 Uiso 1 1 calc R . . . .
C35 C 0.7966(4) 0.9415(3) 0.9654(2) 0.0411(8) Uani 1 1 d . . . . .
H35 H 0.8591 1.0013 1.0162 0.049 Uiso 1 1 calc R . . . .
C36 C 0.7904(3) 0.9807(3) 0.8972(2) 0.0377(7) Uani 1 1 d . . . . .
H36 H 0.8484 1.0667 0.9007 0.045 Uiso 1 1 calc R . . . .
C37 C 0.6989(3) 0.8933(3) 0.8240(2) 0.0338(7) Uani 1 1 d . . . . .
H37 H 0.6934 0.9194 0.7769 0.041 Uiso 1 1 calc R . . . .
C38 C 0.6149(3) 0.7673(3) 0.81864(19) 0.0275(6) Uani 1 1 d . . . . .
H38 H 0.5519 0.7085 0.7678 0.033 Uiso 1 1 calc R . . . .
C39 C 0.1940(4) 0.7945(3) 0.7837(2) 0.0366(7) Uani 1 1 d . . . . .
H39 H 0.2011 0.7018 0.7722 0.044 Uiso 1 1 calc R . . . .
Cl2 Cl 0.20125(9) 0.83425(8) 0.69423(5) 0.04349(19) Uani 1 1 d . . . . .
Cl3 Cl 0.33660(10) 0.90761(16) 0.86365(7) 0.0734(4) Uani 1 1 d . . . . .
Cl4 Cl 0.03285(9) 0.79562(10) 0.81292(6) 0.0481(2) Uani 1 1 d . . . . .


_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
C1 Pt1 1.987(2) . ?
C1 C2 1.398(3) . ?
C1 C6 1.423(4) . ?
Cl1 Pt1 2.4001(6) . ?
P1 Pt1 2.2346(6) . ?
P1 C24 1.857(2) . ?
P1 C25 1.850(2) . ?
P1 C32 1.834(3) . ?
Pt1 N7 2.095(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.377(4) . ?
C3 F3 1.362(3) . ?
C3 C4 1.380(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.390(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.392(4) . ?
C6 C7 1.462(3) . ?
C7 N7 1.351(3) . ?
C7 C8 1.397(4) . ?
N7 C11 1.357(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.380(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(4) . ?
C11 C12 1.485(4) . ?
C12 C13 1.398(3) . ?
C12 C17 1.413(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.372(4) . ?
C15 F15 1.363(3) . ?
C15 C16 1.381(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.398(4) . ?
C17 C18 1.499(3) . ?
C18 C19 1.400(4) . ?
C18 C23 1.410(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.383(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.403(3) . ?
C23 C24 1.524(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.516(4) . ?
C26 C27 1.386(4) . ?
C26 C31 1.389(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.391(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.382(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.373(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.390(5) . ?
C31 H31 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.517(4) . ?
C33 C34 1.392(4) . ?
C33 C38 1.391(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.390(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.384(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.377(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.386(4) . ?
C38 H38 0.9500 . ?
C39 H39 1.0000 . ?
C39 Cl2 1.750(3) . ?
C39 Cl3 1.749(4) . ?
C39 Cl4 1.763(3) . ?

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
C2 C1 Pt1 128.52(19) . . ?
C2 C1 C6 116.9(2) . . ?
C6 C1 Pt1 112.89(17) . . ?
C24 P1 Pt1 96.81(8) . . ?
C25 P1 Pt1 124.07(9) . . ?
C25 P1 C24 106.25(11) . . ?
C32 P1 Pt1 118.76(9) . . ?
C32 P1 C24 105.32(12) . . ?
C32 P1 C25 103.28(12) . . ?
C1 Pt1 Cl1 158.48(6) . . ?
C1 Pt1 P1 104.44(7) . . ?
C1 Pt1 N7 80.56(9) . . ?
P1 Pt1 Cl1 87.97(2) . . ?
N7 Pt1 Cl1 95.35(6) . . ?
N7 Pt1 P1 155.83(5) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.7(2) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 124.3(2) . . ?
F3 C3 C2 117.4(2) . . ?
F3 C3 C4 118.2(2) . . ?
C3 C4 H4 121.7 . . ?
C3 C4 C5 116.7(2) . . ?
C5 C4 H4 121.7 . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 120.9(2) . . ?
C6 C5 H5 119.5 . . ?
C1 C6 C7 116.2(2) . . ?
C5 C6 C1 121.5(2) . . ?
C5 C6 C7 122.4(2) . . ?
N7 C7 C6 114.0(2) . . ?
N7 C7 C8 120.3(2) . . ?
C8 C7 C6 125.6(2) . . ?
C7 N7 Pt1 113.59(15) . . ?
C7 N7 C11 120.7(2) . . ?
C11 N7 Pt1 125.57(17) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 C7 119.1(2) . . ?
C9 C8 H8 120.5 . . ?
C8 C9 H9 120.3 . . ?
C8 C9 C10 119.5(2) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0(2) . . ?
C11 C10 H10 120.0 . . ?
N7 C11 C10 119.5(2) . . ?
N7 C11 C12 120.8(2) . . ?
C10 C11 C12 119.7(2) . . ?
C13 C12 C11 117.3(2) . . ?
C13 C12 C17 119.3(2) . . ?
C17 C12 C11 123.3(2) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 C12 121.7(2) . . ?
C14 C13 H13 119.2 . . ?
C13 C14 H14 121.1 . . ?
C15 C14 C13 117.7(2) . . ?
C15 C14 H14 121.1 . . ?
C14 C15 C16 123.0(3) . . ?
F15 C15 C14 118.9(2) . . ?
F15 C15 C16 118.0(2) . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.5(2) . . ?
C17 C16 H16 120.3 . . ?
C12 C17 C18 122.8(2) . . ?
C16 C17 C12 118.8(2) . . ?
C16 C17 C18 118.1(2) . . ?
C19 C18 C17 116.5(2) . . ?
C19 C18 C23 119.5(2) . . ?
C23 C18 C17 123.8(2) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 C18 121.8(2) . . ?
C20 C19 H19 119.1 . . ?
C19 C20 H20 120.6 . . ?
C21 C20 C19 118.9(3) . . ?
C21 C20 H20 120.6 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 118.8 . . ?
C21 C22 C23 122.4(3) . . ?
C23 C22 H22 118.8 . . ?
C18 C23 C24 123.9(2) . . ?
C22 C23 C18 117.3(2) . . ?
C22 C23 C24 118.5(2) . . ?
P1 C24 H24A 109.7 . . ?
P1 C24 H24B 109.7 . . ?
C23 C24 P1 109.74(17) . . ?
C23 C24 H24A 109.7 . . ?
C23 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
P1 C25 H25A 108.4 . . ?
P1 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 P1 115.50(18) . . ?
C26 C25 H25A 108.4 . . ?
C26 C25 H25B 108.4 . . ?
C27 C26 C25 122.7(3) . . ?
C27 C26 C31 118.0(3) . . ?
C31 C26 C25 119.3(3) . . ?
C26 C27 H27 119.4 . . ?
C26 C27 C28 121.2(3) . . ?
C28 C27 H27 119.4 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.1(3) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 120.4 . . ?
C30 C29 C28 119.2(3) . . ?
C30 C29 H29 120.4 . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.8(4) . . ?
C31 C30 H30 119.6 . . ?
C26 C31 C30 120.7(3) . . ?
C26 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
P1 C32 H32A 108.9 . . ?
P1 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
C33 C32 P1 113.25(19) . . ?
C33 C32 H32A 108.9 . . ?
C33 C32 H32B 108.9 . . ?
C34 C33 C32 120.5(3) . . ?
C38 C33 C32 121.7(2) . . ?
C38 C33 C34 117.8(3) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 C33 120.8(3) . . ?
C35 C34 H34 119.6 . . ?
C34 C35 H35 119.7 . . ?
C36 C35 C34 120.5(3) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 H36 120.4 . . ?
C37 C36 C35 119.1(3) . . ?
C37 C36 H36 120.4 . . ?
C36 C37 H37 119.8 . . ?
C36 C37 C38 120.5(3) . . ?
C38 C37 H37 119.8 . . ?
C33 C38 H38 119.4 . . ?
C37 C38 C33 121.2(3) . . ?
C37 C38 H38 119.4 . . ?
Cl2 C39 H39 108.4 . . ?
Cl2 C39 Cl4 111.07(18) . . ?
Cl3 C39 H39 108.4 . . ?
Cl3 C39 Cl2 110.05(19) . . ?
Cl3 C39 Cl4 110.55(19) . . ?
Cl4 C39 H39 108.4 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C39 H39 Cl1 1.00 2.44 3.412(3) 164.4 .

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
C1 C2 C3 F3 178.8(2) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C1 C6 C7 N7 2.5(3) . . . . ?
C1 C6 C7 C8 -174.7(2) . . . . ?
P1 C25 C26 C27 81.2(3) . . . . ?
P1 C25 C26 C31 -100.0(3) . . . . ?
P1 C32 C33 C34 -128.7(2) . . . . ?
P1 C32 C33 C38 52.6(3) . . . . ?
Pt1 C1 C2 C3 -163.91(19) . . . . ?
Pt1 C1 C6 C5 166.94(18) . . . . ?
Pt1 C1 C6 C7 -14.0(2) . . . . ?
Pt1 P1 C24 C23 47.00(16) . . . . ?
Pt1 P1 C25 C26 -172.99(16) . . . . ?
Pt1 P1 C32 C33 -72.74(19) . . . . ?
Pt1 N7 C11 C10 174.94(16) . . . . ?
Pt1 N7 C11 C12 -7.4(3) . . . . ?
C2 C1 C6 C5 0.5(3) . . . . ?
C2 C1 C6 C7 179.6(2) . . . . ?
C2 C3 C4 C5 0.1(4) . . . . ?
C3 C4 C5 C6 0.5(4) . . . . ?
F3 C3 C4 C5 -179.0(2) . . . . ?
C4 C5 C6 C1 -0.8(4) . . . . ?
C4 C5 C6 C7 -179.8(2) . . . . ?
C5 C6 C7 N7 -178.5(2) . . . . ?
C5 C6 C7 C8 4.3(4) . . . . ?
C6 C1 C2 C3 0.0(3) . . . . ?
C6 C7 N7 Pt1 9.8(2) . . . . ?
C6 C7 N7 C11 -166.77(19) . . . . ?
C6 C7 C8 C9 172.7(2) . . . . ?
C7 N7 C11 C10 -9.0(3) . . . . ?
C7 N7 C11 C12 168.7(2) . . . . ?
C7 C8 C9 C10 -3.3(4) . . . . ?
N7 C7 C8 C9 -4.3(3) . . . . ?
N7 C11 C12 C13 132.7(2) . . . . ?
N7 C11 C12 C17 -48.8(3) . . . . ?
C8 C7 N7 Pt1 -172.95(17) . . . . ?
C8 C7 N7 C11 10.5(3) . . . . ?
C8 C9 C10 C11 4.8(4) . . . . ?
C9 C10 C11 N7 1.2(4) . . . . ?
C9 C10 C11 C12 -176.4(2) . . . . ?
C10 C11 C12 C13 -49.7(3) . . . . ?
C10 C11 C12 C17 128.8(3) . . . . ?
C11 C12 C13 C14 179.8(2) . . . . ?
C11 C12 C17 C16 -179.7(2) . . . . ?
C11 C12 C17 C18 -6.9(4) . . . . ?
C12 C13 C14 C15 -0.2(4) . . . . ?
C12 C17 C18 C19 -53.1(3) . . . . ?
C12 C17 C18 C23 131.0(3) . . . . ?
C13 C12 C17 C16 -1.2(4) . . . . ?
C13 C12 C17 C18 171.5(2) . . . . ?
C13 C14 C15 F15 -179.4(2) . . . . ?
C13 C14 C15 C16 -0.9(4) . . . . ?
C14 C15 C16 C17 0.9(4) . . . . ?
C15 C16 C17 C12 0.2(4) . . . . ?
C15 C16 C17 C18 -172.9(2) . . . . ?
F15 C15 C16 C17 179.4(2) . . . . ?
C16 C17 C18 C19 119.7(3) . . . . ?
C16 C17 C18 C23 -56.2(3) . . . . ?
C17 C12 C13 C14 1.2(4) . . . . ?
C17 C18 C19 C20 -175.1(2) . . . . ?
C17 C18 C23 C22 173.0(2) . . . . ?
C17 C18 C23 C24 -12.9(4) . . . . ?
C18 C19 C20 C21 1.2(4) . . . . ?
C18 C23 C24 P1 -95.4(2) . . . . ?
C19 C18 C23 C22 -2.7(3) . . . . ?
C19 C18 C23 C24 171.4(2) . . . . ?
C19 C20 C21 C22 -1.5(4) . . . . ?
C20 C21 C22 C23 -0.3(4) . . . . ?
C21 C22 C23 C18 2.4(4) . . . . ?
C21 C22 C23 C24 -172.0(2) . . . . ?
C22 C23 C24 P1 78.6(2) . . . . ?
C23 C18 C19 C20 1.0(4) . . . . ?
C24 P1 C25 C26 -62.7(2) . . . . ?
C24 P1 C32 C33 -179.64(18) . . . . ?
C25 P1 C24 C23 -81.50(18) . . . . ?
C25 P1 C32 C33 69.1(2) . . . . ?
C25 C26 C27 C28 -179.0(3) . . . . ?
C25 C26 C31 C30 178.7(3) . . . . ?
C26 C27 C28 C29 -0.4(5) . . . . ?
C27 C26 C31 C30 -2.4(4) . . . . ?
C27 C28 C29 C30 -1.1(5) . . . . ?
C28 C29 C30 C31 0.9(5) . . . . ?
C29 C30 C31 C26 0.9(5) . . . . ?
C31 C26 C27 C28 2.2(4) . . . . ?
C32 P1 C24 C23 169.35(16) . . . . ?
C32 P1 C25 C26 47.9(2) . . . . ?
C32 C33 C34 C35 179.6(3) . . . . ?
C32 C33 C38 C37 -179.8(3) . . . . ?
C33 C34 C35 C36 0.8(5) . . . . ?
C34 C33 C38 C37 1.4(4) . . . . ?
C34 C35 C36 C37 0.3(5) . . . . ?
C35 C36 C37 C38 -0.4(5) . . . . ?
C36 C37 C38 C33 -0.4(5) . . . . ?
C38 C33 C34 C35 -1.6(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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 2.450
_oxdiff_exptl_absorpt_empirical_full_min 0.775
####################################################################### 
# 
# 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_ps34
_database_code_depnum_ccdc_archive 'CCDC 1540381'
_audit_update_record             
;
2017-03-27 deposited with the CCDC.
2017-06-05 downloaded from the CCDC.
;
_audit_creation_date             2016-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H31 Cl F2 N P Pt'
_chemical_formula_sum            'C38 H31 Cl F2 N P Pt'
_chemical_formula_weight         801.15
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H20 F2 N P Pt'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
P P 0.1023 0.0942 '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'

_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                   8.51403(11)
_cell_length_b                   10.31938(18)
_cell_length_c                   18.7511(3)
_cell_angle_alpha                83.1662(13)
_cell_angle_beta                 79.6553(12)
_cell_angle_gamma                76.3618(13)
_cell_volume                     1569.92(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    34593
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.4720
_cell_measurement_theta_min      2.8460
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.646
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61193
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43d (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            54759
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.674
_diffrn_reflns_theta_min         2.396
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.2833
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -4.00  95.00   1.00    5.00    --   20.29  38.00 -60.00   99
  2  ω    -60.00  61.00   1.00    5.00    --   20.29 -19.00 120.00  121
  3  ω     35.00 109.00   1.00    5.00    --   20.29 178.00 150.00   74
  4  ω    -56.00  53.00   1.00    5.00    --   20.29 -77.00-180.00  109
  5  ω    -25.00  20.00   1.00    5.00    --  -21.38 -99.00 -90.00   45
  6  ω    -25.00  20.00   1.00    5.00    --  -21.38 -99.00  60.00   45
  7  ω   -110.00 -57.00   1.00    5.00    --  -21.38-178.00-120.00   53
  8  ω     -8.00  93.00   1.00    5.00    --   20.29  57.00  60.00  101
  9  ω    -54.00  45.00   1.00    5.00    --   20.29 -38.00   0.00   99
 10  ω    -21.00 100.00   1.00    5.00    --   20.29  19.00-180.00  121
 11  ω   -110.00 -57.00   1.00    5.00    --  -21.38-178.00 150.00   53
 12  ω    -25.00  20.00   1.00    5.00    --  -21.38 -99.00   0.00   45
 13  ω    -25.00  20.00   1.00    5.00    --  -21.38 -99.00 150.00   45
 14  ω    -99.00 -57.00   1.00    5.00    --  -21.38 160.00  30.00   42
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0113083000
_diffrn_orient_matrix_UB_12      -0.0253373000
_diffrn_orient_matrix_UB_13      0.0369757000
_diffrn_orient_matrix_UB_21      0.0332584000
_diffrn_orient_matrix_UB_22      0.0511961000
_diffrn_orient_matrix_UB_23      0.0095929000
_diffrn_orient_matrix_UB_31      -0.0793780000
_diffrn_orient_matrix_UB_32      0.0420944000
_diffrn_orient_matrix_UB_33      0.0053758000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10822
_reflns_number_total             11737
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     31.54
_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 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.868
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         11737
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0210
_refine_ls_restrained_S_all      1.017
_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)+(0.0173P)²+0.5814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0422
_refine_ls_wR_factor_ref         0.0435
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C25(H25A,H25B), C32(H32A,H32B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C16(H16), C17(H17), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C27(H27),
  C28(H28), C29(H29), C30(H30), C31(H31), C34(H34), C35(H35), C36(H36),
 C37(H37), C38(H38)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.30311(2) 0.68942(2) 0.68625(2) 0.01437(2) Uani 1 1 d . . . . .
Cl1 Cl 0.35815(6) 0.90847(4) 0.66866(2) 0.02287(8) Uani 1 1 d . . . . .
C1 C 0.24818(19) 0.51143(16) 0.68798(9) 0.0163(3) Uani 1 1 d . . . . .
P1 P 0.22092(5) 0.72854(4) 0.80348(2) 0.01692(8) Uani 1 1 d . . . . .
C2 C 0.2476(2) 0.40556(17) 0.74173(9) 0.0198(3) Uani 1 1 d . . . . .
H2 H 0.2825 0.4101 0.7865 0.024 Uiso 1 1 calc R . . . .
C3 C 0.1960(2) 0.29427(17) 0.72946(10) 0.0220(3) Uani 1 1 d . . . . .
F3 F 0.19755(15) 0.19296(11) 0.78339(6) 0.0300(3) Uani 1 1 d . . . . .
C4 C 0.1423(2) 0.27872(18) 0.66678(10) 0.0224(3) Uani 1 1 d . . . . .
H4 H 0.1021 0.2025 0.6617 0.027 Uiso 1 1 calc R . . . .
C5 C 0.1498(2) 0.37998(18) 0.61106(10) 0.0203(3) Uani 1 1 d . . . . .
H5 H 0.1170 0.3723 0.5662 0.024 Uiso 1 1 calc R . . . .
C6 C 0.20524(19) 0.49277(17) 0.62061(9) 0.0171(3) Uani 1 1 d . . . . .
C7 C 0.25345(19) 0.58455(17) 0.55879(9) 0.0178(3) Uani 1 1 d . . . . .
N7 N 0.35596(16) 0.65793(14) 0.57356(7) 0.0155(3) Uani 1 1 d . . . . .
C8 C 0.2161(2) 0.59055(18) 0.48926(10) 0.0214(3) Uani 1 1 d . . . . .
H8 H 0.1393 0.5436 0.4800 0.026 Uiso 1 1 calc R . . . .
C9 C 0.2924(2) 0.6661(2) 0.43339(10) 0.0256(4) Uani 1 1 d . . . . .
H9 H 0.2631 0.6761 0.3861 0.031 Uiso 1 1 calc R . . . .
C10 C 0.4108(2) 0.72630(19) 0.44713(10) 0.0230(3) Uani 1 1 d . . . . .
H10 H 0.4702 0.7720 0.4085 0.028 Uiso 1 1 calc R . . . .
C11 C 0.44328(19) 0.71995(17) 0.51813(9) 0.0174(3) Uani 1 1 d . . . . .
C12 C 0.5858(2) 0.76588(17) 0.53230(9) 0.0175(3) Uani 1 1 d . . . . .
C13 C 0.6418(2) 0.86926(17) 0.48793(9) 0.0204(3) Uani 1 1 d . . . . .
H13 H 0.5823 0.9155 0.4508 0.025 Uiso 1 1 calc R . . . .
C14 C 0.7833(2) 0.90561(18) 0.49725(10) 0.0236(4) Uani 1 1 d . . . . .
H14 H 0.8206 0.9770 0.4676 0.028 Uiso 1 1 calc R . . . .
C15 C 0.8677(2) 0.83518(19) 0.55058(11) 0.0237(4) Uani 1 1 d . . . . .
F15 F 1.00686(14) 0.86912(13) 0.56019(7) 0.0339(3) Uani 1 1 d . . . . .
C16 C 0.8187(2) 0.73130(18) 0.59536(10) 0.0222(3) Uani 1 1 d . . . . .
H16 H 0.8809 0.6846 0.6315 0.027 Uiso 1 1 calc R . . . .
C17 C 0.6758(2) 0.69693(17) 0.58610(9) 0.0195(3) Uani 1 1 d . . . . .
H17 H 0.6389 0.6261 0.6165 0.023 Uiso 1 1 calc R . . . .
C18 C 0.1044(2) 0.89796(17) 0.82283(10) 0.0218(3) Uani 1 1 d . . . . .
H18A H 0.0966 0.9062 0.8755 0.026 Uiso 1 1 calc R . . . .
H18B H 0.1691 0.9621 0.7966 0.026 Uiso 1 1 calc R . . . .
C19 C -0.0662(2) 0.94211(18) 0.80394(12) 0.0270(4) Uani 1 1 d . . . . .
C20 C -0.1971(3) 0.9837(2) 0.85856(15) 0.0425(6) Uani 1 1 d . . . . .
H20 H -0.1784 0.9832 0.9071 0.051 Uiso 1 1 calc R . . . .
C21 C -0.3557(3) 1.0263(3) 0.8420(2) 0.0588(8) Uani 1 1 d . . . . .
H21 H -0.4448 1.0524 0.8796 0.071 Uiso 1 1 calc R . . . .
C22 C -0.3834(3) 1.0307(3) 0.7728(2) 0.0622(9) Uani 1 1 d . . . . .
H22 H -0.4916 1.0604 0.7621 0.075 Uiso 1 1 calc R . . . .
C23 C -0.2545(3) 0.9921(3) 0.71750(19) 0.0637(10) Uani 1 1 d . . . . .
H23 H -0.2741 0.9963 0.6689 0.076 Uiso 1 1 calc R . . . .
C24 C -0.0957(3) 0.9470(3) 0.73360(14) 0.0441(6) Uani 1 1 d . . . . .
H24 H -0.0075 0.9194 0.6958 0.053 Uiso 1 1 calc R . . . .
C25 C 0.1051(2) 0.61304(19) 0.86027(10) 0.0245(4) Uani 1 1 d . . . . .
H25A H 0.0386 0.5847 0.8293 0.029 Uiso 1 1 calc R . . . .
H25B H 0.1851 0.5322 0.8749 0.029 Uiso 1 1 calc R . . . .
C26 C -0.0080(2) 0.66212(18) 0.92852(10) 0.0235(4) Uani 1 1 d . . . . .
C27 C 0.0498(3) 0.6778(2) 0.99062(11) 0.0321(5) Uani 1 1 d . . . . .
H27 H 0.1644 0.6575 0.9911 0.038 Uiso 1 1 calc R . . . .
C28 C -0.0570(3) 0.7227(2) 1.05226(11) 0.0369(5) Uani 1 1 d . . . . .
H28 H -0.0148 0.7338 1.0942 0.044 Uiso 1 1 calc R . . . .
C29 C -0.2237(3) 0.7511(2) 1.05312(11) 0.0355(5) Uani 1 1 d . . . . .
H29 H -0.2968 0.7836 1.0949 0.043 Uiso 1 1 calc R . . . .
C30 C -0.2826(3) 0.7316(3) 0.99236(13) 0.0408(6) Uani 1 1 d . . . . .
H30 H -0.3973 0.7479 0.9927 0.049 Uiso 1 1 calc R . . . .
C31 C -0.1751(3) 0.6882(2) 0.93063(11) 0.0349(5) Uani 1 1 d . . . . .
H31 H -0.2176 0.6763 0.8889 0.042 Uiso 1 1 calc R . . . .
C32 C 0.3969(2) 0.72346(19) 0.84876(10) 0.0232(4) Uani 1 1 d . . . . .
H32A H 0.4445 0.8019 0.8298 0.028 Uiso 1 1 calc R . . . .
H32B H 0.3588 0.7298 0.9016 0.028 Uiso 1 1 calc R . . . .
C33 C 0.5276(2) 0.5977(2) 0.83728(10) 0.0233(4) Uani 1 1 d . . . . .
C34 C 0.6493(2) 0.5932(2) 0.77639(11) 0.0273(4) Uani 1 1 d . . . . .
H34 H 0.6524 0.6710 0.7439 0.033 Uiso 1 1 calc R . . . .
C35 C 0.7660(2) 0.4761(2) 0.76280(12) 0.0341(5) Uani 1 1 d . . . . .
H35 H 0.8490 0.4743 0.7214 0.041 Uiso 1 1 calc R . . . .
C36 C 0.7619(3) 0.3621(2) 0.80934(13) 0.0381(5) Uani 1 1 d . . . . .
H36 H 0.8399 0.2813 0.7992 0.046 Uiso 1 1 calc R . . . .
C37 C 0.6438(3) 0.3662(2) 0.87066(13) 0.0375(5) Uani 1 1 d . . . . .
H37 H 0.6419 0.2885 0.9032 0.045 Uiso 1 1 calc R . . . .
C38 C 0.5277(2) 0.4836(2) 0.88483(11) 0.0305(4) Uani 1 1 d . . . . .
H38 H 0.4477 0.4859 0.9274 0.037 Uiso 1 1 calc R . . . .


_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 2.3884(4) . ?
Pt1 C1 1.9947(17) . ?
Pt1 P1 2.2384(4) . ?
Pt1 N7 2.1274(13) . ?
C1 C2 1.396(2) . ?
C1 C6 1.423(2) . ?
P1 C18 1.8374(17) . ?
P1 C25 1.844(2) . ?
P1 C32 1.8382(19) . ?
C2 H2 0.9500 . ?
C2 C3 1.379(3) . ?
C3 F3 1.365(2) . ?
C3 C4 1.374(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.391(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.396(2) . ?
C6 C7 1.470(2) . ?
C7 N7 1.364(2) . ?
C7 C8 1.388(2) . ?
N7 C11 1.353(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.388(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.377(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.399(2) . ?
C11 C12 1.478(2) . ?
C12 C13 1.394(2) . ?
C12 C17 1.400(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.388(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.372(3) . ?
C15 F15 1.359(2) . ?
C15 C16 1.378(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.390(2) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.509(3) . ?
C19 C20 1.394(3) . ?
C19 C24 1.379(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.397(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.353(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.386(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.397(3) . ?
C24 H24 0.9500 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.517(2) . ?
C26 C27 1.383(3) . ?
C26 C31 1.379(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.389(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.377(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.378(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(3) . ?
C31 H31 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.506(3) . ?
C33 C34 1.394(3) . ?
C33 C38 1.389(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.389(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.382(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.383(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.391(3) . ?
C38 H38 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
C1 Pt1 Cl1 172.43(5) . . ?
C1 Pt1 P1 99.70(5) . . ?
C1 Pt1 N7 79.14(6) . . ?
P1 Pt1 Cl1 86.424(16) . . ?
N7 Pt1 Cl1 94.32(4) . . ?
N7 Pt1 P1 174.23(4) . . ?
C2 C1 Pt1 131.79(13) . . ?
C2 C1 C6 116.64(16) . . ?
C6 C1 Pt1 111.56(12) . . ?
C18 P1 Pt1 116.76(6) . . ?
C18 P1 C25 105.94(8) . . ?
C18 P1 C32 98.86(9) . . ?
C25 P1 Pt1 116.91(6) . . ?
C32 P1 Pt1 110.78(6) . . ?
C32 P1 C25 105.59(9) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.66(17) . . ?
C3 C2 H2 120.2 . . ?
F3 C3 C2 117.77(17) . . ?
F3 C3 C4 117.77(16) . . ?
C4 C3 C2 124.46(17) . . ?
C3 C4 H4 121.6 . . ?
C3 C4 C5 116.81(17) . . ?
C5 C4 H4 121.6 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.45(17) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C7 115.45(15) . . ?
C5 C6 C1 121.67(16) . . ?
C5 C6 C7 121.81(16) . . ?
N7 C7 C6 113.15(15) . . ?
N7 C7 C8 120.89(16) . . ?
C8 C7 C6 125.65(17) . . ?
C7 N7 Pt1 108.80(10) . . ?
C11 N7 Pt1 129.91(12) . . ?
C11 N7 C7 119.60(14) . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.13(17) . . ?
C9 C8 H8 120.4 . . ?
C8 C9 H9 120.3 . . ?
C10 C9 C8 119.34(17) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.78(17) . . ?
C11 C10 H10 120.1 . . ?
N7 C11 C10 120.27(16) . . ?
N7 C11 C12 118.88(15) . . ?
C10 C11 C12 120.43(16) . . ?
C13 C12 C11 120.64(16) . . ?
C13 C12 C17 119.10(16) . . ?
C17 C12 C11 119.96(15) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 120.93(17) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 121.0 . . ?
C15 C14 C13 117.95(17) . . ?
C15 C14 H14 121.0 . . ?
C14 C15 C16 123.47(17) . . ?
F15 C15 C14 118.68(17) . . ?
F15 C15 C16 117.84(17) . . ?
C15 C16 H16 121.0 . . ?
C15 C16 C17 118.04(17) . . ?
C17 C16 H16 121.0 . . ?
C12 C17 H17 119.8 . . ?
C16 C17 C12 120.49(16) . . ?
C16 C17 H17 119.8 . . ?
P1 C18 H18A 107.7 . . ?
P1 C18 H18B 107.7 . . ?
H18A C18 H18B 107.1 . . ?
C19 C18 P1 118.39(13) . . ?
C19 C18 H18A 107.7 . . ?
C19 C18 H18B 107.7 . . ?
C20 C19 C18 119.2(2) . . ?
C24 C19 C18 121.80(18) . . ?
C24 C19 C20 119.0(2) . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0(3) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(3) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.3(2) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.7(3) . . ?
C24 C23 H23 120.2 . . ?
C19 C24 C23 120.4(2) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
P1 C25 H25A 107.7 . . ?
P1 C25 H25B 107.7 . . ?
H25A C25 H25B 107.1 . . ?
C26 C25 P1 118.44(13) . . ?
C26 C25 H25A 107.7 . . ?
C26 C25 H25B 107.7 . . ?
C27 C26 C25 122.50(18) . . ?
C31 C26 C25 119.66(18) . . ?
C31 C26 C27 117.80(18) . . ?
C26 C27 H27 119.5 . . ?
C26 C27 C28 121.1(2) . . ?
C28 C27 H27 119.5 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.5(2) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 120.6 . . ?
C28 C29 C30 118.86(19) . . ?
C30 C29 H29 120.6 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.3(2) . . ?
C31 C30 H30 119.9 . . ?
C26 C31 C30 121.4(2) . . ?
C26 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
P1 C32 H32A 109.1 . . ?
P1 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C33 C32 P1 112.57(13) . . ?
C33 C32 H32A 109.1 . . ?
C33 C32 H32B 109.1 . . ?
C34 C33 C32 119.64(18) . . ?
C38 C33 C32 121.64(17) . . ?
C38 C33 C34 118.69(18) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.6(2) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(2) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.7(2) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.3(2) . . ?
C38 C37 H37 119.9 . . ?
C33 C38 C37 120.56(19) . . ?
C33 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?

_shelx_SHELXL_version_number     2014/7
_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 1.441
_oxdiff_exptl_absorpt_empirical_full_min 0.800
