# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1479263'
_audit_update_record             
;
2016-05-11 deposited with the CCDC.
2016-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H58 F6 N P3 Pt'
_chemical_formula_sum            'C26 H58 F6 N P3 Pt'
_chemical_formula_weight         786.73

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   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   8.956(4)
_cell_length_b                   12.531(5)
_cell_length_c                   29.404(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.695(5)
_cell_angle_gamma                90.00
_cell_volume                     3298(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2356
_cell_measurement_theta_min      2.75
_cell_measurement_theta_max      27.45

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1592
_exptl_absorpt_coefficient_mu    4.450
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4356
_exptl_absorpt_correction_T_max  0.5563
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
Data were corrected for Lorentz polarization and absorption
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7774
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         1.77
_diffrn_reflns_theta_max         27.82
_reflns_number_total             7774
_reflns_number_gt                6761
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_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)+(0.0000P)²+87.5137P] 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         7774
_refine_ls_number_parameters     354
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0617
_refine_ls_wR_factor_ref         0.1475
_refine_ls_wR_factor_gt          0.1436
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.000
_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 0.69444(4) 0.36696(3) 0.378655(12) 0.01879(10) Uani 1 1 d . . .
H H 0.8352 0.3570 0.3840 0.028 Uiso 1 1 d R . .
P2 P 0.7326(3) 0.51424(18) 0.33130(8) 0.0184(4) Uani 1 1 d . . .
P1 P 0.7161(3) 0.24157(19) 0.43704(8) 0.0208(5) Uani 1 1 d . . .
P3 P 0.2409(4) -0.1122(2) 0.34999(11) 0.0385(7) Uani 1 1 d . . .
F2 F 0.2500(11) -0.1776(7) 0.3046(3) 0.072(3) Uani 1 1 d . . .
F3 F 0.0707(10) -0.1416(8) 0.3538(3) 0.073(3) Uani 1 1 d . . .
F4 F 0.2320(11) -0.0486(8) 0.3966(3) 0.079(3) Uani 1 1 d . . .
C3 C 0.5294(11) 0.2156(8) 0.4653(3) 0.028(2) Uani 1 1 d . . .
N1 N 0.5024(10) 0.3040(7) 0.3460(3) 0.032(2) Uani 1 1 d . . .
F6 F 0.1888(14) -0.0093(8) 0.3237(4) 0.093(3) Uani 1 1 d . . .
C24 C 0.6104(14) 0.4078(9) 0.2547(4) 0.037(3) Uani 1 1 d . . .
H24A H 0.6777 0.4121 0.2299 0.056 Uiso 1 1 calc R . .
H24B H 0.5124 0.3894 0.2431 0.056 Uiso 1 1 calc R . .
H24C H 0.6448 0.3542 0.2758 0.056 Uiso 1 1 calc R . .
C17 C 0.6714(14) 0.7408(9) 0.3416(4) 0.041(3) Uani 1 1 d . . .
H17A H 0.7551 0.7547 0.3229 0.062 Uiso 1 1 calc R . .
H17B H 0.6613 0.7979 0.3631 0.062 Uiso 1 1 calc R . .
H17C H 0.5821 0.7358 0.3229 0.062 Uiso 1 1 calc R . .
C13 C 0.9543(14) 0.1315(10) 0.3984(4) 0.047(3) Uani 1 1 d . . .
H13A H 0.9596 0.1975 0.3819 0.071 Uiso 1 1 calc R . .
H13B H 0.9841 0.0738 0.3792 0.071 Uiso 1 1 calc R . .
H13C H 1.0198 0.1349 0.4248 0.071 Uiso 1 1 calc R . .
F5 F 0.4069(11) -0.0788(12) 0.3439(5) 0.133(6) Uani 1 1 d . . .
C15 C 0.6967(13) 0.6343(9) 0.3675(3) 0.033(2) Uani 1 1 d . . .
C2 C 0.2710(13) 0.2272(10) 0.3039(4) 0.040(3) Uani 1 1 d . . .
H2A H 0.2686 0.2525 0.2731 0.060 Uiso 1 1 calc R . .
H2B H 0.1831 0.2509 0.3189 0.060 Uiso 1 1 calc R . .
H2C H 0.2741 0.1506 0.3040 0.060 Uiso 1 1 calc R . .
F1 F 0.2832(18) -0.2171(9) 0.3760(4) 0.125(5) Uani 1 1 d . . .
C11 C 0.7912(14) 0.1129(8) 0.4134(4) 0.038(3) Uani 1 1 d . . .
C7 C 0.8521(15) 0.2923(11) 0.4838(4) 0.044(3) Uani 1 1 d . . .
C25 C 0.6364(15) 0.6024(10) 0.2428(4) 0.045(3) Uani 1 1 d . . .
H25A H 0.6289 0.6720 0.2561 0.068 Uiso 1 1 calc R . .
H25B H 0.5650 0.5960 0.2179 0.068 Uiso 1 1 calc R . .
H25C H 0.7353 0.5924 0.2318 0.068 Uiso 1 1 calc R . .
C1 C 0.4023(14) 0.2685(9) 0.3277(4) 0.035(3) Uani 1 1 d . . .
C4 C 0.5429(14) 0.1672(9) 0.5135(4) 0.039(3) Uani 1 1 d . . .
H4A H 0.5876 0.0977 0.5119 0.058 Uiso 1 1 calc R . .
H4B H 0.4453 0.1612 0.5259 0.058 Uiso 1 1 calc R . .
H4C H 0.6041 0.2125 0.5326 0.058 Uiso 1 1 calc R . .
C6 C 0.4469(13) 0.3241(10) 0.4681(4) 0.040(3) Uani 1 1 d . . .
H6A H 0.5076 0.3738 0.4853 0.061 Uiso 1 1 calc R . .
H6B H 0.3536 0.3143 0.4828 0.061 Uiso 1 1 calc R . .
H6C H 0.4285 0.3515 0.4380 0.061 Uiso 1 1 calc R . .
C19 C 0.9333(13) 0.5182(9) 0.3110(4) 0.033(2) Uani 1 1 d . . .
C18 C 0.8222(15) 0.6548(9) 0.4025(4) 0.045(3) Uani 1 1 d . . .
H18A H 0.8476 0.5894 0.4179 0.067 Uiso 1 1 calc R . .
H18B H 0.7899 0.7064 0.4243 0.067 Uiso 1 1 calc R . .
H18C H 0.9082 0.6816 0.3875 0.067 Uiso 1 1 calc R . .
C23 C 0.6045(12) 0.5168(8) 0.2790(3) 0.027(2) Uani 1 1 d . . .
C26 C 0.4428(12) 0.5354(10) 0.2935(4) 0.038(3) Uani 1 1 d . . .
H26A H 0.4193 0.4863 0.3173 0.057 Uiso 1 1 calc R . .
H26B H 0.3756 0.5245 0.2679 0.057 Uiso 1 1 calc R . .
H26C H 0.4328 0.6072 0.3044 0.057 Uiso 1 1 calc R . .
C16 C 0.5568(13) 0.6147(9) 0.3955(4) 0.040(3) Uani 1 1 d . . .
H16A H 0.4707 0.6093 0.3754 0.060 Uiso 1 1 calc R . .
H16B H 0.5437 0.6730 0.4162 0.060 Uiso 1 1 calc R . .
H16C H 0.5687 0.5496 0.4124 0.060 Uiso 1 1 calc R . .
C5 C 0.4303(14) 0.1411(11) 0.4360(4) 0.044(3) Uani 1 1 d . . .
H5A H 0.4271 0.1661 0.4051 0.067 Uiso 1 1 calc R . .
H5B H 0.3311 0.1405 0.4475 0.067 Uiso 1 1 calc R . .
H5C H 0.4708 0.0702 0.4371 0.067 Uiso 1 1 calc R . .
C21 C 0.9837(14) 0.6277(11) 0.2944(5) 0.047(3) Uani 1 1 d . . .
H21A H 0.9190 0.6507 0.2697 0.071 Uiso 1 1 calc R . .
H21B H 1.0844 0.6230 0.2842 0.071 Uiso 1 1 calc R . .
H21C H 0.9795 0.6782 0.3189 0.071 Uiso 1 1 calc R . .
C14 C 0.7044(18) 0.0850(10) 0.3693(4) 0.050(4) Uani 1 1 d . . .
H14A H 0.6060 0.0609 0.3764 0.075 Uiso 1 1 calc R . .
H14B H 0.7558 0.0294 0.3536 0.075 Uiso 1 1 calc R . .
H14C H 0.6970 0.1471 0.3502 0.075 Uiso 1 1 calc R . .
C10 C 0.9956(15) 0.3400(13) 0.4651(5) 0.058(4) Uani 1 1 d . . .
H10A H 1.0398 0.2898 0.4448 0.087 Uiso 1 1 calc R . .
H10B H 1.0647 0.3554 0.4898 0.087 Uiso 1 1 calc R . .
H10C H 0.9721 0.4047 0.4489 0.087 Uiso 1 1 calc R . .
C20 C 1.0452(13) 0.4837(11) 0.3498(5) 0.048(3) Uani 1 1 d . . .
H20A H 1.0446 0.5357 0.3738 0.071 Uiso 1 1 calc R . .
H20B H 1.1438 0.4787 0.3381 0.071 Uiso 1 1 calc R . .
H20C H 1.0160 0.4155 0.3615 0.071 Uiso 1 1 calc R . .
C12 C 0.7888(17) 0.0154(10) 0.4454(4) 0.050(3) Uani 1 1 d . . .
H12A H 0.8343 0.0341 0.4743 0.075 Uiso 1 1 calc R . .
H12B H 0.8432 -0.0423 0.4322 0.075 Uiso 1 1 calc R . .
H12C H 0.6873 -0.0062 0.4496 0.075 Uiso 1 1 calc R . .
C9 C 0.7794(17) 0.3826(11) 0.5101(4) 0.055(4) Uani 1 1 d . . .
H9A H 0.7442 0.4365 0.4892 0.083 Uiso 1 1 calc R . .
H9B H 0.8514 0.4132 0.5311 0.083 Uiso 1 1 calc R . .
H9C H 0.6968 0.3549 0.5265 0.083 Uiso 1 1 calc R . .
C8 C 0.9058(17) 0.2013(13) 0.5169(5) 0.065(4) Uani 1 1 d . . .
H8A H 0.8206 0.1645 0.5282 0.097 Uiso 1 1 calc R . .
H8B H 0.9626 0.2317 0.5419 0.097 Uiso 1 1 calc R . .
H8C H 0.9672 0.1520 0.5009 0.097 Uiso 1 1 calc R . .
C22 C 0.9521(14) 0.4370(10) 0.2728(5) 0.049(3) Uani 1 1 d . . .
H22A H 0.9125 0.3693 0.2819 0.073 Uiso 1 1 calc R . .
H22B H 1.0563 0.4293 0.2667 0.073 Uiso 1 1 calc R . .
H22C H 0.8995 0.4613 0.2458 0.073 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 N1 2.099(9) . ?
Pt1 P1 2.331(2) . ?
Pt1 P2 2.343(2) . ?
Pt1 H 1.2721 . ?
P2 C15 1.877(11) . ?
P2 C23 1.891(10) . ?
P2 C19 1.911(12) . ?
P1 C11 1.888(11) . ?
P1 C3 1.917(10) . ?
P1 C7 1.920(12) . ?
P3 F5 1.560(11) . ?
P3 F1 1.562(10) . ?
P3 F6 1.568(10) . ?
P3 F2 1.571(8) . ?
P3 F3 1.575(9) . ?
P3 F4 1.589(8) . ?
C3 C5 1.536(15) . ?
C3 C4 1.541(14) . ?
C3 C6 1.551(15) . ?
N1 C1 1.123(14) . ?
C24 C23 1.543(15) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C17 C15 1.549(16) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C13 C11 1.556(17) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C15 C18 1.523(15) . ?
C15 C16 1.539(15) . ?
C2 C1 1.446(15) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C11 C14 1.533(17) . ?
C11 C12 1.543(15) . ?
C7 C9 1.527(19) . ?
C7 C10 1.535(18) . ?
C7 C8 1.565(18) . ?
C25 C23 1.545(14) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C19 C21 1.529(16) . ?
C19 C22 1.530(16) . ?
C19 C20 1.557(16) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C23 C26 1.540(15) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 P1 97.6(2) . . ?
N1 Pt1 P2 99.0(2) . . ?
P1 Pt1 P2 163.38(9) . . ?
N1 Pt1 H 144.6 . . ?
P1 Pt1 H 77.4 . . ?
P2 Pt1 H 89.4 . . ?
C15 P2 C23 109.8(5) . . ?
C15 P2 C19 109.6(5) . . ?
C23 P2 C19 107.4(5) . . ?
C15 P2 Pt1 105.3(3) . . ?
C23 P2 Pt1 113.6(3) . . ?
C19 P2 Pt1 111.2(3) . . ?
C11 P1 C3 109.9(5) . . ?
C11 P1 C7 108.8(6) . . ?
C3 P1 C7 106.8(5) . . ?
C11 P1 Pt1 109.1(4) . . ?
C3 P1 Pt1 112.3(3) . . ?
C7 P1 Pt1 110.0(4) . . ?
F5 P3 F1 93.6(9) . . ?
F5 P3 F6 89.6(8) . . ?
F1 P3 F6 176.7(8) . . ?
F5 P3 F2 88.2(6) . . ?
F1 P3 F2 87.6(6) . . ?
F6 P3 F2 91.8(6) . . ?
F5 P3 F3 176.7(8) . . ?
F1 P3 F3 89.4(8) . . ?
F6 P3 F3 87.3(6) . . ?
F2 P3 F3 90.7(5) . . ?
F5 P3 F4 92.1(6) . . ?
F1 P3 F4 91.0(6) . . ?
F6 P3 F4 89.5(6) . . ?
F2 P3 F4 178.6(6) . . ?
F3 P3 F4 89.0(5) . . ?
C5 C3 C4 107.7(9) . . ?
C5 C3 C6 107.1(10) . . ?
C4 C3 C6 108.7(9) . . ?
C5 C3 P1 110.9(7) . . ?
C4 C3 P1 114.8(8) . . ?
C6 C3 P1 107.3(7) . . ?
C1 N1 Pt1 178.0(11) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C18 C15 C16 105.2(9) . . ?
C18 C15 C17 106.3(9) . . ?
C16 C15 C17 106.9(10) . . ?
C18 C15 P2 112.5(8) . . ?
C16 C15 P2 109.3(7) . . ?
C17 C15 P2 115.9(7) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C14 C11 C12 108.6(10) . . ?
C14 C11 C13 104.5(10) . . ?
C12 C11 C13 108.8(10) . . ?
C14 C11 P1 109.3(8) . . ?
C12 C11 P1 116.1(8) . . ?
C13 C11 P1 108.9(8) . . ?
C9 C7 C10 105.6(11) . . ?
C9 C7 C8 110.7(12) . . ?
C10 C7 C8 105.2(11) . . ?
C9 C7 P1 109.7(9) . . ?
C10 C7 P1 113.0(9) . . ?
C8 C7 P1 112.4(9) . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N1 C1 C2 177.6(13) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C21 C19 C22 108.8(10) . . ?
C21 C19 C20 107.1(10) . . ?
C22 C19 C20 105.7(10) . . ?
C21 C19 P2 114.4(8) . . ?
C22 C19 P2 109.7(8) . . ?
C20 C19 P2 110.8(8) . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C26 C23 C24 108.0(9) . . ?
C26 C23 C25 106.3(9) . . ?
C24 C23 C25 106.6(9) . . ?
C26 C23 P2 109.2(7) . . ?
C24 C23 P2 109.5(7) . . ?
C25 C23 P2 116.9(8) . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 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
N1 Pt1 P2 C15 112.8(5) . . . . ?
P1 Pt1 P2 C15 -64.6(5) . . . . ?
N1 Pt1 P2 C23 -7.4(5) . . . . ?
P1 Pt1 P2 C23 175.3(4) . . . . ?
N1 Pt1 P2 C19 -128.7(5) . . . . ?
P1 Pt1 P2 C19 54.0(5) . . . . ?
N1 Pt1 P1 C11 75.3(5) . . . . ?
P2 Pt1 P1 C11 -107.3(5) . . . . ?
N1 Pt1 P1 C3 -46.7(4) . . . . ?
P2 Pt1 P1 C3 130.6(4) . . . . ?
N1 Pt1 P1 C7 -165.5(5) . . . . ?
P2 Pt1 P1 C7 11.9(6) . . . . ?
C11 P1 C3 C5 -43.2(9) . . . . ?
C7 P1 C3 C5 -160.9(8) . . . . ?
Pt1 P1 C3 C5 78.4(8) . . . . ?
C11 P1 C3 C4 79.2(9) . . . . ?
C7 P1 C3 C4 -38.6(9) . . . . ?
Pt1 P1 C3 C4 -159.2(7) . . . . ?
C11 P1 C3 C6 -159.8(8) . . . . ?
C7 P1 C3 C6 82.4(9) . . . . ?
Pt1 P1 C3 C6 -38.2(8) . . . . ?
P1 Pt1 N1 C1 -89(27) . . . . ?
P2 Pt1 N1 C1 92(27) . . . . ?
C23 P2 C15 C18 -163.8(8) . . . . ?
C19 P2 C15 C18 -46.1(9) . . . . ?
Pt1 P2 C15 C18 73.5(8) . . . . ?
C23 P2 C15 C16 79.7(8) . . . . ?
C19 P2 C15 C16 -162.6(8) . . . . ?
Pt1 P2 C15 C16 -42.9(8) . . . . ?
C23 P2 C15 C17 -41.1(10) . . . . ?
C19 P2 C15 C17 76.6(9) . . . . ?
Pt1 P2 C15 C17 -163.8(8) . . . . ?
C3 P1 C11 C14 76.3(9) . . . . ?
C7 P1 C11 C14 -167.2(8) . . . . ?
Pt1 P1 C11 C14 -47.2(9) . . . . ?
C3 P1 C11 C12 -46.9(11) . . . . ?
C7 P1 C11 C12 69.6(11) . . . . ?
Pt1 P1 C11 C12 -170.4(9) . . . . ?
C3 P1 C11 C13 -170.1(8) . . . . ?
C7 P1 C11 C13 -53.5(9) . . . . ?
Pt1 P1 C11 C13 66.4(8) . . . . ?
C11 P1 C7 C9 -168.3(9) . . . . ?
C3 P1 C7 C9 -49.8(10) . . . . ?
Pt1 P1 C7 C9 72.3(9) . . . . ?
C11 P1 C7 C10 74.2(11) . . . . ?
C3 P1 C7 C10 -167.3(10) . . . . ?
Pt1 P1 C7 C10 -45.2(11) . . . . ?
C11 P1 C7 C8 -44.7(11) . . . . ?
C3 P1 C7 C8 73.8(11) . . . . ?
Pt1 P1 C7 C8 -164.1(9) . . . . ?
Pt1 N1 C1 C2 -132(30) . . . . ?
C15 P2 C19 C21 -43.8(10) . . . . ?
C23 P2 C19 C21 75.3(9) . . . . ?
Pt1 P2 C19 C21 -159.8(8) . . . . ?
C15 P2 C19 C22 -166.4(8) . . . . ?
C23 P2 C19 C22 -47.2(9) . . . . ?
Pt1 P2 C19 C22 77.6(8) . . . . ?
C15 P2 C19 C20 77.2(9) . . . . ?
C23 P2 C19 C20 -163.6(8) . . . . ?
Pt1 P2 C19 C20 -38.7(9) . . . . ?
C15 P2 C23 C26 -50.2(8) . . . . ?
C19 P2 C23 C26 -169.2(7) . . . . ?
Pt1 P2 C23 C26 67.4(8) . . . . ?
C15 P2 C23 C24 -168.2(7) . . . . ?
C19 P2 C23 C24 72.7(8) . . . . ?
Pt1 P2 C23 C24 -50.6(8) . . . . ?
C15 P2 C23 C25 70.5(9) . . . . ?
C19 P2 C23 C25 -48.5(10) . . . . ?
Pt1 P2 C23 C25 -171.9(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.831
_refine_diff_density_min         -4.203
_refine_diff_density_rms         0.205
#============
#END OF CIF
####################################################################### 
# 
# 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_pp21n
_database_code_depnum_ccdc_archive 'CCDC 1479264'
_audit_update_record             
;
2016-05-11 deposited with the CCDC.
2016-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H36 F6 N2 P2 Pt'
_chemical_formula_weight         699.56

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   P2(1)/n

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

_cell_length_a                   11.4313(6)
_cell_length_b                   13.8224(8)
_cell_length_c                   17.2917(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.597(3)
_cell_angle_gamma                90.00
_cell_volume                     2618.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9792
_cell_measurement_theta_min      2.372
_cell_measurement_theta_max      29.296

_exptl_crystal_description       prism
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376
_exptl_absorpt_coefficient_mu    5.537
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4356
_exptl_absorpt_correction_T_max  0.5563
_exptl_absorpt_process_details   
; 
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption correction SADABS).
 R(int) =  0.1484 (selected reflections only, before parameter refinement)
 R(int) =  0.0833 (selected reflections only, after parameter refinement)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        .
_diffrn_reflns_number            35958
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.91
_diffrn_reflns_theta_max         25.50
_reflns_number_total             4785
_reflns_number_gt                4468
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1996)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

_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)+(0.0649P)²+17.2817P] 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         4785
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0412
_refine_ls_wR_factor_ref         0.1219
_refine_ls_wR_factor_gt          0.1198
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_restrained_S_all      1.126
_refine_ls_shift/su_max          0.000
_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 0.37081(2) 0.241312(17) 0.180323(15) 0.01374(12) Uani 1 1 d . . .
P1 P 0.35217(19) 0.25606(11) 0.04893(12) 0.0150(4) Uani 1 1 d . . .
P2 P 0.55270(18) 0.63193(14) 0.29633(11) 0.0223(4) Uani 1 1 d . . .
F5 F 0.5675(6) 0.7246(4) 0.3537(3) 0.0407(13) Uani 1 1 d . . .
F6 F 0.6529(4) 0.6755(4) 0.2574(3) 0.0326(10) Uani 1 1 d . . .
F2 F 0.5421(6) 0.5394(4) 0.2405(4) 0.0536(16) Uani 1 1 d . . .
F4 F 0.6597(6) 0.5808(4) 0.3638(3) 0.0539(16) Uani 1 1 d . . .
F1 F 0.4497(5) 0.6873(5) 0.2302(3) 0.0522(15) Uani 1 1 d . . .
F3 F 0.4550(6) 0.5879(4) 0.3360(4) 0.0606(18) Uani 1 1 d . . .
N2 N 0.3652(6) 0.2689(4) 0.2982(4) 0.0193(13) Uani 1 1 d . . .
N1 N 0.4557(5) 0.1038(4) 0.2162(3) 0.0179(12) Uani 1 1 d . . .
C9 C 0.2876(6) 0.1576(5) -0.0260(4) 0.0195(14) Uani 1 1 d . . .
C10 C 0.1974(7) 0.0986(6) 0.0065(4) 0.0247(16) Uani 1 1 d . . .
H10A H 0.1331 0.1414 0.0139 0.037 Uiso 1 1 calc R . .
H10B H 0.2410 0.0694 0.0583 0.037 Uiso 1 1 calc R . .
H10C H 0.1608 0.0475 -0.0322 0.037 Uiso 1 1 calc R . .
C11 C 0.2226(7) 0.1976(6) -0.1104(4) 0.0248(16) Uani 1 1 d . . .
H11A H 0.2805 0.2352 -0.1304 0.037 Uiso 1 1 calc R . .
H11B H 0.1547 0.2393 -0.1072 0.037 Uiso 1 1 calc R . .
H11C H 0.1910 0.1437 -0.1473 0.037 Uiso 1 1 calc R . .
C2 C 0.2387(6) 0.3564(5) 0.0467(4) 0.0185(14) Uani 1 1 d . . .
C5 C 0.4986(6) 0.3052(5) 0.0340(4) 0.0179(14) Uani 1 1 d . . .
C205 C 0.3995(6) 0.3571(5) 0.3306(4) 0.0198(14) Uani 1 1 d . . .
H205 H 0.4340 0.4019 0.3016 0.024 Uiso 1 1 calc R . .
C7 C 0.5410(7) 0.3919(6) 0.0904(4) 0.0260(16) Uani 1 1 d . . .
H7A H 0.5484 0.3724 0.1461 0.039 Uiso 1 1 calc R . .
H7B H 0.4812 0.4443 0.0747 0.039 Uiso 1 1 calc R . .
H7C H 0.6204 0.4143 0.0864 0.039 Uiso 1 1 calc R . .
C4 C 0.1077(6) 0.3191(6) 0.0313(5) 0.0239(15) Uani 1 1 d . . .
H4A H 0.0549 0.3721 0.0387 0.036 Uiso 1 1 calc R . .
H4B H 0.1063 0.2669 0.0694 0.036 Uiso 1 1 calc R . .
H4C H 0.0782 0.2945 -0.0240 0.036 Uiso 1 1 calc R . .
C8 C 0.6009(7) 0.2292(6) 0.0600(5) 0.0253(16) Uani 1 1 d . . .
H8A H 0.6801 0.2605 0.0666 0.038 Uiso 1 1 calc R . .
H8B H 0.5886 0.1788 0.0186 0.038 Uiso 1 1 calc R . .
H8C H 0.5990 0.2001 0.1113 0.038 Uiso 1 1 calc R . .
C203 C 0.3369(7) 0.3202(6) 0.4477(4) 0.0265(17) Uani 1 1 d . . .
H203 H 0.3265 0.3376 0.4985 0.032 Uiso 1 1 calc R . .
C105 C 0.5800(7) 0.0974(5) 0.2401(4) 0.0199(14) Uani 1 1 d . . .
H105 H 0.6267 0.1549 0.2440 0.024 Uiso 1 1 calc R . .
C101 C 0.3931(7) 0.0212(5) 0.2137(4) 0.0217(14) Uani 1 1 d . . .
H101 H 0.3065 0.0245 0.1980 0.026 Uiso 1 1 calc R . .
C1 C 0.2906(6) 0.3715(5) 0.1397(4) 0.0210(15) Uani 1 1 d . . .
H1A H 0.2244 0.3865 0.1643 0.025 Uiso 1 1 calc R . .
H1B H 0.3512 0.4246 0.1522 0.025 Uiso 1 1 calc R . .
C104 C 0.6400(7) 0.0104(6) 0.2587(4) 0.0251(16) Uani 1 1 d . . .
H104 H 0.7266 0.0082 0.2742 0.030 Uiso 1 1 calc R . .
C201 C 0.3172(6) 0.2062(6) 0.3409(4) 0.0217(15) Uani 1 1 d . . .
H201 H 0.2925 0.1442 0.3187 0.026 Uiso 1 1 calc R . .
C202 C 0.3027(8) 0.2282(7) 0.4150(5) 0.0310(18) Uani 1 1 d . . .
H202 H 0.2699 0.1818 0.4436 0.037 Uiso 1 1 calc R . .
C204 C 0.3858(7) 0.3846(6) 0.4051(4) 0.0241(16) Uani 1 1 d . . .
H204 H 0.4100 0.4473 0.4261 0.029 Uiso 1 1 calc R . .
C12 C 0.3877(7) 0.0859(6) -0.0328(5) 0.0286(17) Uani 1 1 d . . .
H12A H 0.3495 0.0283 -0.0626 0.043 Uiso 1 1 calc R . .
H12B H 0.4369 0.0671 0.0213 0.043 Uiso 1 1 calc R . .
H12C H 0.4402 0.1168 -0.0616 0.043 Uiso 1 1 calc R . .
C3 C 0.2359(7) 0.4456(6) -0.0055(5) 0.0278(17) Uani 1 1 d . . .
H3A H 0.1801 0.4937 0.0061 0.042 Uiso 1 1 calc R . .
H3B H 0.2075 0.4273 -0.0625 0.042 Uiso 1 1 calc R . .
H3C H 0.3181 0.4732 0.0065 0.042 Uiso 1 1 calc R . .
C102 C 0.4470(8) -0.0679(6) 0.2326(4) 0.0270(16) Uani 1 1 d . . .
H102 H 0.3988 -0.1244 0.2306 0.032 Uiso 1 1 calc R . .
C103 C 0.5730(8) -0.0736(6) 0.2547(5) 0.0299(18) Uani 1 1 d . . .
H103 H 0.6129 -0.1343 0.2669 0.036 Uiso 1 1 calc R . .
C6 C 0.4842(7) 0.3357(6) -0.0540(4) 0.0232(15) Uani 1 1 d . . .
H6A H 0.4152 0.3804 -0.0719 0.035 Uiso 1 1 calc R . .
H6B H 0.4693 0.2783 -0.0887 0.035 Uiso 1 1 calc R . .
H6C H 0.5591 0.3678 -0.0574 0.035 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 C1 2.050(7) . ?
Pt1 N2 2.093(7) . ?
Pt1 N1 2.144(6) . ?
Pt1 P1 2.230(2) . ?
P1 C9 1.878(7) . ?
P1 C5 1.892(7) . ?
P1 C2 1.892(7) . ?
P2 F1 1.584(5) . ?
P2 F2 1.586(6) . ?
P2 F3 1.589(6) . ?
P2 F4 1.595(5) . ?
P2 F5 1.599(5) . ?
P2 F6 1.603(5) . ?
N2 C205 1.352(9) . ?
N2 C201 1.352(10) . ?
N1 C101 1.342(9) . ?
N1 C105 1.364(9) . ?
C9 C11 1.540(9) . ?
C9 C10 1.541(10) . ?
C9 C12 1.544(10) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C2 C3 1.523(10) . ?
C2 C4 1.534(10) . ?
C2 C1 1.561(10) . ?
C5 C7 1.534(10) . ?
C5 C8 1.539(10) . ?
C5 C6 1.542(9) . ?
C205 C204 1.394(10) . ?
C205 H205 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C203 C204 1.373(11) . ?
C203 C202 1.401(12) . ?
C203 H203 0.9500 . ?
C105 C104 1.375(10) . ?
C105 H105 0.9500 . ?
C101 C102 1.374(11) . ?
C101 H101 0.9500 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C104 C103 1.382(12) . ?
C104 H104 0.9500 . ?
C201 C202 1.372(12) . ?
C201 H201 0.9500 . ?
C202 H202 0.9500 . ?
C204 H204 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C102 C103 1.383(12) . ?
C102 H102 0.9500 . ?
C103 H103 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 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
C1 Pt1 N2 92.2(3) . . ?
C1 Pt1 N1 176.8(2) . . ?
N2 Pt1 N1 91.0(2) . . ?
C1 Pt1 P1 70.6(2) . . ?
N2 Pt1 P1 162.79(18) . . ?
N1 Pt1 P1 106.23(16) . . ?
C9 P1 C5 110.8(3) . . ?
C9 P1 C2 112.7(3) . . ?
C5 P1 C2 111.3(3) . . ?
C9 P1 Pt1 122.7(2) . . ?
C5 P1 Pt1 110.0(2) . . ?
C2 P1 Pt1 87.3(2) . . ?
F1 P2 F2 92.2(4) . . ?
F1 P2 F3 91.5(4) . . ?
F2 P2 F3 90.7(3) . . ?
F1 P2 F4 177.3(4) . . ?
F2 P2 F4 89.8(4) . . ?
F3 P2 F4 90.1(4) . . ?
F1 P2 F5 89.2(3) . . ?
F2 P2 F5 178.3(4) . . ?
F3 P2 F5 90.1(3) . . ?
F4 P2 F5 88.7(3) . . ?
F1 P2 F6 89.3(3) . . ?
F2 P2 F6 89.3(3) . . ?
F3 P2 F6 179.1(4) . . ?
F4 P2 F6 89.0(3) . . ?
F5 P2 F6 89.8(3) . . ?
C205 N2 C201 117.8(7) . . ?
C205 N2 Pt1 118.8(5) . . ?
C201 N2 Pt1 123.0(5) . . ?
C101 N1 C105 117.0(6) . . ?
C101 N1 Pt1 123.5(5) . . ?
C105 N1 Pt1 119.5(5) . . ?
C11 C9 C10 110.1(6) . . ?
C11 C9 C12 109.0(6) . . ?
C10 C9 C12 106.0(6) . . ?
C11 C9 P1 112.5(5) . . ?
C10 C9 P1 107.7(5) . . ?
C12 C9 P1 111.4(5) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C3 C2 C4 108.3(6) . . ?
C3 C2 C1 116.1(6) . . ?
C4 C2 C1 106.8(6) . . ?
C3 C2 P1 120.3(5) . . ?
C4 C2 P1 112.8(5) . . ?
C1 C2 P1 91.2(4) . . ?
C7 C5 C8 105.8(6) . . ?
C7 C5 C6 109.8(6) . . ?
C8 C5 C6 109.4(6) . . ?
C7 C5 P1 108.9(5) . . ?
C8 C5 P1 110.1(5) . . ?
C6 C5 P1 112.6(5) . . ?
N2 C205 C204 122.1(7) . . ?
N2 C205 H205 118.9 . . ?
C204 C205 H205 118.9 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C204 C203 C202 118.8(7) . . ?
C204 C203 H203 120.6 . . ?
C202 C203 H203 120.6 . . ?
N1 C105 C104 122.3(7) . . ?
N1 C105 H105 118.9 . . ?
C104 C105 H105 118.9 . . ?
N1 C101 C102 123.8(7) . . ?
N1 C101 H101 118.1 . . ?
C102 C101 H101 118.1 . . ?
C2 C1 Pt1 103.7(4) . . ?
C2 C1 H1A 111.0 . . ?
Pt1 C1 H1A 111.0 . . ?
C2 C1 H1B 111.0 . . ?
Pt1 C1 H1B 111.0 . . ?
H1A C1 H1B 109.0 . . ?
C105 C104 C103 119.4(7) . . ?
C105 C104 H104 120.3 . . ?
C103 C104 H104 120.3 . . ?
N2 C201 C202 123.0(8) . . ?
N2 C201 H201 118.5 . . ?
C202 C201 H201 118.5 . . ?
C201 C202 C203 118.9(8) . . ?
C201 C202 H202 120.5 . . ?
C203 C202 H202 120.5 . . ?
C203 C204 C205 119.4(7) . . ?
C203 C204 H204 120.3 . . ?
C205 C204 H204 120.3 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C101 C102 C103 118.5(7) . . ?
C101 C102 H102 120.7 . . ?
C103 C102 H102 120.7 . . ?
C104 C103 C102 119.0(7) . . ?
C104 C103 H103 120.5 . . ?
C102 C103 H103 120.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 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 Pt1 P1 C9 -131.9(4) . . . . ?
N2 Pt1 P1 C9 -133.7(7) . . . . ?
N1 Pt1 P1 C9 48.3(3) . . . . ?
C1 Pt1 P1 C5 95.1(3) . . . . ?
N2 Pt1 P1 C5 93.3(7) . . . . ?
N1 Pt1 P1 C5 -84.7(3) . . . . ?
C1 Pt1 P1 C2 -16.6(3) . . . . ?
N2 Pt1 P1 C2 -18.3(7) . . . . ?
N1 Pt1 P1 C2 163.6(3) . . . . ?
C1 Pt1 N2 C205 -44.9(6) . . . . ?
N1 Pt1 N2 C205 134.9(5) . . . . ?
P1 Pt1 N2 C205 -43.3(10) . . . . ?
C1 Pt1 N2 C201 128.1(6) . . . . ?
N1 Pt1 N2 C201 -52.1(6) . . . . ?
P1 Pt1 N2 C201 129.7(6) . . . . ?
C1 Pt1 N1 C101 -93(5) . . . . ?
N2 Pt1 N1 C101 90.9(6) . . . . ?
P1 Pt1 N1 C101 -89.7(5) . . . . ?
C1 Pt1 N1 C105 84(5) . . . . ?
N2 Pt1 N1 C105 -91.8(5) . . . . ?
P1 Pt1 N1 C105 87.6(5) . . . . ?
C5 P1 C9 C11 -77.5(6) . . . . ?
C2 P1 C9 C11 47.9(6) . . . . ?
Pt1 P1 C9 C11 149.9(4) . . . . ?
C5 P1 C9 C10 161.0(5) . . . . ?
C2 P1 C9 C10 -73.6(5) . . . . ?
Pt1 P1 C9 C10 28.4(6) . . . . ?
C5 P1 C9 C12 45.2(6) . . . . ?
C2 P1 C9 C12 170.6(5) . . . . ?
Pt1 P1 C9 C12 -87.5(5) . . . . ?
C9 P1 C2 C3 -93.3(6) . . . . ?
C5 P1 C2 C3 31.8(7) . . . . ?
Pt1 P1 C2 C3 142.2(6) . . . . ?
C9 P1 C2 C4 36.5(6) . . . . ?
C5 P1 C2 C4 161.5(5) . . . . ?
Pt1 P1 C2 C4 -88.1(5) . . . . ?
C9 P1 C2 C1 145.2(4) . . . . ?
C5 P1 C2 C1 -89.7(5) . . . . ?
Pt1 P1 C2 C1 20.7(4) . . . . ?
C9 P1 C5 C7 174.3(5) . . . . ?
C2 P1 C5 C7 48.2(6) . . . . ?
Pt1 P1 C5 C7 -46.8(5) . . . . ?
C9 P1 C5 C8 -70.2(6) . . . . ?
C2 P1 C5 C8 163.7(5) . . . . ?
Pt1 P1 C5 C8 68.7(5) . . . . ?
C9 P1 C5 C6 52.3(6) . . . . ?
C2 P1 C5 C6 -73.9(6) . . . . ?
Pt1 P1 C5 C6 -168.9(5) . . . . ?
C201 N2 C205 C204 -0.5(10) . . . . ?
Pt1 N2 C205 C204 172.9(5) . . . . ?
C101 N1 C105 C104 1.9(10) . . . . ?
Pt1 N1 C105 C104 -175.6(5) . . . . ?
C105 N1 C101 C102 -0.9(10) . . . . ?
Pt1 N1 C101 C102 176.5(6) . . . . ?
C3 C2 C1 Pt1 -148.2(5) . . . . ?
C4 C2 C1 Pt1 91.0(5) . . . . ?
P1 C2 C1 Pt1 -23.3(4) . . . . ?
N2 Pt1 C1 C2 -159.7(4) . . . . ?
N1 Pt1 C1 C2 24(5) . . . . ?
P1 Pt1 C1 C2 20.8(4) . . . . ?
N1 C105 C104 C103 -1.2(11) . . . . ?
C205 N2 C201 C202 -0.3(11) . . . . ?
Pt1 N2 C201 C202 -173.4(6) . . . . ?
N2 C201 C202 C203 1.1(12) . . . . ?
C204 C203 C202 C201 -1.1(11) . . . . ?
C202 C203 C204 C205 0.3(11) . . . . ?
N2 C205 C204 C203 0.5(11) . . . . ?
N1 C101 C102 C103 -0.8(12) . . . . ?
C105 C104 C103 C102 -0.6(12) . . . . ?
C101 C102 C103 C104 1.5(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         3.664
_refine_diff_density_min         -3.029
_refine_diff_density_rms         0.230
