# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_cn10
_database_code_depnum_ccdc_archive 'CCDC 1055262'
_audit_update_record             
;
2015-03-20 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H16 Cl3 F2 N O Pt S'
_chemical_formula_weight         657.84

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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   2(1)

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

_cell_length_a                   5.897(2)
_cell_length_b                   13.924(5)
_cell_length_c                   12.852(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.001(10)
_cell_angle_gamma                90.00
_cell_volume                     1049.4(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    6314
_cell_measurement_theta_min      3
_cell_measurement_theta_max      20

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.082
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             628
_exptl_absorpt_coefficient_mu    7.196
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.49
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_exptl_special_details           
;
  The temperature of the crystal was controlled using the Oxford Cryosystem
Cryostream Cooler (Cosier & Glazer, 1986).
The data collection nominally covered over a hemisphere of reciprocal
space, by a combination of three sets of exposures with
different φ angles for the crystal; each 10 s exposure covered 0.3° in ω.
The crystal-to-detector distance was 5.0 cm.  Coverage of the unique set
is over 97% complete to at least 26° in θ.
Crystal decay was found to be negligible by by repeating the initial frames at t
data collection and analyzing the duplicate reflections.
 
Hydrogen atoms were added at calculated positions and refined using a
riding model.  Anisotropic displacement parameters were used for all non-H atoms
H-atoms were given isotropic displacement parameter equal to 1.2 (or 1.5 for met
atoms) times the equivalent isotropic displacement parameter of the atom
to which they are attached.
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Siemens SMART diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.192
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        nil
_diffrn_reflns_number            6529
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.16
_diffrn_reflns_theta_max         28.81
_reflns_number_total             3773
_reflns_number_gt                3532
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Siemens, 1994)'
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0280P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0002(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(8)
_refine_ls_number_reflns         3773
_refine_ls_number_parameters     266
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0648
_refine_ls_wR_factor_gt          0.0642
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.01564(3) 0.73841(3) 0.701481(15) 0.01894(8) Uani 1 1 d . . .
F1 F -0.7275(8) 0.5097(4) 0.8155(4) 0.0446(13) Uani 1 1 d . . .
C1 C -0.5832(14) 0.5842(6) 0.8375(6) 0.0314(17) Uani 1 1 d . . .
C2 C -0.4305(13) 0.6074(6) 0.7662(6) 0.0287(17) Uani 1 1 d . . .
H2A H -0.4349 0.5727 0.7024 0.034 Uiso 1 1 calc R . .
C3 C -0.2698(12) 0.6811(5) 0.7867(5) 0.0247(15) Uani 1 1 d . . .
C4 C -0.2774(11) 0.7310(11) 0.8821(5) 0.0278(17) Uani 1 1 d . . .
C5 C -0.4372(14) 0.7075(6) 0.9506(6) 0.033(2) Uani 1 1 d . . .
H5A H -0.4416 0.7437 1.0130 0.040 Uiso 1 1 calc R . .
C6 C -0.5899(14) 0.6323(6) 0.9297(6) 0.0338(19) Uani 1 1 d . . .
H6A H -0.6951 0.6151 0.9777 0.041 Uiso 1 1 calc R . .
C7 C -0.1088(14) 0.8065(5) 0.9067(6) 0.0288(17) Uani 1 1 d . . .
N8 N 0.0292(10) 0.8211(4) 0.8313(4) 0.0234(13) Uani 1 1 d . . .
C9 C 0.2030(14) 0.8844(5) 0.8402(6) 0.0297(17) Uani 1 1 d . . .
C10 C 0.2437(17) 0.9397(6) 0.9308(7) 0.039(2) Uani 1 1 d . . .
H10A H 0.3669 0.9840 0.9388 0.047 Uiso 1 1 calc R . .
C11 C 0.1014(19) 0.9287(7) 1.0085(6) 0.045(2) Uani 1 1 d . . .
H11A H 0.1243 0.9661 1.0705 0.054 Uiso 1 1 calc R . .
C12 C -0.0743(17) 0.8630(7) 0.9958(6) 0.041(2) Uani 1 1 d . . .
H12A H -0.1735 0.8563 1.0491 0.050 Uiso 1 1 calc R . .
C13 C 0.3246(14) 0.8888(5) 0.7444(6) 0.0300(17) Uani 1 1 d . . .
C14 C 0.2447(12) 0.8267(5) 0.6626(6) 0.0242(15) Uani 1 1 d . . .
C15 C 0.3472(12) 0.8351(5) 0.5698(6) 0.0260(15) Uani 1 1 d . . .
H15A H 0.2941 0.7983 0.5099 0.031 Uiso 1 1 calc R . .
F16 F 0.6204(10) 0.9047(4) 0.4720(4) 0.0524(15) Uani 1 1 d . . .
C16 C 0.5291(15) 0.8985(6) 0.5671(7) 0.037(2) Uani 1 1 d . . .
C17 C 0.6161(15) 0.9546(6) 0.6466(7) 0.037(2) Uani 1 1 d . . .
H17A H 0.7447 0.9946 0.6407 0.045 Uiso 1 1 calc R . .
C18 C 0.5104(15) 0.9513(6) 0.7366(8) 0.036(2) Uani 1 1 d . . .
H18A H 0.5626 0.9913 0.7940 0.044 Uiso 1 1 calc R . .
S20 S -0.0429(3) 0.64434(13) 0.56396(13) 0.0202(3) Uani 1 1 d . . .
O21 O 0.1309(9) 0.6502(4) 0.4900(4) 0.0289(12) Uani 1 1 d . . .
C22 C -0.0424(14) 0.5209(5) 0.5998(6) 0.0290(16) Uani 1 1 d . . .
H22A H -0.0954 0.4820 0.5385 0.044 Uiso 1 1 calc R . .
H22B H -0.1443 0.5113 0.6545 0.044 Uiso 1 1 calc R . .
H22C H 0.1127 0.5015 0.6263 0.044 Uiso 1 1 calc R . .
C23 C -0.3105(13) 0.6558(6) 0.4889(6) 0.0313(17) Uani 1 1 d . . .
H23A H -0.3247 0.6065 0.4341 0.047 Uiso 1 1 calc R . .
H23B H -0.3225 0.7196 0.4566 0.047 Uiso 1 1 calc R . .
H23C H -0.4325 0.6475 0.5344 0.047 Uiso 1 1 calc R . .
C01 C 0.1378(14) 0.7110(6) 1.2628(6) 0.034(2) Uani 1 1 d . . .
H01A H 0.1577 0.6776 1.3321 0.041 Uiso 1 1 calc R . .
Cl1 Cl 0.0056(5) 0.63166(19) 1.1707(2) 0.0566(7) Uani 1 1 d . . .
Cl2 Cl -0.0328(5) 0.81326(17) 1.27500(19) 0.0501(6) Uani 1 1 d . . .
Cl3 Cl 0.4077(4) 0.7439(5) 1.22971(17) 0.0731(8) 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
Pt1 N8 2.021(6) . ?
Pt1 C14 2.069(7) . ?
Pt1 C3 2.104(7) . ?
Pt1 S20 2.1922(18) . ?
F1 C1 1.353(9) . ?
C1 C6 1.366(12) . ?
C1 C2 1.388(11) . ?
C2 C3 1.403(11) . ?
C3 C4 1.413(12) . ?
C4 C5 1.394(10) . ?
C4 C7 1.459(15) . ?
C5 C6 1.389(12) . ?
C7 N8 1.345(9) . ?
C7 C12 1.387(11) . ?
N8 C9 1.348(10) . ?
C9 C10 1.395(11) . ?
C9 C13 1.490(12) . ?
C10 C11 1.379(14) . ?
C11 C12 1.379(13) . ?
C13 C14 1.403(11) . ?
C13 C18 1.411(12) . ?
C14 C15 1.397(10) . ?
C15 C16 1.392(11) . ?
F16 C16 1.388(10) . ?
C16 C17 1.345(12) . ?
C17 C18 1.370(13) . ?
S20 O21 1.472(5) . ?
S20 C23 1.768(7) . ?
S20 C22 1.779(7) . ?
C01 Cl1 1.742(8) . ?
C01 Cl3 1.752(9) . ?
C01 Cl2 1.760(8) . ?

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
N8 Pt1 C14 79.9(3) . . ?
N8 Pt1 C3 79.9(3) . . ?
C14 Pt1 C3 159.8(3) . . ?
N8 Pt1 S20 176.28(18) . . ?
C14 Pt1 S20 98.9(2) . . ?
C3 Pt1 S20 101.4(2) . . ?
F1 C1 C6 118.8(7) . . ?
F1 C1 C2 118.6(7) . . ?
C6 C1 C2 122.6(8) . . ?
C1 C2 C3 121.3(7) . . ?
C2 C3 C4 116.1(7) . . ?
C2 C3 Pt1 133.1(6) . . ?
C4 C3 Pt1 110.7(6) . . ?
C5 C4 C3 121.2(10) . . ?
C5 C4 C7 121.5(8) . . ?
C3 C4 C7 117.4(7) . . ?
C6 C5 C4 121.5(8) . . ?
C1 C6 C5 117.4(7) . . ?
N8 C7 C12 117.5(8) . . ?
N8 C7 C4 113.7(6) . . ?
C12 C7 C4 128.7(8) . . ?
C7 N8 C9 123.3(7) . . ?
C7 N8 Pt1 118.2(5) . . ?
C9 N8 Pt1 118.4(5) . . ?
N8 C9 C10 119.7(8) . . ?
N8 C9 C13 112.5(7) . . ?
C10 C9 C13 127.7(8) . . ?
C11 C10 C9 118.6(8) . . ?
C10 C11 C12 119.7(8) . . ?
C11 C12 C7 121.2(8) . . ?
C14 C13 C18 121.9(8) . . ?
C14 C13 C9 116.2(7) . . ?
C18 C13 C9 121.9(7) . . ?
C15 C14 C13 116.5(7) . . ?
C15 C14 Pt1 130.8(6) . . ?
C13 C14 Pt1 112.6(6) . . ?
C16 C15 C14 118.5(7) . . ?
C17 C16 F16 118.7(8) . . ?
C17 C16 C15 125.6(8) . . ?
F16 C16 C15 115.6(8) . . ?
C16 C17 C18 116.8(8) . . ?
C17 C18 C13 120.4(8) . . ?
O21 S20 C23 106.5(3) . . ?
O21 S20 C22 103.8(3) . . ?
C23 S20 C22 101.9(4) . . ?
O21 S20 Pt1 119.4(2) . . ?
C23 S20 Pt1 111.9(3) . . ?
C22 S20 Pt1 111.7(3) . . ?
Cl1 C01 Cl3 110.8(5) . . ?
Cl1 C01 Cl2 110.8(4) . . ?
Cl3 C01 Cl2 110.6(5) . . ?

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
C15 H15A O21 0.95 2.28 3.006(9) 132.8 .
C12 H12A Cl2 0.95 3.00 3.637(8) 126.1 .
C6 H6A Cl1 0.95 3.20 4.102(8) 159.3 1_455
C23 H23C O21 0.98 2.58 3.297(9) 130.2 1_455
C01 H01A O21 1.00 2.09 3.044(9) 159.4 1_556
C22 H22C F1 0.98 2.52 3.175(9) 124.3 1_655
C23 H23B Cl3 0.98 3.19 3.769(8) 119.4 1_454
C11 H11A F1 0.95 2.95 3.506(11) 118.6 2_457
C12 H12A F1 0.95 2.85 3.465(10) 123.1 2_457
C22 H22C Cl2 0.98 2.97 3.316(8) 102.0 2_547
C17 H17A O21 0.95 2.88 3.643(10) 137.8 2_656
C17 H17A Cl1 0.95 3.31 3.933(9) 125.3 2_657
C18 H18A Cl1 0.95 3.20 3.894(8) 131.0 2_657
C23 H23B F16 0.98 2.61 3.495(11) 150.2 1_455
C22 H22C F16 0.98 2.51 3.185(9) 125.8 2_646

_diffrn_measured_fraction_theta_max 0.922
_diffrn_reflns_theta_full        28.81
_diffrn_measured_fraction_theta_full 0.922
_refine_diff_density_max         1.691
_refine_diff_density_min         -1.107
_refine_diff_density_rms         0.132
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: chloroform'
####################################################################### 
# 
# 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_jp2
_database_code_depnum_ccdc_archive 'CCDC 1055263'
_audit_update_record             
;
2015-03-20 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H18 F2 N P Pt'
_chemical_formula_sum            'C20 H18 F2 N P Pt'
_chemical_formula_weight         536.41

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'
N N 0.0061 0.0033 '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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  '-C 2yc'

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

_cell_length_a                   23.9938(6)
_cell_length_b                   12.5106(3)
_cell_length_c                   12.1687(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.325(3)
_cell_angle_gamma                90.00
_cell_volume                     3487.04(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    19060
_cell_measurement_theta_min      3.11
_cell_measurement_theta_max      37.61

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.044
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2048
_exptl_absorpt_coefficient_mu    8.161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   'ABSPACK(CrysAlis, Oxford Diffraction)'

_exptl_special_details           
; 
  The temperature of the crystal was controlled using the Oxford 
Cryosystem Cobra. 
The data collection nominally covered over a hemisphere of 
Reciprocal space, by a combination of six sets of exposures with 
different φ angles for the crystal; each 25 s exposure covered 
1.0° in ω. 
The crystal-to-detector distance was 5.5 cm. 
Crystal decay was found to be negligible by repeating the initial 
frames at the end of data collection and analyzing the duplicate 
reflections. 
  
Hydrogen atoms were added at calculated positions and refined using 
a riding model.  Anisotropic displacement parameters were used for all 
non-H atoms; H-atoms were given isotropic displacement parameter equal 
to 1.2 (or 1.5 for methyl H-atoms) times the equivalent isotropic 
displacement parameter of the atom to which they are attached. 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_detector_area_resol_mean 10.2833
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        nil
_diffrn_reflns_number            33119
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.13
_diffrn_reflns_theta_max         37.64
_reflns_number_total             8858
_reflns_number_gt                7851
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0185P)²+0.6670P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8858
_refine_ls_number_parameters     229
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0214
_refine_ls_wR_factor_ref         0.0484
_refine_ls_wR_factor_gt          0.0461
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.316815(2) 0.089073(5) 0.501772(5) 0.01220(2) Uani 1 1 d . . .
P1 P 0.365635(19) -0.04311(4) 0.61168(4) 0.01576(8) Uani 1 1 d . . .
C1 C 0.23050(7) 0.03857(14) 0.45720(15) 0.0149(3) Uani 1 1 d . . .
C2 C 0.20201(8) -0.04289(16) 0.49825(17) 0.0195(3) Uani 1 1 d . . .
H2 H 0.2240 -0.0879 0.5584 0.023 Uiso 1 1 calc R . .
F3 F 0.11721(5) -0.13872(12) 0.49792(13) 0.0323(3) Uani 1 1 d . . .
C3 C 0.14264(8) -0.05919(16) 0.45317(19) 0.0210(4) Uani 1 1 d . . .
C4 C 0.10719(8) 0.00252(17) 0.36552(18) 0.0224(4) Uani 1 1 d . . .
H4 H 0.0666 -0.0119 0.3348 0.027 Uiso 1 1 calc R . .
C5 C 0.13314(8) 0.08595(15) 0.32455(18) 0.0198(4) Uani 1 1 d . . .
H5 H 0.1102 0.1307 0.2651 0.024 Uiso 1 1 calc R . .
C6 C 0.19321(7) 0.10488(14) 0.37031(16) 0.0157(3) Uani 1 1 d . . .
N7 N 0.27854(6) 0.20464(12) 0.38815(13) 0.0134(2) Uani 1 1 d . . .
C7 C 0.22092(7) 0.19647(14) 0.33202(15) 0.0145(3) Uani 1 1 d . . .
C8 C 0.19454(8) 0.27175(16) 0.24829(16) 0.0198(3) Uani 1 1 d . . .
H8 H 0.1540 0.2675 0.2083 0.024 Uiso 1 1 calc R . .
C9 C 0.22869(8) 0.35353(16) 0.22427(17) 0.0204(3) Uani 1 1 d . . .
H9 H 0.2113 0.4053 0.1673 0.024 Uiso 1 1 calc R . .
C10 C 0.28766(8) 0.35982(15) 0.28271(16) 0.0178(3) Uani 1 1 d . . .
H10 H 0.3108 0.4157 0.2665 0.021 Uiso 1 1 calc R . .
C11 C 0.31251(7) 0.28302(14) 0.36564(15) 0.0146(3) Uani 1 1 d . . .
C12 C 0.37431(7) 0.27248(15) 0.43322(15) 0.0157(3) Uani 1 1 d . . .
C13 C 0.41574(8) 0.34672(16) 0.42276(17) 0.0210(4) Uani 1 1 d . . .
H13 H 0.4044 0.4038 0.3693 0.025 Uiso 1 1 calc R . .
C14 C 0.47370(8) 0.33769(17) 0.49025(19) 0.0241(4) Uani 1 1 d . . .
H14 H 0.5026 0.3867 0.4831 0.029 Uiso 1 1 calc R . .
F15 F 0.54314(5) 0.24571(11) 0.63745(11) 0.0273(3) Uani 1 1 d . . .
C15 C 0.48709(7) 0.25497(16) 0.56739(17) 0.0203(4) Uani 1 1 d . . .
C16 C 0.44704(7) 0.17885(15) 0.57856(16) 0.0184(3) Uani 1 1 d . . .
H16 H 0.4593 0.1227 0.6330 0.022 Uiso 1 1 calc R . .
C17 C 0.38877(7) 0.18399(14) 0.51057(15) 0.0145(3) Uani 1 1 d . . .
C18 C 0.32874(9) -0.16582(17) 0.6269(2) 0.0260(4) Uani 1 1 d . . .
H18A H 0.3017 -0.1521 0.6718 0.039 Uiso 1 1 calc R . .
H18B H 0.3576 -0.2192 0.6665 0.039 Uiso 1 1 calc R . .
H18C H 0.3069 -0.1926 0.5505 0.039 Uiso 1 1 calc R . .
C19 C 0.40194(9) -0.01125(19) 0.76187(16) 0.0254(4) Uani 1 1 d . . .
H19A H 0.4220 0.0576 0.7668 0.038 Uiso 1 1 calc R . .
H19B H 0.4304 -0.0672 0.7959 0.038 Uiso 1 1 calc R . .
H19C H 0.3729 -0.0070 0.8038 0.038 Uiso 1 1 calc R . .
C20 C 0.42339(9) -0.09582(16) 0.55834(19) 0.0222(4) Uani 1 1 d . . .
H20A H 0.4061 -0.1334 0.4855 0.033 Uiso 1 1 calc R . .
H20B H 0.4475 -0.1457 0.6149 0.033 Uiso 1 1 calc R . .
H20C H 0.4477 -0.0368 0.5459 0.033 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 N7 2.0223(14) . ?
Pt1 C17 2.0718(17) . ?
Pt1 C1 2.0768(16) . ?
Pt1 P1 2.2277(5) . ?
P1 C18 1.809(2) . ?
P1 C19 1.8193(19) . ?
P1 C20 1.820(2) . ?
C1 C2 1.400(3) . ?
C1 C6 1.429(2) . ?
C2 C3 1.381(3) . ?
C2 H2 0.9500 . ?
F3 C3 1.363(2) . ?
C3 C4 1.385(3) . ?
C4 C5 1.382(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.402(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.469(3) . ?
N7 C7 1.351(2) . ?
N7 C11 1.354(2) . ?
C7 C8 1.393(2) . ?
C8 C9 1.395(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.384(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.392(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.472(2) . ?
C12 C13 1.394(3) . ?
C12 C17 1.427(2) . ?
C13 C14 1.393(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.370(3) . ?
C14 H14 0.9500 . ?
F15 C15 1.366(2) . ?
C15 C16 1.388(3) . ?
C16 C17 1.398(2) . ?
C16 H16 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 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
N7 Pt1 C17 80.06(6) . . ?
N7 Pt1 C1 79.89(6) . . ?
C17 Pt1 C1 159.83(7) . . ?
N7 Pt1 P1 172.66(4) . . ?
C17 Pt1 P1 96.51(5) . . ?
C1 Pt1 P1 103.66(5) . . ?
C18 P1 C19 100.71(11) . . ?
C18 P1 C20 100.18(10) . . ?
C19 P1 C20 104.48(10) . . ?
C18 P1 Pt1 120.36(7) . . ?
C19 P1 Pt1 116.70(7) . . ?
C20 P1 Pt1 112.02(7) . . ?
C2 C1 C6 114.95(15) . . ?
C2 C1 Pt1 133.11(13) . . ?
C6 C1 Pt1 111.87(12) . . ?
C3 C2 C1 121.44(18) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
F3 C3 C2 118.74(18) . . ?
F3 C3 C4 118.00(16) . . ?
C2 C3 C4 123.25(18) . . ?
C5 C4 C3 117.35(17) . . ?
C5 C4 H4 121.3 . . ?
C3 C4 H4 121.3 . . ?
C4 C5 C6 120.30(18) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 122.61(17) . . ?
C5 C6 C7 120.98(16) . . ?
C1 C6 C7 116.40(15) . . ?
C7 N7 C11 122.65(15) . . ?
C7 N7 Pt1 118.65(12) . . ?
C11 N7 Pt1 118.54(11) . . ?
N7 C7 C8 119.46(16) . . ?
N7 C7 C6 112.98(15) . . ?
C8 C7 C6 127.55(16) . . ?
C7 C8 C9 118.80(16) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 H8 120.6 . . ?
C10 C9 C8 120.56(17) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C11 119.01(17) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
N7 C11 C10 119.51(15) . . ?
N7 C11 C12 112.90(15) . . ?
C10 C11 C12 127.55(16) . . ?
C13 C12 C17 122.50(16) . . ?
C13 C12 C11 121.10(17) . . ?
C17 C12 C11 116.39(15) . . ?
C14 C13 C12 120.40(18) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C15 C14 C13 117.04(18) . . ?
C15 C14 H14 121.5 . . ?
C13 C14 H14 121.5 . . ?
F15 C15 C14 118.58(17) . . ?
F15 C15 C16 117.54(18) . . ?
C14 C15 C16 123.88(17) . . ?
C15 C16 C17 120.67(17) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C12 115.45(16) . . ?
C16 C17 Pt1 132.48(14) . . ?
C12 C17 Pt1 112.04(11) . . ?
P1 C18 H18A 109.5 . . ?
P1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
P1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P1 C19 H19A 109.5 . . ?
P1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
P1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P1 C20 H20A 109.5 . . ?
P1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
P1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.956
_diffrn_reflns_theta_full        29.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.653
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.141
####################################################################### 
# 
# 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_ps2
_database_code_depnum_ccdc_archive 'CCDC 1055264'
_audit_update_record             
;
2015-03-20 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;
_audit_creation_date             2014-01-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2853 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C29 H36 Cl2 F2 N P Pt'
_chemical_formula_sum            'C29 H36 Cl2 F2 N P Pt'
_chemical_formula_weight         733.55
_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 0.0033 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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   14.9738(3)
_cell_length_b                   15.8809(4)
_cell_length_c                   24.6498(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5861.7(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    12617
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.9770
_cell_measurement_theta_min      3.3080
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.056
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.003
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            45707
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         31.168
_diffrn_reflns_theta_min         3.008
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.2833
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0028563000
_diffrn_orient_matrix_UB_12      0.0445516000
_diffrn_orient_matrix_UB_13      0.0009366000
_diffrn_orient_matrix_UB_21      0.0195267000
_diffrn_orient_matrix_UB_22      0.0001407000
_diffrn_orient_matrix_UB_23      -0.0262412000
_diffrn_orient_matrix_UB_31      -0.0430238000
_diffrn_orient_matrix_UB_32      0.0030406000
_diffrn_orient_matrix_UB_33      -0.0118353000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6926
_reflns_number_total             8857
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.64
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS-2013 (Sheldrick, 2008)'
_refine_diff_density_max         1.166
_refine_diff_density_min         -1.423
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         8857
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0309
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0185P)²+8.0820P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0611
_refine_special_details          
;
In the chain terminating with C25,  the terminal C25 was modelled as disordered 
over two positions and refined to a ratio 53:47. In the chain terminating with C29,  
the terminal atoms C28 and C29 were modelled as disordered over two positions and 
also refined to a ratio 53:47. Several SIMU and DELU restraints were used to give 
the disordered components reasonable thermal parameters
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C27, C28A, C29A
 with sigma for 1-2 distances of 0.008 and sigma for 1-3 distances of 1.7
 C23, C24, C25, C25A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 1.7
3. Uiso/Uaniso restraints and constraints
C27 \\sim C28A \\sim C29A: within 1.7A with sigma of 0.002 and sigma for
terminal atoms of 0.008
C23 \\sim C24 \\sim C25 \\sim C25A: within 1.7A with sigma of 0.002 and sigma
for terminal atoms of 0.008
Uanis(C29) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.016
4. Others
 Sof(H24C)=Sof(H24D)=Sof(C25A)=Sof(H25D)=Sof(H25E)=Sof(H25F)=Sof(H27C)=
 Sof(H27D)=1-FVAR(1)
 Sof(H24A)=Sof(H24B)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=Sof(H27A)=
 Sof(H27B)=Sof(C28)=FVAR(1)
 Sof(C28A)=Sof(H28C)=Sof(H28D)=Sof(C29A)=Sof(H29D)=Sof(H29E)=Sof(H29F)=1-FVAR(2)
 Sof(H28A)=Sof(H28B)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B), C22(H22A,H22B), C23(H23A,
 H23B), C24(H24A,H24B), C24(H24C,H24D), C26(H26A,H26B), C27(H27A,H27B),
 C27(H27C,H27D), C28(H28A,H28B), C28A(H28C,H28D)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C14(H14), C16(H16), C17(H17)
5.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C25(H25A,H25B,H25C), C25A(H25D,H25E,H25F), C29(H29A,H29B,
 H29C), C29A(H29D,H29E,H29F)
;
_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 0.0640(2) 0.19055(17) 0.22478(13) 0.0200(6) Uani 1 1 d . . . . .
Cl1 Cl 0.18392(5) 0.30923(4) 0.29371(3) 0.02347(16) Uani 1 1 d . . . . .
P1 P 0.07422(5) 0.03224(5) 0.30140(3) 0.01982(16) Uani 1 1 d . . . . .
Pt1 Pt 0.12556(2) 0.16800(2) 0.29837(2) 0.01611(4) Uani 1 1 d . . . . .
C2 C 0.0959(2) 0.18072(19) 0.17216(14) 0.0252(7) Uani 1 1 d . . . . .
H2 H 0.1548 0.1609 0.1657 0.030 Uiso 1 1 calc R . . . .
Cl2 Cl 0.25793(5) 0.10965(5) 0.26560(3) 0.02463(16) Uani 1 1 d . . . . .
C3 C 0.0396(2) 0.2006(2) 0.12960(14) 0.0313(8) Uani 1 1 d . . . . .
F3 F 0.07123(15) 0.18913(16) 0.07806(9) 0.0466(6) Uani 1 1 d . . . . .
C4 C -0.0463(2) 0.2292(2) 0.13600(15) 0.0303(8) Uani 1 1 d . . . . .
H4 H -0.0828 0.2410 0.1054 0.036 Uiso 1 1 calc R . . . .
C5 C -0.0782(2) 0.24058(19) 0.18821(14) 0.0238(7) Uani 1 1 d . . . . .
H5 H -0.1372 0.2607 0.1939 0.029 Uiso 1 1 calc R . . . .
C6 C -0.02366(19) 0.22240(17) 0.23238(13) 0.0200(6) Uani 1 1 d . . . . .
C7 C -0.05237(19) 0.23395(17) 0.28908(13) 0.0193(6) Uani 1 1 d . . . . .
N7 N 0.01174(15) 0.21484(14) 0.32579(11) 0.0181(5) Uani 1 1 d . . . . .
C8 C -0.13447(19) 0.26137(19) 0.30824(14) 0.0236(7) Uani 1 1 d . . . . .
H8 H -0.1812 0.2752 0.2837 0.028 Uiso 1 1 calc R . . . .
C9 C -0.1470(2) 0.26826(19) 0.36354(15) 0.0276(7) Uani 1 1 d . . . . .
H9 H -0.2037 0.2854 0.3769 0.033 Uiso 1 1 calc R . . . .
C10 C -0.0793(2) 0.25093(19) 0.40020(14) 0.0257(7) Uani 1 1 d . . . . .
H10 H -0.0885 0.2575 0.4381 0.031 Uiso 1 1 calc R . . . .
C11 C 0.0024(2) 0.22375(18) 0.38022(13) 0.0214(6) Uani 1 1 d . . . . .
C12 C 0.0836(2) 0.20197(19) 0.41121(14) 0.0240(7) Uani 1 1 d . . . . .
C13 C 0.1561(2) 0.16960(18) 0.38044(13) 0.0211(6) Uani 1 1 d . . . . .
C14 C 0.2354(2) 0.1513(2) 0.40717(14) 0.0271(7) Uani 1 1 d . . . . .
H14 H 0.2852 0.1294 0.3879 0.033 Uiso 1 1 calc R . . . .
C15 C 0.2404(2) 0.1655(2) 0.46234(16) 0.0368(9) Uani 1 1 d . . . . .
F15 F 0.31905(15) 0.14895(17) 0.48804(10) 0.0540(6) Uani 1 1 d . . . . .
C16 C 0.1711(3) 0.1961(3) 0.49259(16) 0.0396(9) Uani 1 1 d . . . . .
H16 H 0.1775 0.2044 0.5306 0.047 Uiso 1 1 calc R . . . .
C17 C 0.0913(2) 0.2148(2) 0.46691(15) 0.0341(8) Uani 1 1 d . . . . .
H17 H 0.0423 0.2363 0.4871 0.041 Uiso 1 1 calc R . . . .
C18 C 0.0744(2) -0.01795(19) 0.23548(14) 0.0274(7) Uani 1 1 d . . . . .
H18A H 0.1274 0.0023 0.2154 0.033 Uiso 1 1 calc R . . . .
H18B H 0.0821 -0.0792 0.2411 0.033 Uiso 1 1 calc R . . . .
C19 C -0.0078(2) -0.0049(2) 0.19909(14) 0.0283(7) Uani 1 1 d . . . . .
H19A H -0.0589 -0.0369 0.2141 0.034 Uiso 1 1 calc R . . . .
H19B H -0.0242 0.0555 0.1988 0.034 Uiso 1 1 calc R . . . .
C20 C 0.0103(3) -0.0339(2) 0.14151(16) 0.0428(10) Uani 1 1 d . . . . .
H20A H 0.0599 0.0000 0.1264 0.051 Uiso 1 1 calc R . . . .
H20B H 0.0299 -0.0934 0.1424 0.051 Uiso 1 1 calc R . . . .
C21 C -0.0693(3) -0.0264(3) 0.10450(19) 0.0543(11) Uani 1 1 d . . . . .
H21A H -0.0536 -0.0477 0.0684 0.081 Uiso 1 1 calc GR . . . .
H21B H -0.0872 0.0328 0.1018 0.081 Uiso 1 1 calc GR . . . .
H21C H -0.1189 -0.0596 0.1192 0.081 Uiso 1 1 calc GR . . . .
C22 C 0.1443(2) -0.0342(2) 0.34425(15) 0.0282(7) Uani 1 1 d . . . . .
H22A H 0.1436 -0.0920 0.3291 0.034 Uiso 1 1 calc R . . . .
H22B H 0.2065 -0.0133 0.3418 0.034 Uiso 1 1 calc R . . . .
C23 C 0.1189(2) -0.0394(2) 0.40421(16) 0.0379(7) Uani 1 1 d . U . . .
H23A H 0.1114 0.0181 0.4189 0.045 Uiso 1 1 calc R . . . .
H23B H 0.0611 -0.0692 0.4079 0.045 Uiso 1 1 calc R . . . .
C24 C 0.1901(3) -0.0858(3) 0.43695(17) 0.0443(8) Uani 1 1 d . U . . .
H24A H 0.2107 -0.1354 0.4160 0.053 Uiso 0.535(13) 1 calc R . P A 1
H24B H 0.2419 -0.0481 0.4423 0.053 Uiso 0.535(13) 1 calc R . P A 1
H24C H 0.2487 -0.0585 0.4313 0.053 Uiso 0.465(13) 1 calc R . P A 2
H24D H 0.1945 -0.1447 0.4241 0.053 Uiso 0.465(13) 1 calc R . P A 2
C25 C 0.1567(10) -0.1147(8) 0.4914(6) 0.054(2) Uani 0.535(13) 1 d . U P A 1
H25A H 0.1299 -0.0670 0.5107 0.081 Uiso 0.535(13) 1 calc GR . P A 1
H25B H 0.2066 -0.1371 0.5126 0.081 Uiso 0.535(13) 1 calc GR . P A 1
H25C H 0.1116 -0.1588 0.4863 0.081 Uiso 0.535(13) 1 calc GR . P A 1
C25A C 0.1672(12) -0.0853(10) 0.4979(7) 0.058(2) Uani 0.465(13) 1 d . U P A 2
H25D H 0.1685 -0.0273 0.5114 0.087 Uiso 0.465(13) 1 calc GR . P A 2
H25E H 0.2111 -0.1192 0.5177 0.087 Uiso 0.465(13) 1 calc GR . P A 2
H25F H 0.1074 -0.1090 0.5033 0.087 Uiso 0.465(13) 1 calc GR . P A 2
C26 C -0.0389(2) 0.02492(19) 0.32670(15) 0.0259(7) Uani 1 1 d . . . . .
H26A H -0.0409 0.0490 0.3637 0.031 Uiso 1 1 calc R . . . .
H26B H -0.0783 0.0595 0.3034 0.031 Uiso 1 1 calc R . . . .
C27 C -0.0756(2) -0.0657(2) 0.32853(16) 0.0314(7) Uani 1 1 d . U . . .
H27A H -0.1069 -0.0777 0.2940 0.038 Uiso 0.535(13) 1 calc R . P A 1
H27B H -0.0250 -0.1055 0.3316 0.038 Uiso 0.535(13) 1 calc R . P A 1
H27C H -0.0496 -0.0953 0.3601 0.038 Uiso 0.465(13) 1 calc R . P A 2
H27D H -0.0566 -0.0959 0.2954 0.038 Uiso 0.465(13) 1 calc R . P A 2
C28 C -0.1391(4) -0.0807(4) 0.3750(3) 0.038(2) Uani 0.535(13) 1 d . . P A 1
H28A H -0.1536 -0.1415 0.3760 0.045 Uiso 0.535(9) 1 calc R . P B 1
H28B H -0.1076 -0.0669 0.4092 0.045 Uiso 0.535(9) 1 calc R . P B 1
C29 C -0.2194(15) -0.0355(10) 0.3738(10) 0.059(5) Uani 0.535(9) 1 d . U P A 1
H29A H -0.2481 -0.0428 0.3384 0.088 Uiso 0.535(9) 1 calc GR . P B 1
H29B H -0.2072 0.0244 0.3799 0.088 Uiso 0.535(9) 1 calc GR . P B 1
H29C H -0.2592 -0.0565 0.4024 0.088 Uiso 0.535(9) 1 calc GR . P B 1
C28A C -0.1784(5) -0.0686(5) 0.3327(4) 0.0325(12) Uani 0.465(9) 1 d . U P A 2
H28C H -0.2038 -0.0484 0.2979 0.039 Uiso 0.465(9) 1 calc R . P B 2
H28D H -0.1970 -0.1280 0.3373 0.039 Uiso 0.465(9) 1 calc R . P B 2
C29A C -0.2192(14) -0.0166(13) 0.3790(10) 0.044(3) Uani 0.465(9) 1 d . U P A 2
H29D H -0.2078 0.0434 0.3725 0.066 Uiso 0.465(9) 1 calc GR . P B 2
H29E H -0.1920 -0.0334 0.4135 0.066 Uiso 0.465(9) 1 calc GR . P B 2
H29F H -0.2837 -0.0265 0.3804 0.066 Uiso 0.465(9) 1 calc GR . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 Pt1 2.066(3) . ?
C1 C2 1.391(4) . ?
C1 C6 1.419(4) . ?
Cl1 Pt1 2.4098(7) . ?
P1 Pt1 2.2901(7) . ?
P1 C18 1.810(3) . ?
P1 C22 1.825(3) . ?
P1 C26 1.808(3) . ?
Pt1 Cl2 2.3324(7) . ?
Pt1 N7 1.979(2) . ?
Pt1 C13 2.074(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.382(5) . ?
C3 F3 1.368(4) . ?
C3 C4 1.374(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.392(4) . ?
C6 C7 1.474(4) . ?
C7 N7 1.354(4) . ?
C7 C8 1.387(4) . ?
N7 C11 1.356(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.380(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.388(4) . ?
C11 C12 1.477(4) . ?
C12 C13 1.420(4) . ?
C12 C17 1.393(5) . ?
C13 C14 1.389(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.381(5) . ?
C15 F15 1.363(4) . ?
C15 C16 1.368(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.384(5) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.537(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.517(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.505(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.529(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.527(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 H24C 0.9900 . ?
C24 H24D 0.9900 . ?
C24 C25 1.503(15) . ?
C24 C25A 1.540(18) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25A H25D 0.9800 . ?
C25A H25E 0.9800 . ?
C25A H25F 0.9800 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.541(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 H27C 0.9900 . ?
C27 H27D 0.9900 . ?
C27 C28 1.507(8) . ?
C27 C28A 1.543(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.40(2) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C28A H28C 0.9900 . ?
C28A H28D 0.9900 . ?
C28A C29A 1.54(2) . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 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
C2 C1 Pt1 130.3(2) . . ?
C2 C1 C6 118.7(3) . . ?
C6 C1 Pt1 111.0(2) . . ?
C18 P1 Pt1 112.64(11) . . ?
C18 P1 C22 105.32(15) . . ?
C22 P1 Pt1 111.73(11) . . ?
C26 P1 Pt1 112.71(10) . . ?
C26 P1 C18 106.40(16) . . ?
C26 P1 C22 107.56(16) . . ?
C1 Pt1 Cl1 87.62(8) . . ?
C1 Pt1 P1 92.41(8) . . ?
C1 Pt1 Cl2 98.27(9) . . ?
C1 Pt1 C13 162.29(12) . . ?
P1 Pt1 Cl1 178.12(3) . . ?
P1 Pt1 Cl2 85.55(3) . . ?
Cl2 Pt1 Cl1 92.58(3) . . ?
N7 Pt1 C1 81.41(11) . . ?
N7 Pt1 Cl1 88.78(7) . . ?
N7 Pt1 P1 93.08(7) . . ?
N7 Pt1 Cl2 178.58(7) . . ?
N7 Pt1 C13 81.50(11) . . ?
C13 Pt1 Cl1 87.43(8) . . ?
C13 Pt1 P1 93.08(8) . . ?
C13 Pt1 Cl2 98.93(9) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 C1 118.2(3) . . ?
C3 C2 H2 120.9 . . ?
F3 C3 C2 117.6(3) . . ?
F3 C3 C4 118.3(3) . . ?
C4 C3 C2 124.0(3) . . ?
C3 C4 H4 120.9 . . ?
C3 C4 C5 118.2(3) . . ?
C5 C4 H4 120.9 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(3) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C7 116.1(3) . . ?
C5 C6 C1 120.9(3) . . ?
C5 C6 C7 123.0(3) . . ?
N7 C7 C6 113.5(3) . . ?
N7 C7 C8 118.1(3) . . ?
C8 C7 C6 128.3(3) . . ?
C7 N7 Pt1 117.8(2) . . ?
C7 N7 C11 124.4(3) . . ?
C11 N7 Pt1 117.7(2) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 C7 118.8(3) . . ?
C9 C8 H8 120.6 . . ?
C8 C9 H9 119.1 . . ?
C8 C9 C10 121.9(3) . . ?
C10 C9 H9 119.1 . . ?
C9 C10 H10 120.8 . . ?
C9 C10 C11 118.4(3) . . ?
C11 C10 H10 120.8 . . ?
N7 C11 C10 118.3(3) . . ?
N7 C11 C12 113.8(3) . . ?
C10 C11 C12 127.9(3) . . ?
C13 C12 C11 115.9(3) . . ?
C17 C12 C11 122.9(3) . . ?
C17 C12 C13 121.1(3) . . ?
C12 C13 Pt1 110.9(2) . . ?
C14 C13 Pt1 130.4(2) . . ?
C14 C13 C12 118.4(3) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.7(3) . . ?
C15 C14 H14 120.7 . . ?
F15 C15 C14 118.3(3) . . ?
F15 C15 C16 118.1(3) . . ?
C16 C15 C14 123.6(3) . . ?
C15 C16 H16 120.6 . . ?
C15 C16 C17 118.8(3) . . ?
C17 C16 H16 120.6 . . ?
C12 C17 H17 120.3 . . ?
C16 C17 C12 119.4(3) . . ?
C16 C17 H17 120.3 . . ?
P1 C18 H18A 107.9 . . ?
P1 C18 H18B 107.9 . . ?
H18A C18 H18B 107.2 . . ?
C19 C18 P1 117.6(2) . . ?
C19 C18 H18A 107.9 . . ?
C19 C18 H18B 107.9 . . ?
C18 C19 H19A 109.4 . . ?
C18 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C20 C19 C18 111.2(3) . . ?
C20 C19 H19A 109.4 . . ?
C20 C19 H19B 109.4 . . ?
C19 C20 H20A 108.8 . . ?
C19 C20 H20B 108.8 . . ?
H20A C20 H20B 107.7 . . ?
C21 C20 C19 113.7(3) . . ?
C21 C20 H20A 108.8 . . ?
C21 C20 H20B 108.8 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
P1 C22 H22A 108.1 . . ?
P1 C22 H22B 108.1 . . ?
H22A C22 H22B 107.3 . . ?
C23 C22 P1 116.6(2) . . ?
C23 C22 H22A 108.1 . . ?
C23 C22 H22B 108.1 . . ?
C22 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C24 C23 C22 111.3(3) . . ?
C24 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
C23 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
C23 C24 H24C 109.5 . . ?
C23 C24 H24D 109.5 . . ?
C23 C24 C25A 110.9(8) . . ?
H24A C24 H24B 107.8 . . ?
H24C C24 H24D 108.0 . . ?
C25 C24 C23 112.7(6) . . ?
C25 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
C25A C24 H24C 109.5 . . ?
C25A C24 H24D 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C25A H25D 109.5 . . ?
C24 C25A H25E 109.5 . . ?
C24 C25A H25F 109.5 . . ?
H25D C25A H25E 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 109.5 . . ?
P1 C26 H26A 108.8 . . ?
P1 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C27 C26 P1 113.9(2) . . ?
C27 C26 H26A 108.8 . . ?
C27 C26 H26B 108.8 . . ?
C26 C27 H27A 108.9 . . ?
C26 C27 H27B 108.9 . . ?
C26 C27 H27C 109.0 . . ?
C26 C27 H27D 109.0 . . ?
C26 C27 C28A 112.7(4) . . ?
H27A C27 H27B 107.7 . . ?
H27C C27 H27D 107.8 . . ?
C28 C27 C26 113.3(4) . . ?
C28 C27 H27A 108.9 . . ?
C28 C27 H27B 108.9 . . ?
C28A C27 H27C 109.0 . . ?
C28A C27 H27D 109.0 . . ?
C27 C28 H28A 108.2 . . ?
C27 C28 H28B 108.2 . . ?
H28A C28 H28B 107.3 . . ?
C29 C28 C27 116.4(11) . . ?
C29 C28 H28A 108.2 . . ?
C29 C28 H28B 108.2 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C28A H28C 108.4 . . ?
C27 C28A H28D 108.4 . . ?
H28C C28A H28D 107.5 . . ?
C29A C28A C27 115.4(10) . . ?
C29A C28A H28C 108.4 . . ?
C29A C28A H28D 108.4 . . ?
C28A C29A H29D 109.5 . . ?
C28A C29A H29E 109.5 . . ?
C28A C29A H29F 109.5 . . ?
H29D C29A H29E 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 F3 -178.8(3) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
C1 C6 C7 N7 2.3(4) . . . . ?
C1 C6 C7 C8 -177.9(3) . . . . ?
P1 C18 C19 C20 167.4(3) . . . . ?
P1 C22 C23 C24 -171.5(3) . . . . ?
P1 C26 C27 C28 146.8(4) . . . . ?
P1 C26 C27 C28A -162.0(4) . . . . ?
Pt1 C1 C2 C3 179.8(2) . . . . ?
Pt1 C1 C6 C5 -178.7(2) . . . . ?
Pt1 C1 C6 C7 0.8(3) . . . . ?
Pt1 P1 C18 C19 -86.1(3) . . . . ?
Pt1 P1 C22 C23 90.0(3) . . . . ?
Pt1 P1 C26 C27 179.3(2) . . . . ?
Pt1 N7 C11 C10 -175.5(2) . . . . ?
Pt1 N7 C11 C12 4.2(3) . . . . ?
Pt1 C13 C14 C15 173.6(3) . . . . ?
C2 C1 C6 C5 2.4(4) . . . . ?
C2 C1 C6 C7 -178.1(3) . . . . ?
C2 C3 C4 C5 1.3(5) . . . . ?
C3 C4 C5 C6 -0.4(5) . . . . ?
F3 C3 C4 C5 179.9(3) . . . . ?
C4 C5 C6 C1 -1.4(4) . . . . ?
C4 C5 C6 C7 179.1(3) . . . . ?
C5 C6 C7 N7 -178.2(3) . . . . ?
C5 C6 C7 C8 1.6(5) . . . . ?
C6 C1 C2 C3 -1.6(4) . . . . ?
C6 C7 N7 Pt1 -4.5(3) . . . . ?
C6 C7 N7 C11 177.1(3) . . . . ?
C6 C7 C8 C9 -179.5(3) . . . . ?
C7 N7 C11 C10 2.8(4) . . . . ?
C7 N7 C11 C12 -177.5(3) . . . . ?
C7 C8 C9 C10 1.9(5) . . . . ?
N7 C7 C8 C9 0.2(4) . . . . ?
N7 C11 C12 C13 -4.3(4) . . . . ?
N7 C11 C12 C17 173.3(3) . . . . ?
C8 C7 N7 Pt1 175.7(2) . . . . ?
C8 C7 N7 C11 -2.7(4) . . . . ?
C8 C9 C10 C11 -1.8(5) . . . . ?
C9 C10 C11 N7 -0.5(4) . . . . ?
C9 C10 C11 C12 179.8(3) . . . . ?
C10 C11 C12 C13 175.3(3) . . . . ?
C10 C11 C12 C17 -7.1(5) . . . . ?
C11 C12 C13 Pt1 2.5(3) . . . . ?
C11 C12 C13 C14 177.4(3) . . . . ?
C11 C12 C17 C16 -177.2(3) . . . . ?
C12 C13 C14 C15 -0.2(5) . . . . ?
C13 C12 C17 C16 0.3(5) . . . . ?
C13 C14 C15 F15 -178.7(3) . . . . ?
C13 C14 C15 C16 0.6(6) . . . . ?
C14 C15 C16 C17 -0.6(6) . . . . ?
C15 C16 C17 C12 0.1(6) . . . . ?
F15 C15 C16 C17 178.7(3) . . . . ?
C17 C12 C13 Pt1 -175.2(3) . . . . ?
C17 C12 C13 C14 -0.3(5) . . . . ?
C18 P1 C22 C23 -147.4(3) . . . . ?
C18 P1 C26 C27 55.4(3) . . . . ?
C18 C19 C20 C21 177.3(3) . . . . ?
C22 P1 C18 C19 151.9(2) . . . . ?
C22 P1 C26 C27 -57.1(3) . . . . ?
C22 C23 C24 C25 -163.1(6) . . . . ?
C22 C23 C24 C25A 175.9(6) . . . . ?
C26 P1 C18 C19 37.9(3) . . . . ?
C26 P1 C22 C23 -34.2(3) . . . . ?
C26 C27 C28 C29 65.0(11) . . . . ?
C26 C27 C28A C29A -52.7(12) . . . . ?
C28 C27 C28A C29A 48.5(11) . . . . ?
C28A C27 C28 C29 -35.0(10) . . . . ?

####################################################################### 
# 
# 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_ps1
_database_code_depnum_ccdc_archive 'CCDC 1055265'
_audit_update_record             
;
2015-03-20 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;
_audit_creation_date             2014-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2853 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C29 H36 Cl2 F2 N P Pt), C H Cl3'
_chemical_formula_sum            'C59 H73 Cl7 F4 N2 P2 Pt2'
_chemical_formula_weight         1586.46
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H20 N P 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'
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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   42.5003(7)
_cell_length_b                   8.95573(17)
_cell_length_c                   15.7762(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.9490(14)
_cell_angle_gamma                90
_cell_volume                     5996.83(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19288
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.5250
_cell_measurement_theta_min      3.4550
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.078
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3128
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.918
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_h_min       -61
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            39740
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.815
_diffrn_reflns_theta_min         3.140
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.2833
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0156550000
_diffrn_orient_matrix_UB_12      0.0049794000
_diffrn_orient_matrix_UB_13      -0.0176264000
_diffrn_orient_matrix_UB_21      0.0030077000
_diffrn_orient_matrix_UB_22      0.0736949000
_diffrn_orient_matrix_UB_23      -0.0139820000
_diffrn_orient_matrix_UB_31      0.0050131000
_diffrn_orient_matrix_UB_32      -0.0286790000
_diffrn_orient_matrix_UB_33      -0.0389733000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15822
_reflns_number_total             17255
_reflns_odcompleteness_completeness 99.73
_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, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.063
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     691
_refine_ls_number_reflns         17255
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0365
_refine_ls_restrained_S_all      1.196
_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)+(0.0110P)²+10.5150P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0631
_refine_ls_wR_factor_ref         0.0647
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
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.a Ternary CH refined with riding coordinates:
 C30(H30)
2.b Secondary CH2 refined with riding coordinates:
 C118(H11A,H11B), C119(H11C,H11D), C120(H12A,H12B), C122(H12F,H12G), C123(H12H,
 H12I), C124(H12J,H12K), C126(H12O,H12P), C127(H12Q,H12R), C128(H12S,H12T),
 C218(H21A,H21B), C219(H21C,H21D), C220(H22A,H22B), C222(H22F,H22G), C223(H22H,
 H22I), C224(H22J,H22K), C226(H22O,H22P), C227(H22Q,H22R), C228(H22S,H22T)
2.c Aromatic/amide H refined with riding coordinates:
 C102(H102), C104(H104), C105(H105), C108(H108), C109(H109), C110(H110),
 C113(H113), C114(H114), C116(H116), C202(H202), C204(H204), C205(H205),
 C208(H208), C209(H209), C210(H210), C213(H213), C214(H214), C216(H216)
2.d Idealised Me refined as rotating group:
 C121(H12C,H12D,H12E), C125(H12L,H12M,H12N), C129(H12U,H12V,H12W), C221(H22C,
 H22D,H22E), C225(H22L,H22M,H22N), C229(H22U,H22V,H22W)
;
_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 0.89637(2) 0.03850(2) 0.46061(2) 0.01762(3) Uani 1 1 d . . . . .
Cl11 Cl 0.92173(2) 0.19223(11) 0.36619(6) 0.02785(19) Uani 1 1 d . . . . .
Cl12 Cl 0.87211(2) -0.12540(10) 0.55123(5) 0.02359(18) Uani 1 1 d . . . . .
C101 C 0.93594(8) 0.0333(4) 0.5462(2) 0.0209(7) Uani 1 1 d . . . . .
C102 C 0.94322(9) 0.1128(4) 0.6207(2) 0.0235(7) Uani 1 1 d . . . . .
H102 H 0.9290 0.1860 0.6396 0.028 Uiso 1 1 calc R . . . .
C103 C 0.97112(9) 0.0849(4) 0.6668(2) 0.0269(8) Uani 1 1 d . . . . .
F103 F 0.97766(6) 0.1680(3) 0.73776(14) 0.0356(6) Uani 1 1 d . . . . .
C104 C 0.99273(10) -0.0202(5) 0.6442(3) 0.0311(9) Uani 1 1 d . . . . .
H104 H 1.0119 -0.0348 0.6766 0.037 Uiso 1 1 calc R . . . .
C105 C 0.98541(10) -0.1033(5) 0.5728(3) 0.0317(9) Uani 1 1 d . . . . .
H105 H 0.9996 -0.1785 0.5561 0.038 Uiso 1 1 calc R . . . .
C106 C 0.95749(9) -0.0794(4) 0.5241(2) 0.0244(8) Uani 1 1 d . . . . .
C107 C 0.94836(10) -0.1739(4) 0.4516(2) 0.0273(8) Uani 1 1 d . . . . .
N107 N 0.91994(8) -0.1404(3) 0.41450(19) 0.0246(7) Uani 1 1 d . . . . .
C108 C 0.96477(11) -0.2960(5) 0.4204(3) 0.0375(10) Uani 1 1 d . . . . .
H108 H 0.9850 -0.3215 0.4442 0.045 Uiso 1 1 calc R . . . .
C109 C 0.95122(13) -0.3783(5) 0.3551(3) 0.0448(12) Uani 1 1 d . . . . .
H109 H 0.9622 -0.4619 0.3340 0.054 Uiso 1 1 calc R . . . .
C110 C 0.92180(13) -0.3417(5) 0.3192(3) 0.0406(11) Uani 1 1 d . . . . .
H110 H 0.9124 -0.4006 0.2746 0.049 Uiso 1 1 calc R . . . .
C111 C 0.90609(10) -0.2172(4) 0.3493(2) 0.0292(9) Uani 1 1 d . . . . .
C112 C 0.87567(10) -0.1580(4) 0.3189(2) 0.0271(8) Uani 1 1 d . . . . .
C113 C 0.85845(11) -0.2217(5) 0.2506(2) 0.0355(10) Uani 1 1 d . . . . .
H113 H 0.8665 -0.3077 0.2239 0.043 Uiso 1 1 calc R . . . .
C114 C 0.83023(12) -0.1630(5) 0.2212(2) 0.0383(11) Uani 1 1 d . . . . .
H114 H 0.8186 -0.2060 0.1742 0.046 Uiso 1 1 calc R . . . .
C115 C 0.81935(11) -0.0399(5) 0.2621(3) 0.0352(10) Uani 1 1 d . . . . .
F115 F 0.79139(7) 0.0217(3) 0.23355(18) 0.0516(7) Uani 1 1 d . . . . .
C116 C 0.83534(9) 0.0284(5) 0.3306(2) 0.0281(8) Uani 1 1 d . . . . .
H116 H 0.8266 0.1133 0.3568 0.034 Uiso 1 1 calc R . . . .
C117 C 0.86417(9) -0.0284(4) 0.3604(2) 0.0245(8) Uani 1 1 d . . . . .
P1 P 0.87480(2) 0.25192(10) 0.51560(6) 0.01891(18) Uani 1 1 d . . . . .
C118 C 0.90548(9) 0.3946(4) 0.5351(2) 0.0225(7) Uani 1 1 d . . . . .
H11A H 0.9263 0.3457 0.5318 0.027 Uiso 1 1 calc R . . . .
H11B H 0.9036 0.4687 0.4885 0.027 Uiso 1 1 calc R . . . .
C119 C 0.90525(10) 0.4789(4) 0.6194(2) 0.0284(8) Uani 1 1 d . . . . .
H11C H 0.8851 0.5335 0.6224 0.034 Uiso 1 1 calc R . . . .
H11D H 0.9066 0.4063 0.6668 0.034 Uiso 1 1 calc R . . . .
C120 C 0.93241(11) 0.5891(5) 0.6299(3) 0.0347(10) Uani 1 1 d . . . . .
H12A H 0.9302 0.6646 0.5841 0.042 Uiso 1 1 calc R . . . .
H12B H 0.9308 0.6420 0.6846 0.042 Uiso 1 1 calc R . . . .
C121 C 0.96485(11) 0.5194(5) 0.6278(3) 0.0444(12) Uani 1 1 d . . . . .
H12C H 0.9679 0.4798 0.5709 0.067 Uiso 1 1 calc GR . . . .
H12D H 0.9667 0.4381 0.6693 0.067 Uiso 1 1 calc GR . . . .
H12E H 0.9809 0.5952 0.6418 0.067 Uiso 1 1 calc GR . . . .
C122 C 0.85600(9) 0.2190(4) 0.6155(2) 0.0245(8) Uani 1 1 d . . . . .
H12F H 0.8694 0.1498 0.6505 0.029 Uiso 1 1 calc R . . . .
H12G H 0.8551 0.3148 0.6467 0.029 Uiso 1 1 calc R . . . .
C123 C 0.82293(9) 0.1546(5) 0.6059(2) 0.0275(8) Uani 1 1 d . . . . .
H12H H 0.8227 0.0693 0.5659 0.033 Uiso 1 1 calc R . . . .
H12I H 0.8083 0.2315 0.5820 0.033 Uiso 1 1 calc R . . . .
C124 C 0.81181(10) 0.1022(5) 0.6913(3) 0.0324(9) Uani 1 1 d . . . . .
H12J H 0.8265 0.0249 0.7147 0.039 Uiso 1 1 calc R . . . .
H12K H 0.8125 0.1875 0.7313 0.039 Uiso 1 1 calc R . . . .
C125 C 0.77903(11) 0.0392(7) 0.6854(3) 0.0496(13) Uani 1 1 d . . . . .
H12L H 0.7783 -0.0469 0.6470 0.074 Uiso 1 1 calc GR . . . .
H12M H 0.7643 0.1158 0.6634 0.074 Uiso 1 1 calc GR . . . .
H12N H 0.7731 0.0076 0.7418 0.074 Uiso 1 1 calc GR . . . .
C126 C 0.84537(9) 0.3479(4) 0.4480(2) 0.0250(8) Uani 1 1 d . . . . .
H12O H 0.8542 0.3647 0.3919 0.030 Uiso 1 1 calc R . . . .
H12P H 0.8269 0.2813 0.4390 0.030 Uiso 1 1 calc R . . . .
C127 C 0.83393(10) 0.4980(4) 0.4812(3) 0.0291(8) Uani 1 1 d . . . . .
H12Q H 0.8252 0.4834 0.5376 0.035 Uiso 1 1 calc R . . . .
H12R H 0.8520 0.5676 0.4881 0.035 Uiso 1 1 calc R . . . .
C128 C 0.80888(10) 0.5655(5) 0.4207(3) 0.0330(9) Uani 1 1 d . . . . .
H12S H 0.7917 0.4920 0.4105 0.040 Uiso 1 1 calc R . . . .
H12T H 0.8182 0.5857 0.3657 0.040 Uiso 1 1 calc R . . . .
C129 C 0.79504(11) 0.7094(5) 0.4536(3) 0.0425(11) Uani 1 1 d . . . . .
H12U H 0.7788 0.7466 0.4124 0.064 Uiso 1 1 calc GR . . . .
H12V H 0.8117 0.7843 0.4616 0.064 Uiso 1 1 calc GR . . . .
H12W H 0.7856 0.6903 0.5079 0.064 Uiso 1 1 calc GR . . . .
Pt2 Pt 0.63868(2) 0.11587(2) 0.32447(2) 0.01375(3) Uani 1 1 d . . . . .
Cl21 Cl 0.62837(2) 0.27965(10) 0.43384(5) 0.02064(17) Uani 1 1 d . . . . .
Cl22 Cl 0.64465(2) -0.05854(10) 0.21691(5) 0.02219(17) Uani 1 1 d . . . . .
C201 C 0.59016(8) 0.0709(4) 0.31014(19) 0.0159(6) Uani 1 1 d . . . . .
C202 C 0.56590(8) 0.1418(4) 0.2626(2) 0.0196(7) Uani 1 1 d . . . . .
H202 H 0.5702 0.2281 0.2302 0.024 Uiso 1 1 calc R . . . .
C203 C 0.53566(8) 0.0862(4) 0.2629(2) 0.0224(7) Uani 1 1 d . . . . .
F203 F 0.51284(5) 0.1587(3) 0.21535(15) 0.0336(5) Uani 1 1 d . . . . .
C204 C 0.52746(9) -0.0369(5) 0.3078(2) 0.0279(8) Uani 1 1 d . . . . .
H204 H 0.5063 -0.0719 0.3062 0.033 Uiso 1 1 calc R . . . .
C205 C 0.55100(9) -0.1087(4) 0.3559(2) 0.0258(8) Uani 1 1 d . . . . .
H205 H 0.5461 -0.1945 0.3881 0.031 Uiso 1 1 calc R . . . .
C206 C 0.58182(8) -0.0561(4) 0.3573(2) 0.0197(7) Uani 1 1 d . . . . .
C207 C 0.60699(8) -0.1290(4) 0.4088(2) 0.0195(7) Uani 1 1 d . . . . .
N207 N 0.63522(7) -0.0606(3) 0.40583(17) 0.0175(6) Uani 1 1 d . . . . .
C208 C 0.60493(10) -0.2582(4) 0.4576(2) 0.0265(8) Uani 1 1 d . . . . .
H208 H 0.5856 -0.3113 0.4595 0.032 Uiso 1 1 calc R . . . .
C209 C 0.63177(10) -0.3074(5) 0.5034(2) 0.0308(9) Uani 1 1 d . . . . .
H209 H 0.6307 -0.3949 0.5371 0.037 Uiso 1 1 calc R . . . .
C210 C 0.65966(10) -0.2321(4) 0.5008(2) 0.0285(8) Uani 1 1 d . . . . .
H210 H 0.6776 -0.2651 0.5341 0.034 Uiso 1 1 calc R . . . .
C211 C 0.66166(9) -0.1068(4) 0.4491(2) 0.0199(7) Uani 1 1 d . . . . .
C212 C 0.68959(8) -0.0182(4) 0.4327(2) 0.0208(7) Uani 1 1 d . . . . .
C213 C 0.71863(10) -0.0465(5) 0.4753(2) 0.0292(9) Uani 1 1 d . . . . .
H213 H 0.7201 -0.1221 0.5176 0.035 Uiso 1 1 calc R . . . .
C214 C 0.74501(10) 0.0335(5) 0.4570(3) 0.0312(9) Uani 1 1 d . . . . .
H214 H 0.7647 0.0159 0.4866 0.037 Uiso 1 1 calc R . . . .
C215 C 0.74195(8) 0.1391(5) 0.3947(2) 0.0264(8) Uani 1 1 d . . . . .
F215 F 0.76783(5) 0.2204(3) 0.37551(15) 0.0383(6) Uani 1 1 d . . . . .
C216 C 0.71379(8) 0.1709(4) 0.3510(2) 0.0206(7) Uani 1 1 d . . . . .
H216 H 0.7131 0.2449 0.3078 0.025 Uiso 1 1 calc R . . . .
C217 C 0.68651(8) 0.0955(4) 0.3697(2) 0.0184(7) Uani 1 1 d . . . . .
P2 P 0.64649(2) 0.31820(10) 0.23707(5) 0.01598(17) Uani 1 1 d . . . . .
C218 C 0.66464(9) 0.2677(4) 0.1389(2) 0.0213(7) Uani 1 1 d . . . . .
H21A H 0.6497 0.2013 0.1068 0.026 Uiso 1 1 calc R . . . .
H21B H 0.6663 0.3602 0.1051 0.026 Uiso 1 1 calc R . . . .
C219 C 0.69681(8) 0.1919(4) 0.1408(2) 0.0214(7) Uani 1 1 d . . . . .
H21C H 0.7134 0.2651 0.1582 0.026 Uiso 1 1 calc R . . . .
H21D H 0.6974 0.1100 0.1830 0.026 Uiso 1 1 calc R . . . .
C220 C 0.70341(9) 0.1292(4) 0.0540(2) 0.0236(8) Uani 1 1 d . . . . .
H22A H 0.6877 0.0506 0.0391 0.028 Uiso 1 1 calc R . . . .
H22B H 0.7008 0.2098 0.0113 0.028 Uiso 1 1 calc R . . . .
C221 C 0.73615(11) 0.0639(5) 0.0497(3) 0.0368(10) Uani 1 1 d . . . . .
H22C H 0.7390 0.0256 -0.0077 0.055 Uiso 1 1 calc GR . . . .
H22D H 0.7388 -0.0178 0.0907 0.055 Uiso 1 1 calc GR . . . .
H22E H 0.7519 0.1415 0.0631 0.055 Uiso 1 1 calc GR . . . .
C222 C 0.66969(9) 0.4635(4) 0.2930(2) 0.0235(7) Uani 1 1 d . . . . .
H22F H 0.6552 0.5250 0.3257 0.028 Uiso 1 1 calc R . . . .
H22G H 0.6846 0.4143 0.3343 0.028 Uiso 1 1 calc R . . . .
C223 C 0.68838(10) 0.5677(4) 0.2378(2) 0.0278(8) Uani 1 1 d . . . . .
H22H H 0.7019 0.5076 0.2017 0.033 Uiso 1 1 calc R . . . .
H22I H 0.6736 0.6256 0.2000 0.033 Uiso 1 1 calc R . . . .
C224 C 0.70859(10) 0.6738(5) 0.2909(3) 0.0356(10) Uani 1 1 d . . . . .
H22J H 0.7239 0.6153 0.3268 0.043 Uiso 1 1 calc R . . . .
H22K H 0.6950 0.7294 0.3292 0.043 Uiso 1 1 calc R . . . .
C225 C 0.72661(12) 0.7855(5) 0.2385(3) 0.0446(12) Uani 1 1 d . . . . .
H22L H 0.7403 0.7314 0.2009 0.067 Uiso 1 1 calc GR . . . .
H22M H 0.7395 0.8501 0.2766 0.067 Uiso 1 1 calc GR . . . .
H22N H 0.7116 0.8466 0.2044 0.067 Uiso 1 1 calc GR . . . .
C226 C 0.61267(8) 0.4225(4) 0.1938(2) 0.0228(7) Uani 1 1 d . . . . .
H22O H 0.6203 0.4951 0.1522 0.027 Uiso 1 1 calc R . . . .
H22P H 0.5986 0.3517 0.1620 0.027 Uiso 1 1 calc R . . . .
C227 C 0.59306(9) 0.5072(5) 0.2553(2) 0.0279(8) Uani 1 1 d . . . . .
H22Q H 0.6053 0.5937 0.2779 0.033 Uiso 1 1 calc R . . . .
H22R H 0.5888 0.4412 0.3038 0.033 Uiso 1 1 calc R . . . .
C228 C 0.56158(10) 0.5632(5) 0.2148(3) 0.0324(9) Uani 1 1 d . . . . .
H22S H 0.5496 0.4766 0.1913 0.039 Uiso 1 1 calc R . . . .
H22T H 0.5491 0.6083 0.2596 0.039 Uiso 1 1 calc R . . . .
C229 C 0.56504(13) 0.6759(6) 0.1453(3) 0.0528(14) Uani 1 1 d . . . . .
H22U H 0.5755 0.6293 0.0981 0.079 Uiso 1 1 calc GR . . . .
H22V H 0.5777 0.7602 0.1672 0.079 Uiso 1 1 calc GR . . . .
H22W H 0.5442 0.7116 0.1253 0.079 Uiso 1 1 calc GR . . . .
C30 C 0.54642(11) 0.3105(5) 0.4715(2) 0.0348(10) Uani 1 1 d . . . . .
H30 H 0.5633 0.2623 0.4391 0.042 Uiso 1 1 calc R . . . .
Cl31 Cl 0.52351(4) 0.17030(16) 0.51498(8) 0.0641(4) Uani 1 1 d . . . . .
Cl32 Cl 0.52347(3) 0.42241(18) 0.40199(8) 0.0565(4) Uani 1 1 d . . . . .
Cl33 Cl 0.56439(3) 0.42003(14) 0.55312(7) 0.0436(3) 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
Pt1 Cl11 2.3327(9) . ?
Pt1 Cl12 2.3267(8) . ?
Pt1 C101 2.102(4) . ?
Pt1 N107 2.043(3) . ?
Pt1 C117 2.123(4) . ?
Pt1 P1 2.3084(9) . ?
C101 C102 1.394(5) . ?
C101 C106 1.419(5) . ?
C102 H102 0.9500 . ?
C102 C103 1.382(5) . ?
C103 F103 1.361(4) . ?
C103 C104 1.375(6) . ?
C104 H104 0.9500 . ?
C104 C105 1.372(6) . ?
C105 H105 0.9500 . ?
C105 C106 1.396(6) . ?
C106 C107 1.460(6) . ?
C107 N107 1.349(5) . ?
C107 C108 1.400(5) . ?
N107 C111 1.348(5) . ?
C108 H108 0.9500 . ?
C108 C109 1.370(7) . ?
C109 H109 0.9500 . ?
C109 C110 1.385(7) . ?
C110 H110 0.9500 . ?
C110 C111 1.396(6) . ?
C111 C112 1.455(6) . ?
C112 C113 1.392(5) . ?
C112 C117 1.432(5) . ?
C113 H113 0.9500 . ?
C113 C114 1.369(7) . ?
C114 H114 0.9500 . ?
C114 C115 1.370(6) . ?
C115 F115 1.365(5) . ?
C115 C116 1.388(5) . ?
C116 H116 0.9500 . ?
C116 C117 1.386(6) . ?
P1 C118 1.841(4) . ?
P1 C122 1.827(4) . ?
P1 C126 1.818(4) . ?
C118 H11A 0.9900 . ?
C118 H11B 0.9900 . ?
C118 C119 1.531(5) . ?
C119 H11C 0.9900 . ?
C119 H11D 0.9900 . ?
C119 C120 1.521(6) . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C120 C121 1.515(6) . ?
C121 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C122 H12F 0.9900 . ?
C122 H12G 0.9900 . ?
C122 C123 1.520(5) . ?
C123 H12H 0.9900 . ?
C123 H12I 0.9900 . ?
C123 C124 1.525(5) . ?
C124 H12J 0.9900 . ?
C124 H12K 0.9900 . ?
C124 C125 1.501(6) . ?
C125 H12L 0.9800 . ?
C125 H12M 0.9800 . ?
C125 H12N 0.9800 . ?
C126 H12O 0.9900 . ?
C126 H12P 0.9900 . ?
C126 C127 1.531(5) . ?
C127 H12Q 0.9900 . ?
C127 H12R 0.9900 . ?
C127 C128 1.518(5) . ?
C128 H12S 0.9900 . ?
C128 H12T 0.9900 . ?
C128 C129 1.519(6) . ?
C129 H12U 0.9800 . ?
C129 H12V 0.9800 . ?
C129 H12W 0.9800 . ?
Pt2 Cl21 2.3234(8) . ?
Pt2 Cl22 2.3298(8) . ?
Pt2 C201 2.102(3) . ?
Pt2 N207 2.046(3) . ?
Pt2 C217 2.127(3) . ?
Pt2 P2 2.3112(9) . ?
C201 C202 1.396(5) . ?
C201 C206 1.415(5) . ?
C202 H202 0.9500 . ?
C202 C203 1.378(5) . ?
C203 F203 1.359(4) . ?
C203 C204 1.366(5) . ?
C204 H204 0.9500 . ?
C204 C205 1.382(5) . ?
C205 H205 0.9500 . ?
C205 C206 1.391(5) . ?
C206 C207 1.463(5) . ?
C207 N207 1.350(4) . ?
C207 C208 1.395(5) . ?
N207 C211 1.349(4) . ?
C208 H208 0.9500 . ?
C208 C209 1.390(6) . ?
C209 H209 0.9500 . ?
C209 C210 1.366(6) . ?
C210 H210 0.9500 . ?
C210 C211 1.393(5) . ?
C211 C212 1.462(5) . ?
C212 C213 1.398(5) . ?
C212 C217 1.423(5) . ?
C213 H213 0.9500 . ?
C213 C214 1.374(6) . ?
C214 H214 0.9500 . ?
C214 C215 1.365(6) . ?
C215 F215 1.366(4) . ?
C215 C216 1.380(5) . ?
C216 H216 0.9500 . ?
C216 C217 1.387(5) . ?
P2 C218 1.822(3) . ?
P2 C222 1.831(4) . ?
P2 C226 1.818(4) . ?
C218 H21A 0.9900 . ?
C218 H21B 0.9900 . ?
C218 C219 1.526(5) . ?
C219 H21C 0.9900 . ?
C219 H21D 0.9900 . ?
C219 C220 1.519(5) . ?
C220 H22A 0.9900 . ?
C220 H22B 0.9900 . ?
C220 C221 1.514(5) . ?
C221 H22C 0.9800 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C222 H22F 0.9900 . ?
C222 H22G 0.9900 . ?
C222 C223 1.526(5) . ?
C223 H22H 0.9900 . ?
C223 H22I 0.9900 . ?
C223 C224 1.506(6) . ?
C224 H22J 0.9900 . ?
C224 H22K 0.9900 . ?
C224 C225 1.529(6) . ?
C225 H22L 0.9800 . ?
C225 H22M 0.9800 . ?
C225 H22N 0.9800 . ?
C226 H22O 0.9900 . ?
C226 H22P 0.9900 . ?
C226 C227 1.515(5) . ?
C227 H22Q 0.9900 . ?
C227 H22R 0.9900 . ?
C227 C228 1.537(6) . ?
C228 H22S 0.9900 . ?
C228 H22T 0.9900 . ?
C228 C229 1.503(6) . ?
C229 H22U 0.9800 . ?
C229 H22V 0.9800 . ?
C229 H22W 0.9800 . ?
C30 H30 1.0000 . ?
C30 Cl31 1.750(5) . ?
C30 Cl32 1.746(4) . ?
C30 Cl33 1.761(5) . ?

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
Cl12 Pt1 Cl11 177.06(3) . . ?
C101 Pt1 Cl11 92.45(10) . . ?
C101 Pt1 Cl12 87.50(10) . . ?
C101 Pt1 C117 159.34(15) . . ?
C101 Pt1 P1 95.57(10) . . ?
N107 Pt1 Cl11 89.10(9) . . ?
N107 Pt1 Cl12 87.99(9) . . ?
N107 Pt1 C101 79.68(14) . . ?
N107 Pt1 C117 79.80(14) . . ?
N107 Pt1 P1 174.05(10) . . ?
C117 Pt1 Cl11 89.56(10) . . ?
C117 Pt1 Cl12 89.45(10) . . ?
C117 Pt1 P1 105.06(11) . . ?
P1 Pt1 Cl11 87.53(3) . . ?
P1 Pt1 Cl12 95.41(3) . . ?
C102 C101 Pt1 131.7(3) . . ?
C102 C101 C106 116.9(3) . . ?
C106 C101 Pt1 111.3(3) . . ?
C101 C102 H102 120.0 . . ?
C103 C102 C101 119.9(4) . . ?
C103 C102 H102 120.0 . . ?
F103 C103 C102 117.9(4) . . ?
F103 C103 C104 118.5(3) . . ?
C104 C103 C102 123.6(4) . . ?
C103 C104 H104 121.4 . . ?
C105 C104 C103 117.2(4) . . ?
C105 C104 H104 121.4 . . ?
C104 C105 H105 119.4 . . ?
C104 C105 C106 121.3(4) . . ?
C106 C105 H105 119.4 . . ?
C101 C106 C107 117.1(3) . . ?
C105 C106 C101 121.0(4) . . ?
C105 C106 C107 121.8(4) . . ?
N107 C107 C106 114.0(3) . . ?
N107 C107 C108 118.2(4) . . ?
C108 C107 C106 127.7(4) . . ?
C107 N107 Pt1 117.7(3) . . ?
C111 N107 Pt1 118.0(3) . . ?
C111 N107 C107 124.3(3) . . ?
C107 C108 H108 120.4 . . ?
C109 C108 C107 119.2(4) . . ?
C109 C108 H108 120.4 . . ?
C108 C109 H109 119.5 . . ?
C108 C109 C110 121.1(4) . . ?
C110 C109 H109 119.5 . . ?
C109 C110 H110 120.4 . . ?
C109 C110 C111 119.2(4) . . ?
C111 C110 H110 120.4 . . ?
N107 C111 C110 118.0(4) . . ?
N107 C111 C112 114.3(3) . . ?
C110 C111 C112 127.7(4) . . ?
C113 C112 C111 121.9(4) . . ?
C113 C112 C117 120.5(4) . . ?
C117 C112 C111 117.6(3) . . ?
C112 C113 H113 119.3 . . ?
C114 C113 C112 121.5(4) . . ?
C114 C113 H113 119.3 . . ?
C113 C114 H114 121.3 . . ?
C113 C114 C115 117.4(4) . . ?
C115 C114 H114 121.3 . . ?
C114 C115 C116 123.9(4) . . ?
F115 C115 C114 118.6(4) . . ?
F115 C115 C116 117.5(4) . . ?
C115 C116 H116 120.3 . . ?
C117 C116 C115 119.4(4) . . ?
C117 C116 H116 120.3 . . ?
C112 C117 Pt1 110.3(3) . . ?
C116 C117 Pt1 132.4(3) . . ?
C116 C117 C112 117.3(3) . . ?
C118 P1 Pt1 110.24(12) . . ?
C122 P1 Pt1 112.98(13) . . ?
C122 P1 C118 107.78(17) . . ?
C126 P1 Pt1 116.46(13) . . ?
C126 P1 C118 103.29(17) . . ?
C126 P1 C122 105.33(18) . . ?
P1 C118 H11A 108.1 . . ?
P1 C118 H11B 108.1 . . ?
H11A C118 H11B 107.3 . . ?
C119 C118 P1 116.8(3) . . ?
C119 C118 H11A 108.1 . . ?
C119 C118 H11B 108.1 . . ?
C118 C119 H11C 109.2 . . ?
C118 C119 H11D 109.2 . . ?
H11C C119 H11D 107.9 . . ?
C120 C119 C118 112.1(3) . . ?
C120 C119 H11C 109.2 . . ?
C120 C119 H11D 109.2 . . ?
C119 C120 H12A 108.6 . . ?
C119 C120 H12B 108.6 . . ?
H12A C120 H12B 107.6 . . ?
C121 C120 C119 114.6(4) . . ?
C121 C120 H12A 108.6 . . ?
C121 C120 H12B 108.6 . . ?
C120 C121 H12C 109.5 . . ?
C120 C121 H12D 109.5 . . ?
C120 C121 H12E 109.5 . . ?
H12C C121 H12D 109.5 . . ?
H12C C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
P1 C122 H12F 108.6 . . ?
P1 C122 H12G 108.6 . . ?
H12F C122 H12G 107.6 . . ?
C123 C122 P1 114.7(3) . . ?
C123 C122 H12F 108.6 . . ?
C123 C122 H12G 108.6 . . ?
C122 C123 H12H 109.5 . . ?
C122 C123 H12I 109.5 . . ?
C122 C123 C124 110.8(3) . . ?
H12H C123 H12I 108.1 . . ?
C124 C123 H12H 109.5 . . ?
C124 C123 H12I 109.5 . . ?
C123 C124 H12J 109.0 . . ?
C123 C124 H12K 109.0 . . ?
H12J C124 H12K 107.8 . . ?
C125 C124 C123 112.9(4) . . ?
C125 C124 H12J 109.0 . . ?
C125 C124 H12K 109.0 . . ?
C124 C125 H12L 109.5 . . ?
C124 C125 H12M 109.5 . . ?
C124 C125 H12N 109.5 . . ?
H12L C125 H12M 109.5 . . ?
H12L C125 H12N 109.5 . . ?
H12M C125 H12N 109.5 . . ?
P1 C126 H12O 108.3 . . ?
P1 C126 H12P 108.3 . . ?
H12O C126 H12P 107.4 . . ?
C127 C126 P1 115.8(3) . . ?
C127 C126 H12O 108.3 . . ?
C127 C126 H12P 108.3 . . ?
C126 C127 H12Q 109.4 . . ?
C126 C127 H12R 109.4 . . ?
H12Q C127 H12R 108.0 . . ?
C128 C127 C126 111.0(3) . . ?
C128 C127 H12Q 109.4 . . ?
C128 C127 H12R 109.4 . . ?
C127 C128 H12S 108.9 . . ?
C127 C128 H12T 108.9 . . ?
C127 C128 C129 113.3(4) . . ?
H12S C128 H12T 107.7 . . ?
C129 C128 H12S 108.9 . . ?
C129 C128 H12T 108.9 . . ?
C128 C129 H12U 109.5 . . ?
C128 C129 H12V 109.5 . . ?
C128 C129 H12W 109.5 . . ?
H12U C129 H12V 109.5 . . ?
H12U C129 H12W 109.5 . . ?
H12V C129 H12W 109.5 . . ?
Cl21 Pt2 Cl22 174.81(3) . . ?
C201 Pt2 Cl21 88.81(9) . . ?
C201 Pt2 Cl22 86.35(9) . . ?
C201 Pt2 C217 159.21(13) . . ?
C201 Pt2 P2 104.83(9) . . ?
N207 Pt2 Cl21 89.97(8) . . ?
N207 Pt2 Cl22 87.31(8) . . ?
N207 Pt2 C201 79.50(12) . . ?
N207 Pt2 C217 79.71(12) . . ?
N207 Pt2 P2 175.57(8) . . ?
C217 Pt2 Cl21 91.05(9) . . ?
C217 Pt2 Cl22 92.81(9) . . ?
C217 Pt2 P2 95.95(10) . . ?
P2 Pt2 Cl21 89.22(3) . . ?
P2 Pt2 Cl22 93.83(3) . . ?
C202 C201 Pt2 131.6(3) . . ?
C202 C201 C206 116.7(3) . . ?
C206 C201 Pt2 111.6(2) . . ?
C201 C202 H202 120.1 . . ?
C203 C202 C201 119.8(3) . . ?
C203 C202 H202 120.1 . . ?
F203 C203 C202 117.7(3) . . ?
F203 C203 C204 118.5(3) . . ?
C204 C203 C202 123.8(3) . . ?
C203 C204 H204 121.2 . . ?
C203 C204 C205 117.6(4) . . ?
C205 C204 H204 121.2 . . ?
C204 C205 H205 119.8 . . ?
C204 C205 C206 120.4(4) . . ?
C206 C205 H205 119.8 . . ?
C201 C206 C207 117.1(3) . . ?
C205 C206 C201 121.7(3) . . ?
C205 C206 C207 121.2(3) . . ?
N207 C207 C206 113.8(3) . . ?
N207 C207 C208 118.5(3) . . ?
C208 C207 C206 127.7(3) . . ?
C207 N207 Pt2 117.7(2) . . ?
C211 N207 Pt2 118.0(2) . . ?
C211 N207 C207 124.2(3) . . ?
C207 C208 H208 120.8 . . ?
C209 C208 C207 118.5(4) . . ?
C209 C208 H208 120.8 . . ?
C208 C209 H209 119.4 . . ?
C210 C209 C208 121.2(4) . . ?
C210 C209 H209 119.4 . . ?
C209 C210 H210 120.2 . . ?
C209 C210 C211 119.6(4) . . ?
C211 C210 H210 120.2 . . ?
N207 C211 C210 118.0(3) . . ?
N207 C211 C212 114.0(3) . . ?
C210 C211 C212 128.0(3) . . ?
C213 C212 C211 121.4(3) . . ?
C213 C212 C217 120.8(4) . . ?
C217 C212 C211 117.7(3) . . ?
C212 C213 H213 119.5 . . ?
C214 C213 C212 120.9(4) . . ?
C214 C213 H213 119.5 . . ?
C213 C214 H214 121.2 . . ?
C215 C214 C213 117.7(3) . . ?
C215 C214 H214 121.2 . . ?
C214 C215 C216 123.4(4) . . ?
F215 C215 C214 118.7(3) . . ?
F215 C215 C216 117.8(4) . . ?
C215 C216 H216 119.8 . . ?
C215 C216 C217 120.4(4) . . ?
C217 C216 H216 119.8 . . ?
C212 C217 Pt2 110.3(2) . . ?
C216 C217 Pt2 132.9(3) . . ?
C216 C217 C212 116.7(3) . . ?
C218 P2 Pt2 113.10(13) . . ?
C218 P2 C222 110.16(17) . . ?
C222 P2 Pt2 111.11(12) . . ?
C226 P2 Pt2 119.49(13) . . ?
C226 P2 C218 99.75(16) . . ?
C226 P2 C222 102.21(17) . . ?
P2 C218 H21A 107.1 . . ?
P2 C218 H21B 107.1 . . ?
H21A C218 H21B 106.8 . . ?
C219 C218 P2 120.8(2) . . ?
C219 C218 H21A 107.1 . . ?
C219 C218 H21B 107.1 . . ?
C218 C219 H21C 109.5 . . ?
C218 C219 H21D 109.5 . . ?
H21C C219 H21D 108.1 . . ?
C220 C219 C218 110.7(3) . . ?
C220 C219 H21C 109.5 . . ?
C220 C219 H21D 109.5 . . ?
C219 C220 H22A 108.9 . . ?
C219 C220 H22B 108.9 . . ?
H22A C220 H22B 107.7 . . ?
C221 C220 C219 113.4(3) . . ?
C221 C220 H22A 108.9 . . ?
C221 C220 H22B 108.9 . . ?
C220 C221 H22C 109.5 . . ?
C220 C221 H22D 109.5 . . ?
C220 C221 H22E 109.5 . . ?
H22C C221 H22D 109.5 . . ?
H22C C221 H22E 109.5 . . ?
H22D C221 H22E 109.5 . . ?
P2 C222 H22F 108.2 . . ?
P2 C222 H22G 108.2 . . ?
H22F C222 H22G 107.4 . . ?
C223 C222 P2 116.3(3) . . ?
C223 C222 H22F 108.2 . . ?
C223 C222 H22G 108.2 . . ?
C222 C223 H22H 109.3 . . ?
C222 C223 H22I 109.3 . . ?
H22H C223 H22I 108.0 . . ?
C224 C223 C222 111.5(3) . . ?
C224 C223 H22H 109.3 . . ?
C224 C223 H22I 109.3 . . ?
C223 C224 H22J 108.9 . . ?
C223 C224 H22K 108.9 . . ?
C223 C224 C225 113.5(4) . . ?
H22J C224 H22K 107.7 . . ?
C225 C224 H22J 108.9 . . ?
C225 C224 H22K 108.9 . . ?
C224 C225 H22L 109.5 . . ?
C224 C225 H22M 109.5 . . ?
C224 C225 H22N 109.5 . . ?
H22L C225 H22M 109.5 . . ?
H22L C225 H22N 109.5 . . ?
H22M C225 H22N 109.5 . . ?
P2 C226 H22O 107.9 . . ?
P2 C226 H22P 107.9 . . ?
H22O C226 H22P 107.2 . . ?
C227 C226 P2 117.8(3) . . ?
C227 C226 H22O 107.9 . . ?
C227 C226 H22P 107.9 . . ?
C226 C227 H22Q 109.0 . . ?
C226 C227 H22R 109.0 . . ?
C226 C227 C228 113.1(3) . . ?
H22Q C227 H22R 107.8 . . ?
C228 C227 H22Q 109.0 . . ?
C228 C227 H22R 109.0 . . ?
C227 C228 H22S 108.8 . . ?
C227 C228 H22T 108.8 . . ?
H22S C228 H22T 107.6 . . ?
C229 C228 C227 114.0(4) . . ?
C229 C228 H22S 108.8 . . ?
C229 C228 H22T 108.8 . . ?
C228 C229 H22U 109.5 . . ?
C228 C229 H22V 109.5 . . ?
C228 C229 H22W 109.5 . . ?
H22U C229 H22V 109.5 . . ?
H22U C229 H22W 109.5 . . ?
H22V C229 H22W 109.5 . . ?
Cl31 C30 H30 108.6 . . ?
Cl31 C30 Cl33 110.0(2) . . ?
Cl32 C30 H30 108.6 . . ?
Cl32 C30 Cl31 110.7(3) . . ?
Cl32 C30 Cl33 110.3(3) . . ?
Cl33 C30 H30 108.6 . . ?

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 C101 C102 C103 178.6(3) . . . . ?
Pt1 C101 C106 C105 -179.6(3) . . . . ?
Pt1 C101 C106 C107 -2.9(4) . . . . ?
Pt1 N107 C111 C110 -178.4(3) . . . . ?
Pt1 N107 C111 C112 1.3(4) . . . . ?
Pt1 P1 C118 C119 -135.7(3) . . . . ?
Pt1 P1 C122 C123 -80.9(3) . . . . ?
Pt1 P1 C126 C127 -173.6(2) . . . . ?
C101 C102 C103 F103 178.2(3) . . . . ?
C101 C102 C103 C104 -0.8(6) . . . . ?
C101 C106 C107 N107 0.0(5) . . . . ?
C101 C106 C107 C108 -176.6(4) . . . . ?
C102 C101 C106 C105 -3.2(5) . . . . ?
C102 C101 C106 C107 173.4(3) . . . . ?
C102 C103 C104 C105 -1.6(6) . . . . ?
C103 C104 C105 C106 1.5(6) . . . . ?
F103 C103 C104 C105 179.4(3) . . . . ?
C104 C105 C106 C101 1.0(6) . . . . ?
C104 C105 C106 C107 -175.6(4) . . . . ?
C105 C106 C107 N107 176.6(4) . . . . ?
C105 C106 C107 C108 0.0(6) . . . . ?
C106 C101 C102 C103 3.1(5) . . . . ?
C106 C107 N107 Pt1 3.2(4) . . . . ?
C106 C107 N107 C111 -176.7(3) . . . . ?
C106 C107 C108 C109 175.1(4) . . . . ?
C107 N107 C111 C110 1.5(6) . . . . ?
C107 N107 C111 C112 -178.9(3) . . . . ?
C107 C108 C109 C110 0.6(7) . . . . ?
N107 C107 C108 C109 -1.4(6) . . . . ?
N107 C111 C112 C113 178.5(3) . . . . ?
N107 C111 C112 C117 0.0(5) . . . . ?
C108 C107 N107 Pt1 -179.8(3) . . . . ?
C108 C107 N107 C111 0.3(6) . . . . ?
C108 C109 C110 C111 1.2(7) . . . . ?
C109 C110 C111 N107 -2.2(6) . . . . ?
C109 C110 C111 C112 178.2(4) . . . . ?
C110 C111 C112 C113 -1.9(6) . . . . ?
C110 C111 C112 C117 179.7(4) . . . . ?
C111 C112 C113 C114 -178.4(4) . . . . ?
C111 C112 C117 Pt1 -1.2(4) . . . . ?
C111 C112 C117 C116 179.3(3) . . . . ?
C112 C113 C114 C115 -0.7(6) . . . . ?
C113 C112 C117 Pt1 -179.7(3) . . . . ?
C113 C112 C117 C116 0.9(5) . . . . ?
C113 C114 C115 F115 179.4(4) . . . . ?
C113 C114 C115 C116 0.5(7) . . . . ?
C114 C115 C116 C117 0.4(6) . . . . ?
C115 C116 C117 Pt1 179.6(3) . . . . ?
C115 C116 C117 C112 -1.0(6) . . . . ?
F115 C115 C116 C117 -178.5(4) . . . . ?
C117 C112 C113 C114 0.0(6) . . . . ?
P1 C118 C119 C120 177.7(3) . . . . ?
P1 C122 C123 C124 168.7(3) . . . . ?
P1 C126 C127 C128 -178.5(3) . . . . ?
C118 P1 C122 C123 157.0(3) . . . . ?
C118 P1 C126 C127 -52.6(3) . . . . ?
C118 C119 C120 C121 -59.7(5) . . . . ?
C122 P1 C118 C119 -12.0(3) . . . . ?
C122 P1 C126 C127 60.3(3) . . . . ?
C122 C123 C124 C125 179.3(4) . . . . ?
C126 P1 C118 C119 99.2(3) . . . . ?
C126 P1 C122 C123 47.3(3) . . . . ?
C126 C127 C128 C129 176.0(4) . . . . ?
Pt2 C201 C202 C203 178.4(3) . . . . ?
Pt2 C201 C206 C205 -178.6(3) . . . . ?
Pt2 C201 C206 C207 2.2(4) . . . . ?
Pt2 N207 C211 C210 -176.5(3) . . . . ?
Pt2 N207 C211 C212 1.8(4) . . . . ?
Pt2 P2 C218 C219 -59.1(3) . . . . ?
Pt2 P2 C222 C223 154.5(3) . . . . ?
Pt2 P2 C226 C227 65.4(3) . . . . ?
C201 C202 C203 F203 -179.8(3) . . . . ?
C201 C202 C203 C204 0.2(6) . . . . ?
C201 C206 C207 N207 1.8(4) . . . . ?
C201 C206 C207 C208 -177.2(3) . . . . ?
C202 C201 C206 C205 0.5(5) . . . . ?
C202 C201 C206 C207 -178.7(3) . . . . ?
C202 C203 C204 C205 0.2(6) . . . . ?
C203 C204 C205 C206 -0.2(6) . . . . ?
F203 C203 C204 C205 -179.9(3) . . . . ?
C204 C205 C206 C201 -0.2(6) . . . . ?
C204 C205 C206 C207 179.0(3) . . . . ?
C205 C206 C207 N207 -177.4(3) . . . . ?
C205 C206 C207 C208 3.6(6) . . . . ?
C206 C201 C202 C203 -0.5(5) . . . . ?
C206 C207 N207 Pt2 -5.2(4) . . . . ?
C206 C207 N207 C211 179.1(3) . . . . ?
C206 C207 C208 C209 -178.7(4) . . . . ?
C207 N207 C211 C210 -0.7(5) . . . . ?
C207 N207 C211 C212 177.5(3) . . . . ?
C207 C208 C209 C210 -0.3(6) . . . . ?
N207 C207 C208 C209 2.3(5) . . . . ?
N207 C211 C212 C213 176.9(3) . . . . ?
N207 C211 C212 C217 -5.0(4) . . . . ?
C208 C207 N207 Pt2 173.9(3) . . . . ?
C208 C207 N207 C211 -1.8(5) . . . . ?
C208 C209 C210 C211 -2.3(6) . . . . ?
C209 C210 C211 N207 2.8(5) . . . . ?
C209 C210 C211 C212 -175.1(4) . . . . ?
C210 C211 C212 C213 -5.1(6) . . . . ?
C210 C211 C212 C217 173.0(3) . . . . ?
C211 C212 C213 C214 177.4(3) . . . . ?
C211 C212 C217 Pt2 5.5(4) . . . . ?
C211 C212 C217 C216 -175.5(3) . . . . ?
C212 C213 C214 C215 -1.3(6) . . . . ?
C213 C212 C217 Pt2 -176.4(3) . . . . ?
C213 C212 C217 C216 2.6(5) . . . . ?
C213 C214 C215 F215 179.8(3) . . . . ?
C213 C214 C215 C216 1.3(6) . . . . ?
C214 C215 C216 C217 0.7(6) . . . . ?
C215 C216 C217 Pt2 176.1(3) . . . . ?
C215 C216 C217 C212 -2.6(5) . . . . ?
F215 C215 C216 C217 -177.8(3) . . . . ?
C217 C212 C213 C214 -0.7(6) . . . . ?
P2 C218 C219 C220 166.9(3) . . . . ?
P2 C222 C223 C224 -175.2(3) . . . . ?
P2 C226 C227 C228 -167.9(3) . . . . ?
C218 P2 C222 C223 28.3(3) . . . . ?
C218 P2 C226 C227 -170.9(3) . . . . ?
C218 C219 C220 C221 175.1(3) . . . . ?
C222 P2 C218 C219 65.9(3) . . . . ?
C222 P2 C226 C227 -57.7(3) . . . . ?
C222 C223 C224 C225 -177.3(4) . . . . ?
C226 P2 C218 C219 172.8(3) . . . . ?
C226 P2 C222 C223 -77.0(3) . . . . ?
C226 C227 C228 C229 -64.0(5) . . . . ?

####################################################################### 
# 
# 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_ps8n
_database_code_depnum_ccdc_archive 'CCDC 1055266'
_audit_update_record             
;
2015-03-20 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;
_audit_creation_date             2014-11-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.11.21 svn.r3092 for OlexSys, GUI svn.r4949)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H36 Cl2 F2 N P Pt'
_chemical_formula_sum            'C29 H36 Cl2 F2 N P Pt'
_chemical_formula_weight         733.55
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H20 N2 O2 F2 P 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'
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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                   17.9634(6)
_cell_length_b                   13.9987(4)
_cell_length_c                   11.0698(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2783.66(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6204
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.0270
_cell_measurement_theta_min      2.9100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.323
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80924
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
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    1.750
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1448
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.0719
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.904
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19220
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.854
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.751
_diffrn_reflns_theta_min         2.694
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.1417
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -60.00   36.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4141  -38.0000   60.0000 96

#__ type_ start__ end____ width___ exp.time_
  2 omega   -3.00   83.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4141   57.0000 -150.0000 86

#__ type_ start__ end____ width___ exp.time_
  3 omega   72.00   98.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4141  178.0000   30.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega  -14.00   26.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4141   57.0000    0.0000 40
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0112153000
_diffrn_orient_matrix_UB_12      0.0420567000
_diffrn_orient_matrix_UB_13      -0.0307734000
_diffrn_orient_matrix_UB_21      0.0374889000
_diffrn_orient_matrix_UB_22      -0.0087281000
_diffrn_orient_matrix_UB_23      0.0168398000
_diffrn_orient_matrix_UB_31      0.0053408000
_diffrn_orient_matrix_UB_32      -0.0268542000
_diffrn_orient_matrix_UB_33      -0.0536236000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.804
_reflns_Friedel_fraction_full    0.978
_reflns_Friedel_fraction_max     0.798
_reflns_number_gt                5493
_reflns_number_total             7402
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.237
_refine_diff_density_min         -0.772
_refine_diff_density_rms         0.135
_refine_ls_abs_structure_details 
;
 Flack x determined using 2035 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
Flack   0.016(6)	    (Shelxl 2013)
Hooft y parameter 0.005(6)  (Olex2)

;
_refine_ls_abs_structure_Flack   0.016(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         7402
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0406
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0248P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0681
_refine_ls_wR_factor_ref         0.0771
_refine_special_details          ?
_olex2_refinement_description    
;
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.a Ternary CH refined with riding coordinates:
 C20(H20)
2.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C19(H19A,H19B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,
 H24B), C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B)
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), C17(H17)
2.d Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C25(H25A,H25B,H25C), C29(H29A,H29B,H29C)
;
_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 0.6735(5) 0.1409(6) 0.4844(7) 0.0267(19) Uani 1 1 d . . . . .
Cl1 Cl 0.66217(15) 0.01446(17) 0.11574(19) 0.0388(5) Uani 1 1 d . . . . .
P1 P 0.56187(15) 0.15681(18) 0.2734(2) 0.0325(6) Uani 1 1 d . . . . .
Pt1 Pt 0.66790(2) 0.07634(2) 0.32081(5) 0.02787(8) Uani 1 1 d . . . . .
C2 C 0.6442(6) 0.1095(7) 0.5929(8) 0.035(2) Uani 1 1 d . . . . .
H2 H 0.6183 0.0504 0.5969 0.042 Uiso 1 1 calc R . . . .
Cl2 Cl 0.76669(14) -0.02675(17) 0.3832(2) 0.0393(5) Uani 1 1 d . . . . .
C3 C 0.6528(6) 0.1645(8) 0.6951(8) 0.039(2) Uani 1 1 d . . . . .
F3 F 0.6223(4) 0.1304(4) 0.8011(5) 0.0555(17) Uani 1 1 d . . . . .
C4 C 0.6891(6) 0.2492(7) 0.6969(8) 0.039(2) Uani 1 1 d . . . . .
H4 H 0.6936 0.2851 0.7694 0.047 Uiso 1 1 calc R . . . .
C5 C 0.7191(5) 0.2817(7) 0.5909(8) 0.036(2) Uani 1 1 d . . . . .
H5 H 0.7453 0.3406 0.5898 0.043 Uiso 1 1 calc R . . . .
C6 C 0.7117(5) 0.2291(6) 0.4842(7) 0.0278(19) Uani 1 1 d . . . . .
C7 C 0.7436(5) 0.2636(7) 0.3696(7) 0.028(2) Uani 1 1 d . . . . .
N7 N 0.7475(4) 0.1982(5) 0.2792(5) 0.0250(17) Uani 1 1 d . . . . .
C8 C 0.7652(5) 0.3577(7) 0.3529(8) 0.035(3) Uani 1 1 d . . . . .
H8 H 0.7634 0.4015 0.4184 0.042 Uiso 1 1 calc R . . . .
C9 C 0.7890(6) 0.3869(7) 0.2426(9) 0.039(2) Uani 1 1 d . . . . .
H9 H 0.7985 0.4526 0.2275 0.047 Uiso 1 1 calc R . . . .
C10 C 0.7990(6) 0.3207(7) 0.1539(8) 0.037(2) Uani 1 1 d . . . . .
H10 H 0.8190 0.3394 0.0780 0.044 Uiso 1 1 calc R . . . .
C11 C 0.7802(5) 0.2262(7) 0.1743(8) 0.035(2) Uani 1 1 d . . . . .
C12 C 0.8030(5) 0.1536(7) 0.0834(8) 0.034(2) Uani 1 1 d . . . . .
C13 C 0.7935(6) 0.1717(8) -0.0392(8) 0.041(2) Uani 1 1 d . . . . .
H13 H 0.7667 0.2266 -0.0647 0.050 Uiso 1 1 calc R . . . .
C14 C 0.8233(6) 0.1091(8) -0.1248(9) 0.046(3) Uani 1 1 d . . . . .
H14 H 0.8182 0.1218 -0.2087 0.055 Uiso 1 1 calc R . . . .
C15 C 0.8595(6) 0.0298(8) -0.0860(9) 0.044(3) Uani 1 1 d . . . . .
F15 F 0.8886(3) -0.0300(4) -0.1705(7) 0.0531(14) Uani 1 1 d . . . . .
C16 C 0.8703(6) 0.0089(7) 0.0341(8) 0.039(2) Uani 1 1 d . . . . .
H16 H 0.8970 -0.0464 0.0586 0.046 Uiso 1 1 calc R . . . .
C17 C 0.8406(5) 0.0714(7) 0.1180(8) 0.035(2) Uani 1 1 d . . . . .
H17 H 0.8460 0.0577 0.2016 0.042 Uiso 1 1 calc R . . . .
C18 C 0.4927(6) 0.0611(7) 0.2848(8) 0.041(3) Uani 1 1 d . . . . .
H18A H 0.4419 0.0875 0.2936 0.049 Uiso 1 1 calc R . . . .
H18B H 0.4942 0.0192 0.2128 0.049 Uiso 1 1 calc R . . . .
C19 C 0.5157(6) 0.0068(8) 0.3975(9) 0.042(2) Uani 1 1 d . . . . .
H19A H 0.4812 -0.0474 0.4107 0.050 Uiso 1 1 calc R . . . .
H19B H 0.5126 0.0495 0.4686 0.050 Uiso 1 1 calc R . . . .
C20 C 0.5946(6) -0.0304(7) 0.3842(9) 0.036(2) Uani 1 1 d . . . . .
H20 H 0.6119 -0.0474 0.4674 0.043 Uiso 1 1 calc R . . . .
C21 C 0.5963(6) -0.1230(6) 0.3107(14) 0.049(2) Uani 1 1 d . . . . .
H21A H 0.5704 -0.1131 0.2337 0.073 Uiso 1 1 calc GR . . . .
H21B H 0.5714 -0.1739 0.3561 0.073 Uiso 1 1 calc GR . . . .
H21C H 0.6480 -0.1413 0.2951 0.073 Uiso 1 1 calc GR . . . .
C22 C 0.5341(5) 0.2469(7) 0.3819(8) 0.035(2) Uani 1 1 d . . . . .
H22A H 0.5378 0.2189 0.4638 0.041 Uiso 1 1 calc R . . . .
H22B H 0.5702 0.3003 0.3775 0.041 Uiso 1 1 calc R . . . .
C23 C 0.4558(7) 0.2877(9) 0.3662(10) 0.061(4) Uani 1 1 d . . . . .
H23A H 0.4516 0.3159 0.2844 0.073 Uiso 1 1 calc R . . . .
H23B H 0.4193 0.2349 0.3718 0.073 Uiso 1 1 calc R . . . .
C24 C 0.4361(7) 0.3628(8) 0.4583(9) 0.051(3) Uani 1 1 d . . . . .
H24A H 0.4720 0.4161 0.4508 0.062 Uiso 1 1 calc R . . . .
H24B H 0.3861 0.3882 0.4388 0.062 Uiso 1 1 calc R . . . .
C25 C 0.4359(9) 0.3293(12) 0.5873(11) 0.099(6) Uani 1 1 d . . . . .
H25A H 0.3999 0.2772 0.5966 0.149 Uiso 1 1 calc GR . . . .
H25B H 0.4219 0.3824 0.6403 0.149 Uiso 1 1 calc GR . . . .
H25C H 0.4856 0.3065 0.6092 0.149 Uiso 1 1 calc GR . . . .
C26 C 0.5533(6) 0.2118(7) 0.1270(9) 0.044(3) Uani 1 1 d . . . . .
H26A H 0.5672 0.1642 0.0649 0.053 Uiso 1 1 calc R . . . .
H26B H 0.5003 0.2285 0.1139 0.053 Uiso 1 1 calc R . . . .
C27 C 0.5992(8) 0.2995(8) 0.1080(10) 0.060(3) Uani 1 1 d . . . . .
H27A H 0.6106 0.3266 0.1885 0.072 Uiso 1 1 calc R . . . .
H27B H 0.6471 0.2793 0.0718 0.072 Uiso 1 1 calc R . . . .
C28 C 0.5690(10) 0.3765(11) 0.0332(13) 0.091(5) Uani 1 1 d . . . . .
H28A H 0.6090 0.4243 0.0216 0.109 Uiso 1 1 calc R . . . .
H28B H 0.5290 0.4081 0.0799 0.109 Uiso 1 1 calc R . . . .
C29 C 0.5385(7) 0.3527(9) -0.0876(10) 0.065(3) Uani 1 1 d . . . . .
H29A H 0.5774 0.3227 -0.1367 0.097 Uiso 1 1 calc GR . . . .
H29B H 0.5214 0.4113 -0.1274 0.097 Uiso 1 1 calc GR . . . .
H29C H 0.4966 0.3085 -0.0785 0.097 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 Pt1 2.027(8) . ?
C1 C2 1.383(12) . ?
C1 C6 1.413(12) . ?
Cl1 Pt1 2.432(2) . ?
P1 Pt1 2.274(3) . ?
P1 C18 1.832(10) . ?
P1 C22 1.810(9) . ?
P1 C26 1.801(10) . ?
Pt1 Cl2 2.389(2) . ?
Pt1 N7 2.274(7) . ?
Pt1 C20 2.111(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.377(13) . ?
C3 F3 1.381(11) . ?
C3 C4 1.353(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.369(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.398(12) . ?
C6 C7 1.473(11) . ?
C7 N7 1.358(9) . ?
C7 C8 1.385(13) . ?
N7 C11 1.358(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.357(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.362(14) . ?
C10 H10 0.9500 . ?
C10 C11 1.384(13) . ?
C11 C12 1.488(13) . ?
C12 C13 1.391(13) . ?
C12 C17 1.388(13) . ?
C13 H13 0.9500 . ?
C13 C14 1.397(14) . ?
C14 H14 0.9500 . ?
C14 C15 1.357(15) . ?
C15 F15 1.359(11) . ?
C15 C16 1.375(13) . ?
C16 H16 0.9500 . ?
C16 C17 1.383(13) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.518(13) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.518(14) . ?
C20 H20 1.0000 . ?
C20 C21 1.531(13) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.529(13) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.506(13) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.503(15) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.494(15) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.464(17) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.483(16) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 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
C2 C1 Pt1 128.0(7) . . ?
C2 C1 C6 117.7(8) . . ?
C6 C1 Pt1 114.3(6) . . ?
C18 P1 Pt1 100.9(3) . . ?
C22 P1 Pt1 115.0(3) . . ?
C22 P1 C18 106.1(5) . . ?
C26 P1 Pt1 119.4(4) . . ?
C26 P1 C18 108.5(5) . . ?
C26 P1 C22 106.0(5) . . ?
C1 Pt1 Cl1 174.4(2) . . ?
C1 Pt1 P1 91.5(2) . . ?
C1 Pt1 Cl2 88.5(2) . . ?
C1 Pt1 N7 79.4(3) . . ?
C1 Pt1 C20 92.8(4) . . ?
P1 Pt1 Cl1 85.74(9) . . ?
P1 Pt1 Cl2 171.07(9) . . ?
Cl2 Pt1 Cl1 94.95(9) . . ?
N7 Pt1 Cl1 96.02(17) . . ?
N7 Pt1 P1 96.23(19) . . ?
N7 Pt1 Cl2 92.56(19) . . ?
C20 Pt1 Cl1 91.8(3) . . ?
C20 Pt1 P1 84.6(3) . . ?
C20 Pt1 Cl2 86.5(3) . . ?
C20 Pt1 N7 172.2(3) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.5(9) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 F3 117.4(9) . . ?
C4 C3 C2 123.8(9) . . ?
C4 C3 F3 118.8(8) . . ?
C3 C4 H4 121.0 . . ?
C3 C4 C5 117.9(9) . . ?
C5 C4 H4 121.0 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.8(9) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C7 118.5(7) . . ?
C5 C6 C1 120.3(8) . . ?
C5 C6 C7 121.2(8) . . ?
N7 C7 C6 115.7(7) . . ?
N7 C7 C8 121.9(8) . . ?
C8 C7 C6 122.4(8) . . ?
C7 N7 Pt1 108.9(5) . . ?
C7 N7 C11 117.2(7) . . ?
C11 N7 Pt1 131.4(6) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.7(8) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 120.5 . . ?
C8 C9 C10 119.0(9) . . ?
C10 C9 H9 120.5 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0(9) . . ?
C11 C10 H10 120.0 . . ?
N7 C11 C10 121.4(8) . . ?
N7 C11 C12 120.0(8) . . ?
C10 C11 C12 118.3(8) . . ?
C13 C12 C11 120.1(9) . . ?
C17 C12 C11 120.9(8) . . ?
C17 C12 C13 118.7(9) . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.1(10) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.6 . . ?
C15 C14 C13 118.8(10) . . ?
C15 C14 H14 120.6 . . ?
C14 C15 F15 118.0(9) . . ?
C14 C15 C16 123.2(9) . . ?
F15 C15 C16 118.7(10) . . ?
C15 C16 H16 121.3 . . ?
C15 C16 C17 117.4(10) . . ?
C17 C16 H16 121.3 . . ?
C12 C17 H17 119.1 . . ?
C16 C17 C12 121.8(9) . . ?
C16 C17 H17 119.1 . . ?
P1 C18 H18A 111.0 . . ?
P1 C18 H18B 111.0 . . ?
H18A C18 H18B 109.0 . . ?
C19 C18 P1 103.8(6) . . ?
C19 C18 H18A 111.0 . . ?
C19 C18 H18B 111.0 . . ?
C18 C19 H19A 109.6 . . ?
C18 C19 H19B 109.6 . . ?
C18 C19 C20 110.3(8) . . ?
H19A C19 H19B 108.1 . . ?
C20 C19 H19A 109.6 . . ?
C20 C19 H19B 109.6 . . ?
Pt1 C20 H20 106.4 . . ?
C19 C20 Pt1 111.8(7) . . ?
C19 C20 H20 106.4 . . ?
C19 C20 C21 111.1(8) . . ?
C21 C20 Pt1 114.2(7) . . ?
C21 C20 H20 106.4 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
P1 C22 H22A 108.3 . . ?
P1 C22 H22B 108.3 . . ?
H22A C22 H22B 107.4 . . ?
C23 C22 P1 116.0(7) . . ?
C23 C22 H22A 108.3 . . ?
C23 C22 H22B 108.3 . . ?
C22 C23 H23A 108.8 . . ?
C22 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C24 C23 C22 113.6(9) . . ?
C24 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C23 C24 H24A 108.5 . . ?
C23 C24 H24B 108.5 . . ?
H24A C24 H24B 107.5 . . ?
C25 C24 C23 115.3(11) . . ?
C25 C24 H24A 108.5 . . ?
C25 C24 H24B 108.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
P1 C26 H26A 108.4 . . ?
P1 C26 H26B 108.4 . . ?
H26A C26 H26B 107.5 . . ?
C27 C26 P1 115.5(7) . . ?
C27 C26 H26A 108.4 . . ?
C27 C26 H26B 108.4 . . ?
C26 C27 H27A 107.6 . . ?
C26 C27 H27B 107.6 . . ?
H27A C27 H27B 107.1 . . ?
C28 C27 C26 118.7(11) . . ?
C28 C27 H27A 107.6 . . ?
C28 C27 H27B 107.6 . . ?
C27 C28 H28A 107.6 . . ?
C27 C28 H28B 107.6 . . ?
C27 C28 C29 118.8(13) . . ?
H28A C28 H28B 107.1 . . ?
C29 C28 H28A 107.6 . . ?
C29 C28 H28B 107.6 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
