# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2014

data_added_by_encifer
_publ_requested_journal          Chem.Commun.
_publ_contact_author_name        'Professor Robin N Perutz'
_publ_contact_author_address     
;Department of Chemistry
University of York
York
YO10 5DD
;
_publ_contact_author_email       robin.perutz@york.ac.uk
_publ_contact_author_phone       '(+44)904 322549'
loop_
_publ_author_name
_publ_author_address
'Perutz, Robin N'
;Department of Chemistry
University of York
York
YO10 5DD
;
'Jasim, Naser A'
;Department of Chemistry
University of York
York
YO10 5DD
;
'Procacci, Barbara'
;Department of Chemistry
University of York
York
YO10 5DD
;
'Whitwood, Adrian C'
;Department of Chemistry
University of York
York
YO10 5DD
;

data_rnp1020m
_audit_creation_date             2013-09-17
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C36 H57 F4 N O P2 Pt'
_chemical_formula_sum            'C36 H57 F4 N O P2 Pt'
_chemical_formula_weight         852.86
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   9.6998(8)
_cell_length_b                   26.160(2)
_cell_length_c                   13.9557(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.507(2)
_cell_angle_gamma                90.00
_cell_volume                     3481.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9158
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.99
_cell_measurement_theta_min      2.27
_exptl_absorpt_coefficient_mu    4.173
_exptl_absorpt_correction_T_max  0.660
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.1322 before and 0.0326 after correction.
The Ratio of minimum to maximum transmission is 0.6032.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            52381
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.56
_diffrn_ambient_temperature      110.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                8910
_reflns_number_total             10111
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.088
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         10111
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0235
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0226P)²+2.7577P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0511
_refine_ls_wR_factor_ref         0.0533
_refine_special_details          
;
 The largest peak in the difference map, Q1, 
 corresponds to the Pt in a minor non-merohedral
 twin, Q14 and Q19 correspond to twin sites of
 P1 and P2, respectively.  The minor twin component 
 is estimated to be  about 2.5% of the major component.
 The relationship between the coordinates of the
 major and minor components is -x, y+0.21, -z, ie a
 2-fold rotation about the b-axis with a translation
 of 0.21 along the same axis.

 The hydrogens of the methyl group bound to the platinum were located by
 difference map after all other atoms had been located.

 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. 
;
_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:
 C7(H7), C12(H12), C17(H17), C22(H22), C27(H27), C32(H32)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C13(H13A,H13B),
 C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C18(H18A,H18B), C19(H19A,H19B),
  C20(H20A,H20B), C21(H21A,H21B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,
 H25B), C26(H26A,H26B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B),
 C31(H31A,H31B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
C2 C 0.0904(2) 0.63598(9) 0.10628(16) 0.0190(4) Uani 1 1 d . . .
C6 C 0.2040(3) 0.60245(9) 0.10594(18) 0.0227(5) Uani 1 1 d . . .
C5 C 0.2834(3) 0.60477(11) 0.0337(2) 0.0320(6) Uani 1 1 d . . .
C4 C 0.1638(3) 0.67042(12) -0.03834(19) 0.0350(7) Uani 1 1 d . . .
C3 C 0.0746(3) 0.67128(10) 0.02738(18) 0.0269(5) Uani 1 1 d . . .
C1 C 0.0577(3) 0.57565(9) 0.44871(17) 0.0205(5) Uani 1 1 d . . .
H1A H -0.027(3) 0.5683(11) 0.469(2) 0.031 Uiso 1 1 d . . .
H1B H 0.111(3) 0.5964(11) 0.494(2) 0.031 Uiso 1 1 d . . .
H1C H 0.112(3) 0.5461(12) 0.450(2) 0.031 Uiso 1 1 d . . .
C7 C 0.0300(2) 0.47928(8) 0.22788(16) 0.0161(4) Uani 1 1 d . . .
H7 H 0.0839 0.4937 0.1795 0.019 Uiso 1 1 calc R . .
C8 C -0.0322(2) 0.42761(9) 0.18507(17) 0.0196(4) Uani 1 1 d . . .
H8A H -0.1345 0.4264 0.1837 0.024 Uiso 1 1 calc R . .
H8B H -0.0148 0.4229 0.1179 0.024 Uiso 1 1 calc R . .
C9 C 0.0430(3) 0.38617(10) 0.2529(2) 0.0324(6) Uani 1 1 d . . .
H9A H -0.0122 0.3768 0.3033 0.039 Uiso 1 1 calc R . .
H9B H 0.0583 0.3551 0.2156 0.039 Uiso 1 1 calc R . .
C10 C 0.1824(3) 0.41033(9) 0.29900(18) 0.0238(5) Uani 1 1 d . . .
H10A H 0.2244 0.3926 0.3600 0.029 Uiso 1 1 calc R . .
H10B H 0.2498 0.4098 0.2536 0.029 Uiso 1 1 calc R . .
C11 C 0.1397(2) 0.46479(9) 0.31907(17) 0.0201(5) Uani 1 1 d . . .
H11A H 0.2214 0.4881 0.3270 0.024 Uiso 1 1 calc R . .
H11B H 0.0980 0.4662 0.3787 0.024 Uiso 1 1 calc R . .
C12 C -0.1956(2) 0.50356(8) 0.33860(16) 0.0170(4) Uani 1 1 d . . .
H12 H -0.1280 0.4932 0.3984 0.020 Uiso 1 1 calc R . .
C13 C -0.2938(2) 0.54481(9) 0.37125(18) 0.0216(5) Uani 1 1 d . . .
H13A H -0.2649 0.5524 0.4415 0.026 Uiso 1 1 calc R . .
H13B H -0.2904 0.5768 0.3339 0.026 Uiso 1 1 calc R . .
C14 C -0.4407(3) 0.52206(11) 0.3507(2) 0.0358(6) Uani 1 1 d . . .
H14A H -0.4968 0.5342 0.3988 0.043 Uiso 1 1 calc R . .
H14B H -0.4900 0.5312 0.2844 0.043 Uiso 1 1 calc R . .
C15 C -0.4165(3) 0.46494(10) 0.3597(2) 0.0312(6) Uani 1 1 d . . .
H15A H -0.5000 0.4457 0.3272 0.037 Uiso 1 1 calc R . .
H15B H -0.3932 0.4544 0.4289 0.037 Uiso 1 1 calc R . .
C16 C -0.2919(2) 0.45666(9) 0.30784(18) 0.0210(5) Uani 1 1 d . . .
H16A H -0.3232 0.4557 0.2363 0.025 Uiso 1 1 calc R . .
H16B H -0.2426 0.4244 0.3293 0.025 Uiso 1 1 calc R . .
C17 C -0.2170(2) 0.53877(8) 0.13883(16) 0.0175(4) Uani 1 1 d . . .
H17 H -0.2883 0.5109 0.1358 0.021 Uiso 1 1 calc R . .
C18 C -0.2980(3) 0.59073(9) 0.13333(18) 0.0225(5) Uani 1 1 d . . .
H18A H -0.3929 0.5857 0.1485 0.027 Uiso 1 1 calc R . .
H18B H -0.2467 0.6157 0.1801 0.027 Uiso 1 1 calc R . .
C19 C -0.3071(3) 0.60959(10) 0.02790(19) 0.0256(5) Uani 1 1 d . . .
H19A H -0.4029 0.6219 0.0010 0.031 Uiso 1 1 calc R . .
H19B H -0.2399 0.6378 0.0251 0.031 Uiso 1 1 calc R . .
C20 C -0.2704(3) 0.56334(10) -0.02895(18) 0.0284(5) Uani 1 1 d . . .
H20A H -0.2336 0.5740 -0.0876 0.034 Uiso 1 1 calc R . .
H20B H -0.3532 0.5411 -0.0491 0.034 Uiso 1 1 calc R . .
C21 C -0.1572(3) 0.53597(9) 0.04422(16) 0.0211(5) Uani 1 1 d . . .
H21A H -0.0660 0.5539 0.0512 0.025 Uiso 1 1 calc R . .
H21B H -0.1454 0.5001 0.0246 0.025 Uiso 1 1 calc R . .
C22 C 0.2973(2) 0.68998(8) 0.40313(16) 0.0159(4) Uani 1 1 d . . .
H22 H 0.3198 0.7218 0.4426 0.019 Uiso 1 1 calc R . .
C23 C 0.3697(2) 0.69341(10) 0.31305(18) 0.0237(5) Uani 1 1 d . . .
H23A H 0.3165 0.6737 0.2579 0.028 Uiso 1 1 calc R . .
H23B H 0.3762 0.7294 0.2925 0.028 Uiso 1 1 calc R . .
C24 C 0.5167(3) 0.67054(12) 0.3458(2) 0.0344(6) Uani 1 1 d . . .
H24A H 0.5300 0.6405 0.3053 0.041 Uiso 1 1 calc R . .
H24B H 0.5896 0.6962 0.3397 0.041 Uiso 1 1 calc R . .
C25 C 0.5260(2) 0.65476(10) 0.45241(19) 0.0249(5) Uani 1 1 d . . .
H25A H 0.5673 0.6824 0.4970 0.030 Uiso 1 1 calc R . .
H25B H 0.5831 0.6234 0.4673 0.030 Uiso 1 1 calc R . .
C26 C 0.3730(2) 0.64506(9) 0.46081(17) 0.0190(4) Uani 1 1 d . . .
H26A H 0.3604 0.6457 0.5296 0.023 Uiso 1 1 calc R . .
H26B H 0.3394 0.6119 0.4313 0.023 Uiso 1 1 calc R . .
C27 C 0.0525(2) 0.70002(8) 0.48919(16) 0.0161(4) Uani 1 1 d . . .
H27 H 0.1157 0.6801 0.5405 0.019 Uiso 1 1 calc R . .
C28 C -0.0989(2) 0.68535(10) 0.49917(17) 0.0220(5) Uani 1 1 d . . .
H28A H -0.1637 0.6893 0.4360 0.026 Uiso 1 1 calc R . .
H28B H -0.1027 0.6495 0.5213 0.026 Uiso 1 1 calc R . .
C29 C -0.1388(3) 0.72246(9) 0.57565(19) 0.0246(5) Uani 1 1 d . . .
H29A H -0.2208 0.7434 0.5466 0.030 Uiso 1 1 calc R . .
H29B H -0.1625 0.7032 0.6316 0.030 Uiso 1 1 calc R . .
C30 C -0.0102(3) 0.75671(10) 0.60911(18) 0.0254(5) Uani 1 1 d . . .
H30A H -0.0390 0.7918 0.6231 0.030 Uiso 1 1 calc R . .
H30B H 0.0500 0.7426 0.6682 0.030 Uiso 1 1 calc R . .
C31 C 0.0665(2) 0.75629(9) 0.52234(17) 0.0203(4) Uani 1 1 d . . .
H31A H 0.1661 0.7662 0.5425 0.024 Uiso 1 1 calc R . .
H31B H 0.0211 0.7796 0.4701 0.024 Uiso 1 1 calc R . .
C32 C 0.0506(2) 0.73477(8) 0.28451(16) 0.0160(4) Uani 1 1 d . . .
H32 H 0.0741 0.7222 0.2217 0.019 Uiso 1 1 calc R . .
C33 C 0.1189(2) 0.78899(8) 0.30018(17) 0.0189(4) Uani 1 1 d . . .
H33A H 0.1640 0.7939 0.3691 0.023 Uiso 1 1 calc R . .
H33B H 0.1903 0.7937 0.2585 0.023 Uiso 1 1 calc R . .
C34 C -0.0037(3) 0.82704(9) 0.2712(2) 0.0275(5) Uani 1 1 d . . .
H34A H -0.0339 0.8412 0.3299 0.033 Uiso 1 1 calc R . .
H34B H 0.0242 0.8556 0.2323 0.033 Uiso 1 1 calc R . .
C35 C -0.1210(3) 0.79563(9) 0.21089(19) 0.0259(5) Uani 1 1 d . . .
H35A H -0.2137 0.8115 0.2108 0.031 Uiso 1 1 calc R . .
H35B H -0.1066 0.7919 0.1428 0.031 Uiso 1 1 calc R . .
C36 C -0.1093(2) 0.74422(9) 0.26295(19) 0.0220(5) Uani 1 1 d . . .
H36A H -0.1588 0.7171 0.2206 0.026 Uiso 1 1 calc R . .
H36B H -0.1477 0.7460 0.3239 0.026 Uiso 1 1 calc R . .
F6 F 0.23564(15) 0.56675(6) 0.17663(12) 0.0307(3) Uani 1 1 d . . .
F5 F 0.38376(17) 0.56927(8) 0.03353(14) 0.0469(5) Uani 1 1 d . . .
F4 F 0.1442(2) 0.70548(8) -0.11108(12) 0.0546(6) Uani 1 1 d . . .
F3 F -0.02968(19) 0.70601(6) 0.01884(12) 0.0368(4) Uani 1 1 d . . .
N1 N 0.2670(3) 0.63812(11) -0.03799(17) 0.0387(6) Uani 1 1 d . . .
O1 O 0.00415(17) 0.63639(6) 0.16567(11) 0.0186(3) Uani 1 1 d . . .
P1 P -0.08983(6) 0.53002(2) 0.25274(4) 0.01399(10) Uani 1 1 d . . .
P2 P 0.10619(6) 0.68359(2) 0.37288(4) 0.01320(10) Uani 1 1 d . . .
Pt1 Pt 0.024920(8) 0.605241(3) 0.310829(6) 0.01315(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
C2 C6 1.409(3) . ?
C2 C3 1.424(3) . ?
C2 O1 1.280(3) . ?
C6 C5 1.377(4) . ?
C6 F6 1.353(3) . ?
C5 F5 1.346(3) . ?
C5 N1 1.315(4) . ?
C4 C3 1.371(4) . ?
C4 F4 1.356(3) . ?
C4 N1 1.309(4) . ?
C3 F3 1.349(3) . ?
C1 H1A 0.93(3) . ?
C1 H1B 0.92(3) . ?
C1 H1C 0.93(3) . ?
C1 Pt1 2.044(2) . ?
C7 H7 1.0000 . ?
C7 C8 1.555(3) . ?
C7 C11 1.549(3) . ?
C7 P1 1.839(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.533(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.525(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.524(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12 1.0000 . ?
C12 C13 1.561(3) . ?
C12 C16 1.554(3) . ?
C12 P1 1.848(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.523(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.514(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.533(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17 1.0000 . ?
C17 C18 1.565(3) . ?
C17 C21 1.538(3) . ?
C17 P1 1.840(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.539(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.524(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.533(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22 1.0000 . ?
C22 C23 1.550(3) . ?
C22 C26 1.534(3) . ?
C22 P2 1.832(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.537(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.530(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.531(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27 1.0000 . ?
C27 C28 1.549(3) . ?
C27 C31 1.542(3) . ?
C27 P2 1.844(2) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.543(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.537(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.533(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32 1.0000 . ?
C32 C33 1.564(3) . ?
C32 C36 1.545(3) . ?
C32 P2 1.834(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.547(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.526(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.523(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
O1 Pt1 2.1586(15) . ?
P1 Pt1 2.3322(6) . ?
P2 Pt1 2.3072(6) . ?

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
C6 C2 C3 112.0(2) . . ?
O1 C2 C6 127.7(2) . . ?
O1 C2 C3 120.3(2) . . ?
C5 C6 C2 121.1(2) . . ?
F6 C6 C2 120.0(2) . . ?
F6 C6 C5 118.8(2) . . ?
F5 C5 C6 118.1(3) . . ?
N1 C5 C6 125.4(3) . . ?
N1 C5 F5 116.4(2) . . ?
F4 C4 C3 118.1(3) . . ?
N1 C4 C3 125.7(3) . . ?
N1 C4 F4 116.2(3) . . ?
C4 C3 C2 121.0(3) . . ?
F3 C3 C2 118.6(2) . . ?
F3 C3 C4 120.4(2) . . ?
H1A C1 H1B 110(3) . . ?
H1A C1 H1C 110(3) . . ?
H1B C1 H1C 104(3) . . ?
Pt1 C1 H1A 111.4(18) . . ?
Pt1 C1 H1B 113.1(19) . . ?
Pt1 C1 H1C 108.6(18) . . ?
C8 C7 H7 106.4 . . ?
C8 C7 P1 119.05(15) . . ?
C11 C7 H7 106.4 . . ?
C11 C7 C8 105.26(17) . . ?
C11 C7 P1 112.61(15) . . ?
P1 C7 H7 106.4 . . ?
C7 C8 H8A 110.6 . . ?
C7 C8 H8B 110.6 . . ?
H8A C8 H8B 108.7 . . ?
C9 C8 C7 105.66(18) . . ?
C9 C8 H8A 110.6 . . ?
C9 C8 H8B 110.6 . . ?
C8 C9 H9A 110.8 . . ?
C8 C9 H9B 110.8 . . ?
H9A C9 H9B 108.9 . . ?
C10 C9 C8 104.7(2) . . ?
C10 C9 H9A 110.8 . . ?
C10 C9 H9B 110.8 . . ?
C9 C10 H10A 111.3 . . ?
C9 C10 H10B 111.3 . . ?
H10A C10 H10B 109.2 . . ?
C11 C10 C9 102.4(2) . . ?
C11 C10 H10A 111.3 . . ?
C11 C10 H10B 111.3 . . ?
C7 C11 H11A 110.9 . . ?
C7 C11 H11B 110.9 . . ?
C10 C11 C7 104.28(18) . . ?
C10 C11 H11A 110.9 . . ?
C10 C11 H11B 110.9 . . ?
H11A C11 H11B 108.9 . . ?
C13 C12 H12 106.6 . . ?
C13 C12 P1 111.74(15) . . ?
C16 C12 H12 106.6 . . ?
C16 C12 C13 104.97(18) . . ?
C16 C12 P1 119.57(16) . . ?
P1 C12 H12 106.6 . . ?
C12 C13 H13A 110.5 . . ?
C12 C13 H13B 110.5 . . ?
H13A C13 H13B 108.7 . . ?
C14 C13 C12 105.9(2) . . ?
C14 C13 H13A 110.5 . . ?
C14 C13 H13B 110.5 . . ?
C13 C14 H14A 110.9 . . ?
C13 C14 H14B 110.9 . . ?
H14A C14 H14B 108.9 . . ?
C15 C14 C13 104.1(2) . . ?
C15 C14 H14A 110.9 . . ?
C15 C14 H14B 110.9 . . ?
C14 C15 H15A 111.2 . . ?
C14 C15 H15B 111.2 . . ?
C14 C15 C16 102.9(2) . . ?
H15A C15 H15B 109.1 . . ?
C16 C15 H15A 111.2 . . ?
C16 C15 H15B 111.2 . . ?
C12 C16 H16A 110.9 . . ?
C12 C16 H16B 110.9 . . ?
C15 C16 C12 104.12(19) . . ?
C15 C16 H16A 110.9 . . ?
C15 C16 H16B 110.9 . . ?
H16A C16 H16B 109.0 . . ?
C18 C17 H17 107.2 . . ?
C18 C17 P1 113.70(16) . . ?
C21 C17 H17 107.2 . . ?
C21 C17 C18 105.29(18) . . ?
C21 C17 P1 115.93(16) . . ?
P1 C17 H17 107.2 . . ?
C17 C18 H18A 110.7 . . ?
C17 C18 H18B 110.7 . . ?
H18A C18 H18B 108.8 . . ?
C19 C18 C17 105.44(19) . . ?
C19 C18 H18A 110.7 . . ?
C19 C18 H18B 110.7 . . ?
C18 C19 H19A 110.7 . . ?
C18 C19 H19B 110.7 . . ?
H19A C19 H19B 108.8 . . ?
C20 C19 C18 105.4(2) . . ?
C20 C19 H19A 110.7 . . ?
C20 C19 H19B 110.7 . . ?
C19 C20 H20A 111.1 . . ?
C19 C20 H20B 111.1 . . ?
C19 C20 C21 103.3(2) . . ?
H20A C20 H20B 109.1 . . ?
C21 C20 H20A 111.1 . . ?
C21 C20 H20B 111.1 . . ?
C17 C21 H21A 111.3 . . ?
C17 C21 H21B 111.3 . . ?
C20 C21 C17 102.32(19) . . ?
C20 C21 H21A 111.3 . . ?
C20 C21 H21B 111.3 . . ?
H21A C21 H21B 109.2 . . ?
C23 C22 H22 108.2 . . ?
C23 C22 P2 114.03(16) . . ?
C26 C22 H22 108.2 . . ?
C26 C22 C23 103.04(18) . . ?
C26 C22 P2 114.73(15) . . ?
P2 C22 H22 108.2 . . ?
C22 C23 H23A 110.6 . . ?
C22 C23 H23B 110.6 . . ?
H23A C23 H23B 108.8 . . ?
C24 C23 C22 105.6(2) . . ?
C24 C23 H23A 110.6 . . ?
C24 C23 H23B 110.6 . . ?
C23 C24 H24A 110.5 . . ?
C23 C24 H24B 110.5 . . ?
H24A C24 H24B 108.6 . . ?
C25 C24 C23 106.4(2) . . ?
C25 C24 H24A 110.5 . . ?
C25 C24 H24B 110.5 . . ?
C24 C25 H25A 111.1 . . ?
C24 C25 H25B 111.1 . . ?
C24 C25 C26 103.4(2) . . ?
H25A C25 H25B 109.0 . . ?
C26 C25 H25A 111.1 . . ?
C26 C25 H25B 111.1 . . ?
C22 C26 H26A 111.3 . . ?
C22 C26 H26B 111.3 . . ?
C25 C26 C22 102.17(18) . . ?
C25 C26 H26A 111.3 . . ?
C25 C26 H26B 111.3 . . ?
H26A C26 H26B 109.2 . . ?
C28 C27 H27 105.9 . . ?
C28 C27 P2 116.50(15) . . ?
C31 C27 H27 105.9 . . ?
C31 C27 C28 104.05(18) . . ?
C31 C27 P2 117.59(15) . . ?
P2 C27 H27 105.9 . . ?
C27 C28 H28A 110.6 . . ?
C27 C28 H28B 110.6 . . ?
H28A C28 H28B 108.8 . . ?
C29 C28 C27 105.52(19) . . ?
C29 C28 H28A 110.6 . . ?
C29 C28 H28B 110.6 . . ?
C28 C29 H29A 110.4 . . ?
C28 C29 H29B 110.4 . . ?
H29A C29 H29B 108.6 . . ?
C30 C29 C28 106.56(19) . . ?
C30 C29 H29A 110.4 . . ?
C30 C29 H29B 110.4 . . ?
C29 C30 H30A 111.0 . . ?
C29 C30 H30B 111.0 . . ?
H30A C30 H30B 109.0 . . ?
C31 C30 C29 103.86(19) . . ?
C31 C30 H30A 111.0 . . ?
C31 C30 H30B 111.0 . . ?
C27 C31 H31A 111.3 . . ?
C27 C31 H31B 111.3 . . ?
C30 C31 C27 102.41(18) . . ?
C30 C31 H31A 111.3 . . ?
C30 C31 H31B 111.3 . . ?
H31A C31 H31B 109.2 . . ?
C33 C32 H32 105.2 . . ?
C33 C32 P2 120.21(16) . . ?
C36 C32 H32 105.2 . . ?
C36 C32 C33 105.46(17) . . ?
C36 C32 P2 114.17(15) . . ?
P2 C32 H32 105.2 . . ?
C32 C33 H33A 110.7 . . ?
C32 C33 H33B 110.7 . . ?
H33A C33 H33B 108.8 . . ?
C34 C33 C32 105.15(18) . . ?
C34 C33 H33A 110.7 . . ?
C34 C33 H33B 110.7 . . ?
C33 C34 H34A 110.8 . . ?
C33 C34 H34B 110.8 . . ?
H34A C34 H34B 108.8 . . ?
C35 C34 C33 104.95(19) . . ?
C35 C34 H34A 110.8 . . ?
C35 C34 H34B 110.8 . . ?
C34 C35 H35A 111.1 . . ?
C34 C35 H35B 111.1 . . ?
H35A C35 H35B 109.1 . . ?
C36 C35 C34 103.23(19) . . ?
C36 C35 H35A 111.1 . . ?
C36 C35 H35B 111.1 . . ?
C32 C36 H36A 111.2 . . ?
C32 C36 H36B 111.2 . . ?
C35 C36 C32 102.67(19) . . ?
C35 C36 H36A 111.2 . . ?
C35 C36 H36B 111.2 . . ?
H36A C36 H36B 109.1 . . ?
C4 N1 C5 114.7(2) . . ?
C2 O1 Pt1 130.10(15) . . ?
C7 P1 C12 107.26(10) . . ?
C7 P1 C17 105.92(10) . . ?
C7 P1 Pt1 113.36(7) . . ?
C12 P1 Pt1 112.14(7) . . ?
C17 P1 C12 104.04(10) . . ?
C17 P1 Pt1 113.43(7) . . ?
C22 P2 C27 102.25(10) . . ?
C22 P2 C32 104.44(10) . . ?
C22 P2 Pt1 115.45(7) . . ?
C27 P2 Pt1 113.92(7) . . ?
C32 P2 C27 109.05(10) . . ?
C32 P2 Pt1 110.97(7) . . ?
C1 Pt1 O1 176.46(9) . . ?
C1 Pt1 P1 89.44(7) . . ?
C1 Pt1 P2 89.95(7) . . ?
O1 Pt1 P1 92.03(4) . . ?
O1 Pt1 P2 89.08(4) . . ?
P2 Pt1 P1 171.397(19) . . ?

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
C2 C6 C5 F5 -175.2(2) . . . . ?
C2 C6 C5 N1 2.7(4) . . . . ?
C2 O1 Pt1 C1 19.0(14) . . . . ?
C2 O1 Pt1 P1 -95.39(18) . . . . ?
C2 O1 Pt1 P2 93.15(18) . . . . ?
C6 C2 C3 C4 0.0(3) . . . . ?
C6 C2 C3 F3 -179.6(2) . . . . ?
C6 C2 O1 Pt1 21.2(3) . . . . ?
C6 C5 N1 C4 -1.2(4) . . . . ?
C3 C2 C6 C5 -1.8(3) . . . . ?
C3 C2 C6 F6 179.1(2) . . . . ?
C3 C2 O1 Pt1 -160.93(16) . . . . ?
C3 C4 N1 C5 -0.9(4) . . . . ?
C7 C8 C9 C10 -25.2(3) . . . . ?
C7 P1 Pt1 C1 -84.56(11) . . . . ?
C7 P1 Pt1 O1 92.22(9) . . . . ?
C7 P1 Pt1 P2 -170.54(13) . . . . ?
C8 C7 C11 C10 24.8(2) . . . . ?
C8 C7 P1 C12 57.94(19) . . . . ?
C8 C7 P1 C17 -52.72(19) . . . . ?
C8 C7 P1 Pt1 -177.72(14) . . . . ?
C8 C9 C10 C11 40.7(3) . . . . ?
C9 C10 C11 C7 -40.3(2) . . . . ?
C11 C7 C8 C9 0.2(2) . . . . ?
C11 C7 P1 C12 -65.95(18) . . . . ?
C11 C7 P1 C17 -176.61(15) . . . . ?
C11 C7 P1 Pt1 58.39(17) . . . . ?
C12 C13 C14 C15 28.6(3) . . . . ?
C12 P1 Pt1 C1 37.09(11) . . . . ?
C12 P1 Pt1 O1 -146.13(9) . . . . ?
C12 P1 Pt1 P2 -48.89(16) . . . . ?
C13 C12 C16 C15 -21.1(2) . . . . ?
C13 C12 P1 C7 175.64(16) . . . . ?
C13 C12 P1 C17 -72.41(18) . . . . ?
C13 C12 P1 Pt1 50.56(17) . . . . ?
C13 C14 C15 C16 -42.1(3) . . . . ?
C14 C15 C16 C12 39.0(3) . . . . ?
C16 C12 C13 C14 -4.3(3) . . . . ?
C16 C12 P1 C7 -61.27(19) . . . . ?
C16 C12 P1 C17 50.68(19) . . . . ?
C16 C12 P1 Pt1 173.65(15) . . . . ?
C17 C18 C19 C20 15.1(3) . . . . ?
C17 P1 Pt1 C1 154.59(11) . . . . ?
C17 P1 Pt1 O1 -28.64(9) . . . . ?
C17 P1 Pt1 P2 68.61(15) . . . . ?
C18 C17 C21 C20 -33.4(2) . . . . ?
C18 C17 P1 C7 -161.81(16) . . . . ?
C18 C17 P1 C12 85.27(18) . . . . ?
C18 C17 P1 Pt1 -36.85(18) . . . . ?
C18 C19 C20 C21 -36.2(3) . . . . ?
C19 C20 C21 C17 43.1(2) . . . . ?
C21 C17 C18 C19 11.5(2) . . . . ?
C21 C17 P1 C7 -39.56(19) . . . . ?
C21 C17 P1 C12 -152.48(16) . . . . ?
C21 C17 P1 Pt1 85.40(17) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C22 P2 Pt1 C1 79.85(11) . . . . ?
C22 P2 Pt1 O1 -96.74(9) . . . . ?
C22 P2 Pt1 P1 165.79(13) . . . . ?
C23 C22 C26 C25 42.0(2) . . . . ?
C23 C22 P2 C27 -163.66(16) . . . . ?
C23 C22 P2 C32 -50.04(18) . . . . ?
C23 C22 P2 Pt1 72.08(17) . . . . ?
C23 C24 C25 C26 26.1(3) . . . . ?
C24 C25 C26 C22 -42.3(2) . . . . ?
C26 C22 C23 C24 -25.8(2) . . . . ?
C26 C22 P2 C27 77.82(17) . . . . ?
C26 C22 P2 C32 -168.55(16) . . . . ?
C26 C22 P2 Pt1 -46.43(18) . . . . ?
C27 C28 C29 C30 -1.0(3) . . . . ?
C27 P2 Pt1 C1 -38.07(11) . . . . ?
C27 P2 Pt1 O1 145.34(9) . . . . ?
C27 P2 Pt1 P1 47.87(16) . . . . ?
C28 C27 C31 C30 39.9(2) . . . . ?
C28 C27 P2 C22 -164.68(17) . . . . ?
C28 C27 P2 C32 85.14(19) . . . . ?
C28 C27 P2 Pt1 -39.42(19) . . . . ?
C28 C29 C30 C31 25.7(3) . . . . ?
C29 C30 C31 C27 -40.5(2) . . . . ?
C31 C27 C28 C29 -24.0(2) . . . . ?
C31 C27 P2 C22 70.80(19) . . . . ?
C31 C27 P2 C32 -39.4(2) . . . . ?
C31 C27 P2 Pt1 -163.93(14) . . . . ?
C32 C33 C34 C35 -18.0(3) . . . . ?
C32 P2 Pt1 C1 -161.59(11) . . . . ?
C32 P2 Pt1 O1 21.81(9) . . . . ?
C32 P2 Pt1 P1 -75.65(15) . . . . ?
C33 C32 C36 C35 31.7(2) . . . . ?
C33 C32 P2 C22 -41.6(2) . . . . ?
C33 C32 P2 C27 67.06(19) . . . . ?
C33 C32 P2 Pt1 -166.66(15) . . . . ?
C33 C34 C35 C36 38.2(3) . . . . ?
C34 C35 C36 C32 -43.2(2) . . . . ?
C36 C32 C33 C34 -8.5(2) . . . . ?
C36 C32 P2 C22 -168.48(16) . . . . ?
C36 C32 P2 C27 -59.77(19) . . . . ?
C36 C32 P2 Pt1 66.51(17) . . . . ?
F6 C6 C5 F5 3.9(3) . . . . ?
F6 C6 C5 N1 -178.3(2) . . . . ?
F5 C5 N1 C4 176.7(2) . . . . ?
F4 C4 C3 C2 -179.2(2) . . . . ?
F4 C4 C3 F3 0.3(4) . . . . ?
F4 C4 N1 C5 179.8(2) . . . . ?
N1 C4 C3 C2 1.5(4) . . . . ?
N1 C4 C3 F3 -179.0(2) . . . . ?
O1 C2 C6 C5 176.2(2) . . . . ?
O1 C2 C6 F6 -2.9(4) . . . . ?
O1 C2 C3 C4 -178.2(2) . . . . ?
O1 C2 C3 F3 2.3(3) . . . . ?
P1 C7 C8 C9 -127.2(2) . . . . ?
P1 C7 C11 C10 156.00(16) . . . . ?
P1 C12 C13 C14 126.69(19) . . . . ?
P1 C12 C16 C15 -147.49(18) . . . . ?
P1 C17 C18 C19 139.50(17) . . . . ?
P1 C17 C21 C20 -160.04(16) . . . . ?
P2 C22 C23 C24 -150.83(19) . . . . ?
P2 C22 C26 C25 166.52(16) . . . . ?
P2 C27 C28 C29 -155.20(16) . . . . ?
P2 C27 C31 C30 170.46(16) . . . . ?
P2 C32 C33 C34 -139.23(18) . . . . ?
P2 C32 C36 C35 165.87(16) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 966767'
data_added_by_encifer
_publ_requested_journal          Chem.Commun.
_publ_contact_author_name        'Professor Robin N Perutz'
_publ_contact_author_address     
;Department of Chemistry
University of York
York
YO10 5DD
;
_publ_contact_author_email       robin.perutz@york.ac.uk
_publ_contact_author_phone       '(+44)904 322549'
loop_
_publ_author_name
_publ_author_address
'Perutz, Robin N'
;Department of Chemistry
University of York
York
YO10 5DD
;
'Jasim, Naser A'
;Department of Chemistry
University of York
York
YO10 5DD
;
'Procacci, Barbara'
;Department of Chemistry
University of York
York
YO10 5DD
;
'Whitwood, Adrian C'
;Department of Chemistry
University of York
York
YO10 5DD
;

###END
data_rnp1103
_audit_creation_date             2013-10-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_publ_contact_author_address     ?
_publ_contact_author_email       ?
_publ_contact_author_phone       ?
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C37 H57 F5 O P2 Pt'
_chemical_formula_sum            'C37 H57 F5 O P2 Pt'
_chemical_formula_weight         869.86
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C37 H57 F5 O P2 Pt'
_chemical_oxdiff_usercomment     "Naser's Pt anisol"
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   9.8789(6)
_cell_length_b                   26.7643(10)
_cell_length_c                   13.7600(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.677(5)
_cell_angle_gamma                90.00
_cell_volume                     3535.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16415
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      29.0222
_cell_measurement_theta_min      2.8796
_exptl_absorpt_coefficient_mu    4.116
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67459
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.4069
_exptl_crystal_size_mid          0.2344
_exptl_crystal_size_min          0.1778
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            27536
_diffrn_reflns_theta_full        25.63
_diffrn_reflns_theta_max         25.63
_diffrn_reflns_theta_min         2.89
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean 16.1450
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -49.00   50.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -      -17.6138    0.0000 -180.0000 99

#__ type_ start__ end____ width___ exp.time_
  2 omega   -4.00   62.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -       18.8638 -113.0000  114.0000 66

#__ type_ start__ end____ width___ exp.time_
  3 omega   16.00   67.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -       18.8638 -113.0000  -25.0000 51

#__ type_ start__ end____ width___ exp.time_
  4 omega  -17.00    8.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -      -17.6138  -37.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
  5 omega   37.00   78.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -       18.8638   77.0000    0.0000 41

#__ type_ start__ end____ width___ exp.time_
  6 omega  -53.00  -28.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -       18.8638  -37.0000 -150.0000 25

#__ type_ start__ end____ width___ exp.time_
  7 omega   19.00   45.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -       18.8638  -37.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
  8 omega   13.00   41.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -       18.8638  -37.0000 -120.0000 28

#__ type_ start__ end____ width___ exp.time_
  9 omega   20.00   46.00   1.0000    5.8000
omega____ theta____ kappa____ phi______ frames
    -       18.8638  -77.0000   30.0000 26
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0015976000
_diffrn_orient_matrix_UB_12      0.0244824000
_diffrn_orient_matrix_UB_13      0.0199374000
_diffrn_orient_matrix_UB_21      -0.0319055000
_diffrn_orient_matrix_UB_22      -0.0088897000
_diffrn_orient_matrix_UB_23      0.0376946000
_diffrn_orient_matrix_UB_31      0.0664959000
_diffrn_orient_matrix_UB_32      -0.0048974000
_diffrn_orient_matrix_UB_33      0.0313373000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7679
_reflns_number_total             8391
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.63
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         0.604
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         8391
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0261
_refine_ls_R_factor_gt           0.0224
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0153P)²+2.2905P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0455
_refine_ls_wR_factor_ref         0.0469
_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. 
;
_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
2. Restrained distances
 C36-C37 \\sim C36A-C37
 with sigma of 0.01
 C36-C35 \\sim C36A-C35
 with sigma of 0.01
 C31-C32 \\sim C31A-C32
 with sigma of 0.01
 C31-C30 \\sim C31A-C30
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C31) = Uanis(C31A)
Uanis(C36) = Uanis(C36A)
4. Others
 Sof(H30C)=Sof(H30D)=Sof(C31A)=Sof(H31C)=Sof(H31D)=Sof(H32C)=Sof(H32D)=1-FVAR(1)
 Sof(H30A)=Sof(H30B)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H32A)=Sof(H32B)=FVAR(1)
 Sof(H35C)=Sof(H35D)=Sof(C36A)=Sof(H36C)=Sof(H36D)=Sof(H37C)=Sof(H37D)=1-FVAR(2)
 Sof(H35A)=Sof(H35B)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(H37A)=Sof(H37B)=FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C8(H8), C13(H13), C18(H18), C23(H23), C28(H28), C33(H33)
5.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C19(H19A,H19B), C20(H20A,H20B),
  C21(H21A,H21B), C22(H22A,H22B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,
 H26B), C27(H27A,H27B), C29(H29A,H29B), C30(H30A,H30B), C30(H30C,H30D),
 C31(H31A,H31B), C31A(H31C,H31D), C32(H32A,H32B), C32(H32C,H32D), C34(H34A,
 H34B), C35(H35A,H35B), C35(H35C,H35D), C36(H36A,H36B), C36A(H36C,H36D),
 C37(H37A,H37B), C37(H37C,H37D)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
C1 C 0.5365(3) 0.42295(11) 0.94383(18) 0.0198(6) Uani 1 1 d . . .
C2 C 0.5227(2) 0.36245(9) 0.59317(16) 0.0134(5) Uani 1 1 d . . .
C7 C 0.6464(2) 0.38870(9) 0.59584(17) 0.0154(5) Uani 1 1 d . . .
C6 C 0.7293(2) 0.37974(10) 0.53032(19) 0.0203(5) Uani 1 1 d . . .
C5 C 0.6956(3) 0.34352(10) 0.45838(18) 0.0212(6) Uani 1 1 d . . .
C4 C 0.5754(3) 0.31679(10) 0.45172(17) 0.0207(5) Uani 1 1 d . . .
C3 C 0.4924(3) 0.32601(9) 0.51619(17) 0.0166(5) Uani 1 1 d . . .
C8 C 0.5255(2) 0.26935(9) 0.76845(17) 0.0134(5) Uani 1 1 d . . .
H8 H 0.5411 0.2828 0.7042 0.016 Uiso 1 1 calc R . .
C9 C 0.3701(2) 0.25534(9) 0.74604(18) 0.0172(5) Uani 1 1 d . . .
H9A H 0.3384 0.2506 0.8085 0.021 Uiso 1 1 calc R . .
H9B H 0.3118 0.2812 0.7047 0.021 Uiso 1 1 calc R . .
C10 C 0.3661(3) 0.20643(10) 0.68878(18) 0.0209(5) Uani 1 1 d . . .
H10A H 0.3703 0.2127 0.6186 0.025 Uiso 1 1 calc R . .
H10B H 0.2804 0.1874 0.6892 0.025 Uiso 1 1 calc R . .
C11 C 0.4954(3) 0.17843(9) 0.74541(19) 0.0214(6) Uani 1 1 d . . .
H11A H 0.5290 0.1552 0.7002 0.026 Uiso 1 1 calc R . .
H11B H 0.4745 0.1590 0.8013 0.026 Uiso 1 1 calc R . .
C12 C 0.6049(2) 0.21885(9) 0.78511(18) 0.0173(5) Uani 1 1 d . . .
H12A H 0.6795 0.2182 0.7481 0.021 Uiso 1 1 calc R . .
H12B H 0.6474 0.2136 0.8571 0.021 Uiso 1 1 calc R . .
C13 C 0.5291(2) 0.30131(9) 0.97596(16) 0.0139(5) Uani 1 1 d . . .
H13 H 0.5906 0.3213 1.0303 0.017 Uiso 1 1 calc R . .
C14 C 0.3779(2) 0.31433(11) 0.98053(18) 0.0213(6) Uani 1 1 d . . .
H14A H 0.3714 0.3496 1.0007 0.026 Uiso 1 1 calc R . .
H14B H 0.3130 0.3091 0.9145 0.026 Uiso 1 1 calc R . .
C15 C 0.3431(3) 0.27882(10) 1.0590(2) 0.0240(6) Uani 1 1 d . . .
H15A H 0.3213 0.2980 1.1148 0.029 Uiso 1 1 calc R . .
H15B H 0.2616 0.2578 1.0286 0.029 Uiso 1 1 calc R . .
C16 C 0.4723(3) 0.24634(11) 1.09661(19) 0.0238(6) Uani 1 1 d . . .
H16A H 0.5326 0.2605 1.1583 0.029 Uiso 1 1 calc R . .
H16B H 0.4458 0.2119 1.1105 0.029 Uiso 1 1 calc R . .
C17 C 0.5466(2) 0.24693(10) 1.01107(18) 0.0180(5) Uani 1 1 d . . .
H17A H 0.5019 0.2237 0.9570 0.022 Uiso 1 1 calc R . .
H17B H 0.6462 0.2380 1.0349 0.022 Uiso 1 1 calc R . .
C18 C 0.7679(2) 0.31595(9) 0.89199(16) 0.0127(5) Uani 1 1 d . . .
H18 H 0.7957 0.2846 0.9313 0.015 Uiso 1 1 calc R . .
C19 C 0.8329(2) 0.31486(10) 0.80013(18) 0.0190(5) Uani 1 1 d . . .
H19A H 0.8436 0.2800 0.7791 0.023 Uiso 1 1 calc R . .
H19B H 0.7732 0.3332 0.7434 0.023 Uiso 1 1 calc R . .
C20 C 0.9760(3) 0.34030(11) 0.8335(2) 0.0258(6) Uani 1 1 d . . .
H20A H 1.0510 0.3175 0.8244 0.031 Uiso 1 1 calc R . .
H20B H 0.9793 0.3711 0.7942 0.031 Uiso 1 1 calc R . .
C21 C 0.9927(3) 0.35278(10) 0.9439(2) 0.0234(6) Uani 1 1 d . . .
H21A H 1.0480 0.3837 0.9623 0.028 Uiso 1 1 calc R . .
H21B H 1.0385 0.3251 0.9871 0.028 Uiso 1 1 calc R . .
C22 C 0.8427(2) 0.36007(9) 0.95346(18) 0.0163(5) Uani 1 1 d . . .
H22A H 0.8043 0.3925 0.9248 0.020 Uiso 1 1 calc R . .
H22B H 0.8363 0.3581 1.0241 0.020 Uiso 1 1 calc R . .
C23 C 0.5212(2) 0.52042(9) 0.73581(17) 0.0154(5) Uani 1 1 d . A .
H23 H 0.5727 0.5066 0.6874 0.019 Uiso 1 1 calc R . .
C24 C 0.4679(3) 0.57263(9) 0.69504(18) 0.0186(5) Uani 1 1 d . . .
H24A H 0.4885 0.5786 0.6290 0.022 Uiso 1 1 calc R . .
H24B H 0.3660 0.5753 0.6878 0.022 Uiso 1 1 calc R . .
C25 C 0.5455(3) 0.61031(10) 0.7722(2) 0.0289(7) Uani 1 1 d . . .
H25A H 0.5637 0.6417 0.7395 0.035 Uiso 1 1 calc R . .
H25B H 0.4915 0.6181 0.8225 0.035 Uiso 1 1 calc R . .
C26 C 0.6809(3) 0.58367(10) 0.82013(19) 0.0224(6) Uani 1 1 d . . .
H26A H 0.7467 0.5843 0.7759 0.027 Uiso 1 1 calc R . .
H26B H 0.7261 0.5989 0.8853 0.027 Uiso 1 1 calc R . .
C27 C 0.6323(2) 0.53086(10) 0.83324(19) 0.0201(5) Uani 1 1 d . . .
H27A H 0.5914 0.5286 0.8922 0.024 Uiso 1 1 calc R . .
H27B H 0.7105 0.5069 0.8415 0.024 Uiso 1 1 calc R . .
C28 C 0.2711(2) 0.47450(10) 0.62211(17) 0.0176(5) Uani 1 1 d . A .
H28 H 0.2188 0.5068 0.6170 0.021 Uiso 1 1 calc R . .
C29 C 0.3418(3) 0.47302(10) 0.53351(17) 0.0209(5) Uani 1 1 d . A .
H29A H 0.3619 0.5072 0.5133 0.025 Uiso 1 1 calc R . .
H29B H 0.4298 0.4538 0.5510 0.025 Uiso 1 1 calc R . .
C30 C 0.2354(4) 0.44716(15) 0.4504(2) 0.0503(10) Uani 1 1 d D . .
H30A H 0.2120 0.4689 0.3906 0.060 Uiso 0.611(7) 1 calc PR A 1
H30B H 0.2746 0.4156 0.4316 0.060 Uiso 0.611(7) 1 calc PR A 1
H30C H 0.1739 0.4724 0.4094 0.060 Uiso 0.389(7) 1 calc PR A 2
H30D H 0.2839 0.4287 0.4063 0.060 Uiso 0.389(7) 1 calc PR A 2
C31 C 0.1124(5) 0.4370(3) 0.4853(3) 0.0277(12) Uani 0.611(7) 1 d PD A 1
H31A H 0.0683 0.4055 0.4560 0.033 Uiso 0.611(7) 1 calc PR A 1
H31B H 0.0442 0.4645 0.4668 0.033 Uiso 0.611(7) 1 calc PR A 1
C31A C 0.1529(9) 0.4129(3) 0.4940(5) 0.0277(12) Uani 0.389(7) 1 d PD A 2
H31C H 0.1910 0.3786 0.4960 0.033 Uiso 0.389(7) 1 calc PR A 2
H31D H 0.0551 0.4125 0.4546 0.033 Uiso 0.389(7) 1 calc PR A 2
C32 C 0.1615(3) 0.43245(12) 0.60114(19) 0.0265(6) Uani 1 1 d D . .
H32A H 0.0845 0.4387 0.6344 0.032 Uiso 0.611(7) 1 calc PR A 1
H32B H 0.2034 0.3994 0.6218 0.032 Uiso 0.611(7) 1 calc PR A 1
H32C H 0.0697 0.4454 0.6065 0.032 Uiso 0.389(7) 1 calc PR A 2
H32D H 0.1890 0.4051 0.6503 0.032 Uiso 0.389(7) 1 calc PR A 2
C33 C 0.2874(2) 0.49791(9) 0.83128(17) 0.0136(5) Uani 1 1 d . A .
H33 H 0.3554 0.5057 0.8958 0.016 Uiso 1 1 calc R . .
C34 C 0.1970(3) 0.54517(10) 0.8027(2) 0.0213(5) Uani 1 1 d . A .
H34A H 0.2514 0.5758 0.8258 0.026 Uiso 1 1 calc R . .
H34B H 0.1595 0.5472 0.7294 0.026 Uiso 1 1 calc R . .
C35 C 0.0796(3) 0.53843(11) 0.8568(2) 0.0306(7) Uani 1 1 d D . .
H35A H 0.1115 0.5467 0.9287 0.037 Uiso 0.924(7) 1 calc PR B 1
H35B H -0.0017 0.5595 0.8265 0.037 Uiso 0.924(7) 1 calc PR B 1
H35C H 0.0862 0.5647 0.9083 0.037 Uiso 0.076(7) 1 calc PR B 2
H35D H -0.0115 0.5419 0.8083 0.037 Uiso 0.076(7) 1 calc PR B 2
C36 C 0.0448(3) 0.48344(11) 0.8419(3) 0.0291(9) Uani 0.924(7) 1 d PD B 1
H36A H -0.0137 0.4771 0.7740 0.035 Uiso 0.924(7) 1 calc PR B 1
H36B H -0.0051 0.4714 0.8918 0.035 Uiso 0.924(7) 1 calc PR B 1
C36A C 0.089(4) 0.4878(6) 0.905(3) 0.0291(9) Uani 0.076(7) 1 d PD B 2
H36C H -0.0037 0.4719 0.8936 0.035 Uiso 0.076(7) 1 calc PR B 2
H36D H 0.1284 0.4905 0.9785 0.035 Uiso 0.076(7) 1 calc PR B 2
C37 C 0.1860(2) 0.45787(10) 0.85600(18) 0.0180(5) Uani 1 1 d D . .
H37A H 0.1795 0.4289 0.8104 0.022 Uiso 0.924(7) 1 calc PR B 1
H37B H 0.2191 0.4460 0.9257 0.022 Uiso 0.924(7) 1 calc PR B 1
H37C H 0.1331 0.4413 0.7944 0.022 Uiso 0.076(7) 1 calc PR B 2
H37D H 0.2374 0.4322 0.9022 0.022 Uiso 0.076(7) 1 calc PR B 2
F7 F 0.68828(14) 0.42497(5) 0.66479(10) 0.0208(3) Uani 1 1 d . . .
F6 F 0.84403(15) 0.40774(7) 0.53578(13) 0.0349(4) Uani 1 1 d . . .
F5 F 0.77492(17) 0.33611(7) 0.39214(12) 0.0355(4) Uani 1 1 d . . .
F4 F 0.53898(18) 0.28130(6) 0.38075(11) 0.0321(4) Uani 1 1 d . . .
F3 F 0.37525(15) 0.29849(6) 0.50792(10) 0.0250(3) Uani 1 1 d . . .
O1 O 0.43814(16) 0.36870(6) 0.65103(11) 0.0139(3) Uani 1 1 d . . .
P1 P 0.57701(6) 0.31970(2) 0.85972(4) 0.01092(12) Uani 1 1 d . . .
P2 P 0.39029(6) 0.47317(2) 0.74651(4) 0.01155(12) Uani 1 1 d . . .
Pt1 Pt 0.489129(9) 0.396405(3) 0.800405(6) 0.01081(3) Uani 1 1 d . A .
H1A H 0.587(3) 0.3991(10) 0.994(2) 0.023(8) Uiso 1 1 d . . .
H1B H 0.596(3) 0.4515(12) 0.950(2) 0.031(8) Uiso 1 1 d . . .
H1C H 0.455(3) 0.4320(12) 0.963(2) 0.043(10) Uiso 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 Pt1 2.045(2) . ?
C1 H1A 0.99(3) . ?
C1 H1B 0.96(3) . ?
C1 H1C 0.93(3) . ?
C2 C7 1.403(3) . ?
C2 C3 1.419(3) . ?
C2 O1 1.294(3) . ?
C7 C6 1.375(3) . ?
C7 F7 1.352(3) . ?
C6 C5 1.369(4) . ?
C6 F6 1.346(3) . ?
C5 C4 1.371(4) . ?
C5 F5 1.349(3) . ?
C4 C3 1.365(3) . ?
C4 F4 1.349(3) . ?
C3 F3 1.354(3) . ?
C8 H8 1.0000 . ?
C8 C9 1.538(3) . ?
C8 C12 1.553(3) . ?
C8 P1 1.830(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.523(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.526(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.537(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13 1.0000 . ?
C13 C14 1.550(3) . ?
C13 C17 1.530(3) . ?
C13 P1 1.839(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.537(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.530(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.527(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18 1.0000 . ?
C18 C19 1.547(3) . ?
C18 C22 1.536(3) . ?
C18 P1 1.835(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.538(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.527(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.530(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23 1.0000 . ?
C23 C24 1.551(3) . ?
C23 C27 1.544(3) . ?
C23 P2 1.839(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.532(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.522(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.517(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28 1.0000 . ?
C28 C29 1.542(3) . ?
C28 C32 1.541(4) . ?
C28 P2 1.834(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.524(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 H30C 0.9900 . ?
C30 H30D 0.9900 . ?
C30 C31 1.434(5) . ?
C30 C31A 1.447(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.557(5) . ?
C31A H31C 0.9900 . ?
C31A H31D 0.9900 . ?
C31A C32 1.548(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 H32C 0.9900 . ?
C32 H32D 0.9900 . ?
C33 H33 1.0000 . ?
C33 C34 1.545(3) . ?
C33 C37 1.558(3) . ?
C33 P2 1.842(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.529(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 H35C 0.9900 . ?
C35 H35D 0.9900 . ?
C35 C36 1.514(4) . ?
C35 C36A 1.504(11) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.525(4) . ?
C36A H36C 0.9900 . ?
C36A H36D 0.9900 . ?
C36A C37 1.526(10) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 H37C 0.9900 . ?
C37 H37D 0.9900 . ?
O1 Pt1 2.1304(15) . ?
P1 Pt1 2.3021(6) . ?
P2 Pt1 2.3200(6) . ?

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
Pt1 C1 H1A 114.5(16) . . ?
Pt1 C1 H1B 110.7(18) . . ?
Pt1 C1 H1C 110.5(19) . . ?
H1A C1 H1B 105(2) . . ?
H1A C1 H1C 107(3) . . ?
H1B C1 H1C 109(3) . . ?
C7 C2 C3 113.1(2) . . ?
O1 C2 C7 127.2(2) . . ?
O1 C2 C3 119.7(2) . . ?
C6 C7 C2 123.1(2) . . ?
F7 C7 C2 119.9(2) . . ?
F7 C7 C6 117.0(2) . . ?
C5 C6 C7 121.2(2) . . ?
F6 C6 C7 119.4(2) . . ?
F6 C6 C5 119.4(2) . . ?
C6 C5 C4 118.4(2) . . ?
F5 C5 C6 120.8(2) . . ?
F5 C5 C4 120.7(2) . . ?
C3 C4 C5 120.4(2) . . ?
F4 C4 C5 119.6(2) . . ?
F4 C4 C3 119.9(2) . . ?
C4 C3 C2 123.8(2) . . ?
F3 C3 C2 117.5(2) . . ?
F3 C3 C4 118.7(2) . . ?
C9 C8 H8 105.4 . . ?
C9 C8 C12 105.24(19) . . ?
C9 C8 P1 114.81(16) . . ?
C12 C8 H8 105.4 . . ?
C12 C8 P1 119.39(15) . . ?
P1 C8 H8 105.4 . . ?
C8 C9 H9A 111.3 . . ?
C8 C9 H9B 111.3 . . ?
H9A C9 H9B 109.2 . . ?
C10 C9 C8 102.5(2) . . ?
C10 C9 H9A 111.3 . . ?
C10 C9 H9B 111.3 . . ?
C9 C10 H10A 111.0 . . ?
C9 C10 H10B 111.0 . . ?
C9 C10 C11 103.98(19) . . ?
H10A C10 H10B 109.0 . . ?
C11 C10 H10A 111.0 . . ?
C11 C10 H10B 111.0 . . ?
C10 C11 H11A 110.6 . . ?
C10 C11 H11B 110.6 . . ?
C10 C11 C12 105.7(2) . . ?
H11A C11 H11B 108.7 . . ?
C12 C11 H11A 110.6 . . ?
C12 C11 H11B 110.6 . . ?
C8 C12 H12A 110.6 . . ?
C8 C12 H12B 110.6 . . ?
C11 C12 C8 105.74(18) . . ?
C11 C12 H12A 110.6 . . ?
C11 C12 H12B 110.6 . . ?
H12A C12 H12B 108.7 . . ?
C14 C13 H13 105.7 . . ?
C14 C13 P1 115.08(16) . . ?
C17 C13 H13 105.7 . . ?
C17 C13 C14 103.8(2) . . ?
C17 C13 P1 119.74(17) . . ?
P1 C13 H13 105.7 . . ?
C13 C14 H14A 110.6 . . ?
C13 C14 H14B 110.6 . . ?
H14A C14 H14B 108.8 . . ?
C15 C14 C13 105.5(2) . . ?
C15 C14 H14A 110.6 . . ?
C15 C14 H14B 110.6 . . ?
C14 C15 H15A 110.5 . . ?
C14 C15 H15B 110.5 . . ?
H15A C15 H15B 108.6 . . ?
C16 C15 C14 106.4(2) . . ?
C16 C15 H15A 110.5 . . ?
C16 C15 H15B 110.5 . . ?
C15 C16 H16A 110.9 . . ?
C15 C16 H16B 110.9 . . ?
H16A C16 H16B 108.9 . . ?
C17 C16 C15 104.3(2) . . ?
C17 C16 H16A 110.9 . . ?
C17 C16 H16B 110.9 . . ?
C13 C17 H17A 111.3 . . ?
C13 C17 H17B 111.3 . . ?
C16 C17 C13 102.4(2) . . ?
C16 C17 H17A 111.3 . . ?
C16 C17 H17B 111.3 . . ?
H17A C17 H17B 109.2 . . ?
C19 C18 H18 108.2 . . ?
C19 C18 P1 113.85(15) . . ?
C22 C18 H18 108.2 . . ?
C22 C18 C19 103.06(19) . . ?
C22 C18 P1 115.10(16) . . ?
P1 C18 H18 108.2 . . ?
C18 C19 H19A 110.5 . . ?
C18 C19 H19B 110.5 . . ?
H19A C19 H19B 108.7 . . ?
C20 C19 C18 106.1(2) . . ?
C20 C19 H19A 110.5 . . ?
C20 C19 H19B 110.5 . . ?
C19 C20 H20A 110.6 . . ?
C19 C20 H20B 110.6 . . ?
H20A C20 H20B 108.7 . . ?
C21 C20 C19 105.6(2) . . ?
C21 C20 H20A 110.6 . . ?
C21 C20 H20B 110.6 . . ?
C20 C21 H21A 111.1 . . ?
C20 C21 H21B 111.1 . . ?
C20 C21 C22 103.5(2) . . ?
H21A C21 H21B 109.0 . . ?
C22 C21 H21A 111.1 . . ?
C22 C21 H21B 111.1 . . ?
C18 C22 H22A 111.4 . . ?
C18 C22 H22B 111.4 . . ?
C21 C22 C18 101.8(2) . . ?
C21 C22 H22A 111.4 . . ?
C21 C22 H22B 111.4 . . ?
H22A C22 H22B 109.3 . . ?
C24 C23 H23 106.0 . . ?
C24 C23 P2 117.61(16) . . ?
C27 C23 H23 106.0 . . ?
C27 C23 C24 105.17(19) . . ?
C27 C23 P2 115.08(17) . . ?
P2 C23 H23 106.0 . . ?
C23 C24 H24A 110.6 . . ?
C23 C24 H24B 110.6 . . ?
H24A C24 H24B 108.7 . . ?
C25 C24 C23 105.72(19) . . ?
C25 C24 H24A 110.6 . . ?
C25 C24 H24B 110.6 . . ?
C24 C25 H25A 111.0 . . ?
C24 C25 H25B 111.0 . . ?
H25A C25 H25B 109.0 . . ?
C26 C25 C24 103.7(2) . . ?
C26 C25 H25A 111.0 . . ?
C26 C25 H25B 111.0 . . ?
C25 C26 H26A 111.3 . . ?
C25 C26 H26B 111.3 . . ?
H26A C26 H26B 109.2 . . ?
C27 C26 C25 102.6(2) . . ?
C27 C26 H26A 111.3 . . ?
C27 C26 H26B 111.3 . . ?
C23 C27 H27A 110.9 . . ?
C23 C27 H27B 110.9 . . ?
C26 C27 C23 104.2(2) . . ?
C26 C27 H27A 110.9 . . ?
C26 C27 H27B 110.9 . . ?
H27A C27 H27B 108.9 . . ?
C29 C28 H28 106.8 . . ?
C29 C28 P2 115.23(16) . . ?
C32 C28 H28 106.8 . . ?
C32 C28 C29 105.2(2) . . ?
C32 C28 P2 115.35(18) . . ?
P2 C28 H28 106.8 . . ?
C28 C29 H29A 110.9 . . ?
C28 C29 H29B 110.9 . . ?
H29A C29 H29B 109.0 . . ?
C30 C29 C28 104.1(2) . . ?
C30 C29 H29A 110.9 . . ?
C30 C29 H29B 110.9 . . ?
C29 C30 H30A 109.9 . . ?
C29 C30 H30B 109.9 . . ?
C29 C30 H30C 109.8 . . ?
C29 C30 H30D 109.8 . . ?
H30A C30 H30B 108.3 . . ?
H30A C30 H30C 30.0 . . ?
H30A C30 H30D 80.6 . . ?
H30B C30 H30C 131.3 . . ?
H30B C30 H30D 30.3 . . ?
H30C C30 H30D 108.2 . . ?
C31 C30 C29 108.8(3) . . ?
C31 C30 H30A 109.9 . . ?
C31 C30 H30B 109.9 . . ?
C31 C30 H30C 82.3 . . ?
C31 C30 H30D 133.0 . . ?
C31 C30 C31A 30.3(3) . . ?
C31A C30 C29 109.4(3) . . ?
C31A C30 H30A 132.3 . . ?
C31A C30 H30B 82.0 . . ?
C31A C30 H30C 109.8 . . ?
C31A C30 H30D 109.8 . . ?
C30 C31 H31A 110.6 . . ?
C30 C31 H31B 110.6 . . ?
C30 C31 C32 105.9(3) . . ?
H31A C31 H31B 108.7 . . ?
C32 C31 H31A 110.6 . . ?
C32 C31 H31B 110.6 . . ?
C30 C31A H31C 110.6 . . ?
C30 C31A H31D 110.6 . . ?
C30 C31A C32 105.8(4) . . ?
H31C C31A H31D 108.7 . . ?
C32 C31A H31C 110.6 . . ?
C32 C31A H31D 110.6 . . ?
C28 C32 C31 99.8(3) . . ?
C28 C32 C31A 107.6(3) . . ?
C28 C32 H32A 111.8 . . ?
C28 C32 H32B 111.8 . . ?
C28 C32 H32C 110.2 . . ?
C28 C32 H32D 110.2 . . ?
C31 C32 H32A 111.8 . . ?
C31 C32 H32B 111.8 . . ?
C31 C32 H32C 88.9 . . ?
C31 C32 H32D 136.5 . . ?
C31A C32 C31 28.1(3) . . ?
C31A C32 H32A 128.5 . . ?
C31A C32 H32B 84.1 . . ?
C31A C32 H32C 110.2 . . ?
C31A C32 H32D 110.2 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 24.3 . . ?
H32A C32 H32D 85.8 . . ?
H32B C32 H32C 128.4 . . ?
H32B C32 H32D 27.6 . . ?
H32C C32 H32D 108.5 . . ?
C34 C33 H33 106.4 . . ?
C34 C33 C37 104.81(18) . . ?
C34 C33 P2 120.37(17) . . ?
C37 C33 H33 106.4 . . ?
C37 C33 P2 111.74(16) . . ?
P2 C33 H33 106.4 . . ?
C33 C34 H34A 111.0 . . ?
C33 C34 H34B 111.0 . . ?
H34A C34 H34B 109.0 . . ?
C35 C34 C33 103.8(2) . . ?
C35 C34 H34A 111.0 . . ?
C35 C34 H34B 111.0 . . ?
C34 C35 H35A 111.2 . . ?
C34 C35 H35B 111.2 . . ?
C34 C35 H35C 109.6 . . ?
C34 C35 H35D 109.6 . . ?
H35A C35 H35B 109.1 . . ?
H35A C35 H35C 34.3 . . ?
H35A C35 H35D 132.5 . . ?
H35B C35 H35C 78.7 . . ?
H35B C35 H35D 31.2 . . ?
H35C C35 H35D 108.1 . . ?
C36 C35 C34 102.9(2) . . ?
C36 C35 H35A 111.2 . . ?
C36 C35 H35B 111.2 . . ?
C36 C35 H35C 139.7 . . ?
C36 C35 H35D 81.8 . . ?
C36A C35 C34 110.4(7) . . ?
C36A C35 H35A 77.6 . . ?
C36A C35 H35B 131.3 . . ?
C36A C35 H35C 109.6 . . ?
C36A C35 H35D 109.6 . . ?
C36A C35 C36 34.3(16) . . ?
C35 C36 H36A 110.9 . . ?
C35 C36 H36B 110.9 . . ?
C35 C36 C37 104.3(2) . . ?
H36A C36 H36B 108.9 . . ?
C37 C36 H36A 110.9 . . ?
C37 C36 H36B 110.9 . . ?
C35 C36A H36C 110.8 . . ?
C35 C36A H36D 110.8 . . ?
C35 C36A C37 104.7(7) . . ?
H36C C36A H36D 108.9 . . ?
C37 C36A H36C 110.8 . . ?
C37 C36A H36D 110.8 . . ?
C33 C37 H37A 110.5 . . ?
C33 C37 H37B 110.5 . . ?
C33 C37 H37C 111.0 . . ?
C33 C37 H37D 111.0 . . ?
C36 C37 C33 106.2(2) . . ?
C36 C37 C36A 33.9(16) . . ?
C36 C37 H37A 110.5 . . ?
C36 C37 H37B 110.5 . . ?
C36 C37 H37C 79.1 . . ?
C36 C37 H37D 135.1 . . ?
C36A C37 C33 103.8(10) . . ?
C36A C37 H37A 137.7 . . ?
C36A C37 H37B 80.4 . . ?
C36A C37 H37C 111.0 . . ?
C36A C37 H37D 111.0 . . ?
H37A C37 H37B 108.7 . . ?
H37A C37 H37C 33.2 . . ?
H37A C37 H37D 79.1 . . ?
H37B C37 H37C 132.3 . . ?
H37B C37 H37D 32.2 . . ?
H37C C37 H37D 109.0 . . ?
C2 O1 Pt1 126.79(14) . . ?
C8 P1 C13 108.22(11) . . ?
C8 P1 C18 103.24(11) . . ?
C8 P1 Pt1 113.14(8) . . ?
C13 P1 Pt1 113.20(8) . . ?
C18 P1 C13 103.65(10) . . ?
C18 P1 Pt1 114.48(8) . . ?
C23 P2 C33 107.89(11) . . ?
C23 P2 Pt1 112.56(8) . . ?
C28 P2 C23 102.73(11) . . ?
C28 P2 C33 104.80(11) . . ?
C28 P2 Pt1 116.38(9) . . ?
C33 P2 Pt1 111.68(8) . . ?
C1 Pt1 O1 179.55(10) . . ?
C1 Pt1 P1 89.23(8) . . ?
C1 Pt1 P2 89.07(8) . . ?
O1 Pt1 P1 90.86(5) . . ?
O1 Pt1 P2 90.81(5) . . ?
P1 Pt1 P2 176.43(2) . . ?

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
C2 C7 C6 C5 -0.9(4) . . . . ?
C2 C7 C6 F6 177.8(2) . . . . ?
C2 O1 Pt1 C1 179(100) . . . . ?
C2 O1 Pt1 P1 -79.18(18) . . . . ?
C2 O1 Pt1 P2 103.98(18) . . . . ?
C7 C2 C3 C4 0.7(3) . . . . ?
C7 C2 C3 F3 179.7(2) . . . . ?
C7 C2 O1 Pt1 -27.2(3) . . . . ?
C7 C6 C5 C4 1.2(4) . . . . ?
C7 C6 C5 F5 177.7(2) . . . . ?
C6 C5 C4 C3 -0.6(4) . . . . ?
C6 C5 C4 F4 179.2(2) . . . . ?
C5 C4 C3 C2 -0.4(4) . . . . ?
C5 C4 C3 F3 -179.3(2) . . . . ?
C3 C2 C7 C6 -0.1(3) . . . . ?
C3 C2 C7 F7 179.5(2) . . . . ?
C3 C2 O1 Pt1 153.56(17) . . . . ?
C8 C9 C10 C11 41.5(2) . . . . ?
C8 P1 Pt1 C1 164.55(12) . . . . ?
C8 P1 Pt1 O1 -15.01(9) . . . . ?
C8 P1 Pt1 P2 102.9(3) . . . . ?
C9 C8 C12 C11 14.3(2) . . . . ?
C9 C8 P1 C13 56.83(19) . . . . ?
C9 C8 P1 C18 166.26(17) . . . . ?
C9 C8 P1 Pt1 -69.44(18) . . . . ?
C9 C10 C11 C12 -33.0(3) . . . . ?
C10 C11 C12 C8 11.3(3) . . . . ?
C12 C8 C9 C10 -34.3(2) . . . . ?
C12 C8 P1 C13 -69.5(2) . . . . ?
C12 C8 P1 C18 39.9(2) . . . . ?
C12 C8 P1 Pt1 164.22(15) . . . . ?
C13 C14 C15 C16 -0.5(3) . . . . ?
C13 P1 Pt1 C1 40.97(12) . . . . ?
C13 P1 Pt1 O1 -138.59(9) . . . . ?
C13 P1 Pt1 P2 -20.7(3) . . . . ?
C14 C13 C17 C16 -40.3(2) . . . . ?
C14 C13 P1 C8 -86.4(2) . . . . ?
C14 C13 P1 C18 164.41(18) . . . . ?
C14 C13 P1 Pt1 39.8(2) . . . . ?
C14 C15 C16 C17 -24.6(3) . . . . ?
C15 C16 C17 C13 40.2(2) . . . . ?
C17 C13 C14 C15 25.2(2) . . . . ?
C17 C13 P1 C8 38.4(2) . . . . ?
C17 C13 P1 C18 -70.7(2) . . . . ?
C17 C13 P1 Pt1 164.64(15) . . . . ?
C18 C19 C20 C21 2.8(3) . . . . ?
C18 P1 Pt1 C1 -77.53(12) . . . . ?
C18 P1 Pt1 O1 102.91(9) . . . . ?
C18 P1 Pt1 P2 -139.2(3) . . . . ?
C19 C18 C22 C21 -41.4(2) . . . . ?
C19 C18 P1 C8 50.6(2) . . . . ?
C19 C18 P1 C13 163.39(18) . . . . ?
C19 C18 P1 Pt1 -72.83(18) . . . . ?
C19 C20 C21 C22 -28.7(3) . . . . ?
C20 C21 C22 C18 43.6(2) . . . . ?
C22 C18 C19 C20 23.9(2) . . . . ?
C22 C18 P1 C8 169.26(17) . . . . ?
C22 C18 P1 C13 -77.93(19) . . . . ?
C22 C18 P1 Pt1 45.85(18) . . . . ?
C23 C24 C25 C26 27.3(3) . . . . ?
C23 P2 Pt1 C1 80.02(12) . . . . ?
C23 P2 Pt1 O1 -100.42(9) . . . . ?
C23 P2 Pt1 P1 141.7(3) . . . . ?
C24 C23 C27 C26 -23.7(2) . . . . ?
C24 C23 P2 C28 50.9(2) . . . . ?
C24 C23 P2 C33 -59.5(2) . . . . ?
C24 C23 P2 Pt1 176.84(15) . . . . ?
C24 C25 C26 C27 -42.2(3) . . . . ?
C25 C26 C27 C23 40.8(3) . . . . ?
C27 C23 C24 C25 -2.3(3) . . . . ?
C27 C23 P2 C28 175.69(18) . . . . ?
C27 C23 P2 C33 65.3(2) . . . . ?
C27 C23 P2 Pt1 -58.36(19) . . . . ?
C28 C29 C30 C31 2.7(5) . . . . ?
C28 C29 C30 C31A -29.4(5) . . . . ?
C28 P2 Pt1 C1 -161.79(13) . . . . ?
C28 P2 Pt1 O1 17.78(10) . . . . ?
C28 P2 Pt1 P1 -100.1(3) . . . . ?
C29 C28 C32 C31 -36.8(3) . . . . ?
C29 C28 C32 C31A -9.0(5) . . . . ?
C29 C28 P2 C23 47.3(2) . . . . ?
C29 C28 P2 C33 160.02(19) . . . . ?
C29 C28 P2 Pt1 -76.1(2) . . . . ?
C29 C30 C31 C32 -26.6(6) . . . . ?
C29 C30 C31A C32 23.7(7) . . . . ?
C30 C31 C32 C28 39.1(5) . . . . ?
C30 C31 C32 C31A -70.2(6) . . . . ?
C30 C31A C32 C28 -8.7(7) . . . . ?
C30 C31A C32 C31 68.7(7) . . . . ?
C31 C30 C31A C32 -70.6(6) . . . . ?
C31A C30 C31 C32 69.9(6) . . . . ?
C32 C28 C29 C30 22.3(3) . . . . ?
C32 C28 P2 C23 170.33(18) . . . . ?
C32 C28 P2 C33 -77.0(2) . . . . ?
C32 C28 P2 Pt1 46.9(2) . . . . ?
C33 C34 C35 C36 -40.9(3) . . . . ?
C33 C34 C35 C36A -5.9(19) . . . . ?
C33 P2 Pt1 C1 -41.53(12) . . . . ?
C33 P2 Pt1 O1 138.04(9) . . . . ?
C33 P2 Pt1 P1 20.2(3) . . . . ?
C34 C33 C37 C36 -0.5(3) . . . . ?
C34 C33 C37 C36A -35.6(16) . . . . ?
C34 C33 P2 C23 63.7(2) . . . . ?
C34 C33 P2 C28 -45.2(2) . . . . ?
C34 C33 P2 Pt1 -172.05(16) . . . . ?
C34 C35 C36 C37 40.7(3) . . . . ?
C34 C35 C36A C37 -16(3) . . . . ?
C35 C36 C37 C33 -24.7(3) . . . . ?
C35 C36 C37 C36A 66.0(13) . . . . ?
C35 C36A C37 C33 31(3) . . . . ?
C35 C36A C37 C36 -67.2(14) . . . . ?
C36 C35 C36A C37 66.8(14) . . . . ?
C36A C35 C36 C37 -66.7(13) . . . . ?
C37 C33 C34 C35 25.3(3) . . . . ?
C37 C33 P2 C23 -172.71(15) . . . . ?
C37 C33 P2 C28 78.33(18) . . . . ?
C37 C33 P2 Pt1 -48.50(17) . . . . ?
F7 C7 C6 C5 179.6(2) . . . . ?
F7 C7 C6 F6 -1.7(3) . . . . ?
F6 C6 C5 C4 -177.5(2) . . . . ?
F6 C6 C5 F5 -1.0(4) . . . . ?
F5 C5 C4 C3 -177.1(2) . . . . ?
F5 C5 C4 F4 2.7(4) . . . . ?
F4 C4 C3 C2 179.8(2) . . . . ?
F4 C4 C3 F3 0.9(4) . . . . ?
O1 C2 C7 C6 -179.3(2) . . . . ?
O1 C2 C7 F7 0.2(4) . . . . ?
O1 C2 C3 C4 -180.0(2) . . . . ?
O1 C2 C3 F3 -1.0(3) . . . . ?
P1 C8 C9 C10 -167.66(16) . . . . ?
P1 C8 C12 C11 145.06(18) . . . . ?
P1 C13 C14 C15 158.01(17) . . . . ?
P1 C13 C17 C16 -170.33(16) . . . . ?
P1 C18 C19 C20 149.25(18) . . . . ?
P1 C18 C22 C21 -165.93(16) . . . . ?
P2 C23 C24 C25 127.3(2) . . . . ?
P2 C23 C27 C26 -154.77(18) . . . . ?
P2 C28 C29 C30 150.6(2) . . . . ?
P2 C28 C32 C31 -164.9(3) . . . . ?
P2 C28 C32 C31A -137.1(4) . . . . ?
P2 C33 C34 C35 152.08(19) . . . . ?
P2 C33 C37 C36 -132.5(2) . . . . ?
P2 C33 C37 C36A -167.5(16) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
14 0 -5 0.0917 14.0000 -0.0000 -5.0000 -0.0759 -0.6376 0.7732
13 -5 4 0.1010 13.0000 -5.0000 4.0000 -0.0224 -0.2230 1.0146
11 6 -15 0.1292 11.0000 6.0000 -15.0000 -0.1313 -0.9701 0.2295
-2 10 -17 0.2139 -2.0000 10.0000 -17.0000 -0.0939 -0.6631 -0.7173
-13 4 -1 0.1251 -13.0000 4.0000 -1.0000 0.0571 0.3446 -0.9152
-14 -2 9 0.0898 -14.0000 -2.0000 9.0000 0.1059 0.8056 -0.6374
-1 -10 19 0.1718 -1.0000 -10.0000 19.0000 0.1285 0.8347 0.5808
7 24 9 0.0747 7.0000 24.0000 9.0000 0.7788 -0.0963 0.6306
7 -31 1 0.1472 7.0000 -31.0000 1.0000 -0.7300 0.0846 0.6492
-5 -29 -8 0.1297 -5.0000 -29.0000 -8.0000 -0.8786 0.1136 -0.4416
-10 -10 -9 0.1305 -10.0000 -10.0000 -9.0000 -0.4400 0.0700 -0.8988
-1 13 18 0.0806 -1.0000 13.0000 18.0000 0.6736 0.5955 0.4363
4 -12 -18 0.1209 4.0000 -12.0000 -18.0000 -0.6441 -0.7006 -0.2418
13 -15 -4 0.0888 13.0000 -15.0000 -4.0000 -0.4261 -0.4364 0.8119
10 26 -1 0.0933 10.0000 26.0000 -1.0000 0.6351 -0.5864 0.5054
12 13 3 0.0686 12.0000 13.0000 3.0000 0.3983 -0.3862 0.8281
-12 -12 -4 0.1029 -12.0000 -12.0000 -4.0000 -0.3935 0.3398 -0.8645
13 16 -6 0.0810 13.0000 16.0000 -6.0000 0.2956 -0.7833 0.5965
4 -27 -13 0.1148 4.0000 -27.0000 -13.0000 -0.9136 -0.3810 -0.0106
-12 18 3 0.1347 -12.0000 18.0000 3.0000 0.4817 0.3404 -0.7917
-8 28 -3 0.1654 -8.0000 28.0000 -3.0000 0.6152 -0.1014 -0.7638


###END
_database_code_depnum_ccdc_archive 'CCDC 966768'
data_rnp1344
_ccdc_journal_manuscript_code    CC-COM-10-2013-04799
_publ_requested_journal          Chem.Commun.
_publ_contact_author_name        'Professor Robin Perutz'
_publ_contact_author_address     
;Department of Chemistry
University of York
Heslington
York
YO10 5DD 
UK	
;
_publ_contact_author_email       robin.perutz@york.ac.uk
loop_
_publ_author_name
_publ_author_address
'Whitwood, Adrian C'
;Department of Chemistry
University of York
Heslington
York
YO10 5DD 
UK	
;
'Jasim, Naserella A'
;Department of Chemistry
University of York
Heslington
York
YO10 5DD 
UK	
;
'Perutz, Robin N'
;Department of Chemistry
University of York
Heslington
York
YO10 5DD 
UK	
;
'Prosacci, Barbara'
;Department of Chemistry
University of York
Heslington
York
YO10 5DD 
UK	
;
_audit_creation_date             2014-01-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2013-4
_publ_section_references         
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.


Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst., 40, 786-790;
Palatinus, L. & van der Lee, A. (2008). J. Appl. Cryst. 41, 975-984;
Palatinus, L., Prathapa, S. J. & van Smaalen, S. (2012). J. Appl. Cryst. 45,
 575-580
Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C37 H59 F3 O P2 Pt'
_chemical_formula_sum            'C37 H59 F3 O P2 Pt'
_chemical_formula_weight         833.87
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C37 H59 F3 O1 P2 Pt1'
_chemical_oxdiff_usercomment     "Naser's 2,3,6-trifluoroanisol-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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.72738(15)
_cell_length_b                   26.6352(4)
_cell_length_c                   13.74424(18)
_cell_angle_alpha                90
_cell_angle_beta                 102.3566(14)
_cell_angle_gamma                90
_cell_volume                     3478.51(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19988
_cell_measurement_temperature    110.05(10)
_cell_measurement_theta_max      32.1010
_cell_measurement_theta_min      3.2580
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.171
_exptl_absorpt_correction_T_max  0.559
_exptl_absorpt_correction_T_min  0.314
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.3546
_exptl_crystal_size_mid          0.171
_exptl_crystal_size_min          0.1671
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41481
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         30.046
_diffrn_reflns_theta_min         2.798
_diffrn_ambient_temperature      110.05(10)
_diffrn_detector_area_resol_mean 16.1450
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0439272000
_diffrn_orient_matrix_UB_12      -0.0162412000
_diffrn_orient_matrix_UB_13      -0.0207670000
_diffrn_orient_matrix_UB_21      -0.0076869000
_diffrn_orient_matrix_UB_22      -0.0188514000
_diffrn_orient_matrix_UB_23      0.0348737000
_diffrn_orient_matrix_UB_31      -0.0598786000
_diffrn_orient_matrix_UB_32      -0.0094925000
_diffrn_orient_matrix_UB_33      -0.0337960000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9326
_reflns_number_total             10210
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.01
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_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    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.867
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         10210
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0217
_refine_ls_restrained_S_all      1.071
_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)+(0.0122P)²+2.9793P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0442
_refine_ls_wR_factor_ref         0.0457
_refine_special_details          
;
The trifluorophenoxy moiety was disordered and modelled in two positions which
 differed by a 180 degree rotation about the C-O bond coupled with a slight
 difference in the Pt-O-C angle.  The occupancy of each form refined to 0.678:0.322(3).
 The ADP of carbons of the trifluorophenoxy group which were spatially close were
 constrained to be equal, for example, C3 and C7a.

 One of the cyclopentyl groups was disordered and modelled in two positions.  When refined
 independently, the occupancies of the two forms were very close to those of the phenoxy group
 and were therefore made to be the same as the phenoxy group, i.e. 0.678:0.322(3).
.
;
_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. Uiso/Uaniso restraints and constraints
Uanis(C2A) \\sim Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C3A) = Uanis(C7)
Uanis(F7) = Uanis(F3A)
Uanis(F4) = Uanis(F6A)
Uanis(C25A) = Uanis(C26A)
Uanis(C4A) = Uanis(C6)
Uanis(C7A) = Uanis(C3)
Uanis(C6A) = Uanis(C4)
Uanis(C2) = Uanis(C2A)
3. Others
 Sof(C2A)=Sof(C3A)=Sof(C4A)=Sof(C5A)=Sof(H5A)=Sof(C6A)=Sof(H6A)=Sof(C7A)=
 Sof(H24C)=Sof(H24D)=Sof(C25A)=Sof(H25C)=Sof(H25D)=Sof(C26A)=Sof(H26C)=
 Sof(H26D)=Sof(H27C)=Sof(H27D)=Sof(F3A)=Sof(F6A)=Sof(F7A)=1-FVAR(1)
 Sof(C2)=Sof(C3)=Sof(C4)=Sof(C5)=Sof(H5)=Sof(C6)=Sof(H6)=Sof(C7)=Sof(H24A)=
 Sof(H24B)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H27A)=
 Sof(H27B)=Sof(F3)=Sof(F4)=Sof(F7)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C8(H8), C13(H13), C18(H18), C23(H23), C28(H28), C33(H33)
4.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C19(H19A,H19B), C20(H20A,H20B),
  C21(H21A,H21B), C22(H22A,H22B), C24(H24A,H24B), C24(H24C,H24D), C25(H25A,
 H25B), C25A(H25C,H25D), C26(H26A,H26B), C26A(H26C,H26D), C27(H27C,H27D),
 C27(H27A,H27B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B),
  C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B)
4.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C5A(H5A), C6(H6), C6A(H6A)
4.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.0398(2) 0.42329(8) 0.44491(15) 0.0188(4) Uani 1 1 d . . . . .
H1A H 0.0981 0.4535 0.4473 0.028 Uiso 1 1 calc GR . . . .
H1B H 0.0909 0.3979 0.4901 0.028 Uiso 1 1 calc GR . . . .
H1C H -0.0479 0.4318 0.4653 0.028 Uiso 1 1 calc GR . . . .
C2 C 0.0441(11) 0.3631(4) 0.0994(7) 0.0140(12) Uani 0.678(3) 1 d . U P A 1
C2A C 0.026(3) 0.3573(9) 0.0884(18) 0.0140(12) Uani 0.322(3) 1 d . U P A 2
C3 C 0.0210(6) 0.3275(3) 0.0195(6) 0.0152(12) Uani 0.678(3) 1 d . . P A 1
C3A C 0.150(3) 0.3813(8) 0.099(2) 0.0161(12) Uani 0.322(3) 1 d . . P A 2
C4 C 0.1128(6) 0.3199(2) -0.0431(5) 0.0219(13) Uani 0.678(3) 1 d . . P A 1
C4A C 0.2278(12) 0.3702(4) 0.0230(10) 0.0207(9) Uani 0.322(3) 1 d . . P A 2
C5 C 0.2355(6) 0.3470(2) -0.0346(5) 0.0216(11) Uani 0.678(3) 1 d . . P A 1
H5 H 0.2982 0.3415 -0.0779 0.026 Uiso 0.678(3) 1 calc R . P A 1
C5A C 0.1909(12) 0.3357(5) -0.0467(11) 0.018(2) Uani 0.322(3) 1 d . . P A 2
H5A H 0.2491 0.3289 -0.0926 0.022 Uiso 0.322(3) 1 calc R . P A 2
C6 C 0.2624(5) 0.38244(17) 0.0402(4) 0.0207(9) Uani 0.678(3) 1 d . . P A 1
H6 H 0.3467 0.4015 0.0499 0.025 Uiso 0.678(3) 1 calc R . P A 1
C6A C 0.0689(16) 0.3100(6) -0.0521(12) 0.0219(13) Uani 0.322(3) 1 d . . P A 2
H6A H 0.0406 0.2850 -0.1016 0.026 Uiso 0.322(3) 1 calc R . P A 2
C7 C 0.1708(11) 0.3905(3) 0.0998(10) 0.0161(12) Uani 0.678(3) 1 d . . P A 1
C7A C -0.0136(18) 0.3209(8) 0.0158(16) 0.0152(12) Uani 0.322(3) 1 d . . P A 2
C8 C 0.0255(2) 0.26751(7) 0.27245(14) 0.0129(4) Uani 1 1 d . . . . .
H8 H 0.0431 0.2804 0.2079 0.015 Uiso 1 1 calc R . . . .
C9 C -0.1327(2) 0.25478(8) 0.25182(16) 0.0188(4) Uani 1 1 d . . . . .
H9A H -0.1662 0.2513 0.3146 0.023 Uiso 1 1 calc R . . . .
H9B H -0.1893 0.2808 0.2098 0.023 Uiso 1 1 calc R . . . .
C10 C -0.1393(3) 0.20480(8) 0.19700(17) 0.0238(5) Uani 1 1 d . . . . .
H10A H -0.1325 0.2098 0.1268 0.029 Uiso 1 1 calc R . . . .
H10B H -0.2277 0.1867 0.1985 0.029 Uiso 1 1 calc R . . . .
C11 C -0.0117(2) 0.17617(8) 0.25492(18) 0.0237(5) Uani 1 1 d . . . . .
H11A H 0.0204 0.1509 0.2118 0.028 Uiso 1 1 calc R . . . .
H11B H -0.0351 0.1588 0.3129 0.028 Uiso 1 1 calc R . . . .
C12 C 0.1029(2) 0.21600(7) 0.28938(16) 0.0161(4) Uani 1 1 d . . . . .
H12A H 0.1766 0.2138 0.2498 0.019 Uiso 1 1 calc R . . . .
H12B H 0.1474 0.2114 0.3606 0.019 Uiso 1 1 calc R . . . .
C13 C 0.2722(2) 0.31342(7) 0.39492(14) 0.0124(4) Uani 1 1 d . . . . .
H13 H 0.2972 0.2826 0.4365 0.015 Uiso 1 1 calc R . . . .
C14 C 0.3421(2) 0.30922(9) 0.30349(15) 0.0183(4) Uani 1 1 d . . . . .
H14A H 0.3553 0.2736 0.2872 0.022 Uiso 1 1 calc R . . . .
H14B H 0.2831 0.3257 0.2446 0.022 Uiso 1 1 calc R . . . .
C15 C 0.4853(2) 0.33593(10) 0.33443(19) 0.0268(5) Uani 1 1 d . . . . .
H15A H 0.5625 0.3133 0.3257 0.032 Uiso 1 1 calc R . . . .
H15B H 0.4875 0.3664 0.2937 0.032 Uiso 1 1 calc R . . . .
C16 C 0.5004(2) 0.34978(9) 0.44426(17) 0.0211(4) Uani 1 1 d . . . . .
H16A H 0.5445 0.3222 0.4883 0.025 Uiso 1 1 calc R . . . .
H16B H 0.5573 0.3806 0.4610 0.025 Uiso 1 1 calc R . . . .
C17 C 0.3484(2) 0.35827(8) 0.45318(15) 0.0158(4) Uani 1 1 d . . . . .
H17A H 0.3115 0.3906 0.4227 0.019 Uiso 1 1 calc R . . . .
H17B H 0.3396 0.3577 0.5236 0.019 Uiso 1 1 calc R . . . .
C18 C 0.0300(2) 0.30097(8) 0.48050(14) 0.0146(4) Uani 1 1 d . . . . .
H18 H 0.0926 0.3212 0.5335 0.017 Uiso 1 1 calc R . . . .
C19 C -0.1224(2) 0.31454(9) 0.48782(16) 0.0217(4) Uani 1 1 d . . . . .
H19A H -0.1293 0.3504 0.5051 0.026 Uiso 1 1 calc R . . . .
H19B H -0.1891 0.3078 0.4240 0.026 Uiso 1 1 calc R . . . .
C20 C -0.1541(2) 0.28049(9) 0.57125(18) 0.0239(5) Uani 1 1 d . . . . .
H20A H -0.1704 0.3011 0.6277 0.029 Uiso 1 1 calc R . . . .
H20B H -0.2392 0.2600 0.5460 0.029 Uiso 1 1 calc R . . . .
C21 C -0.0254(2) 0.24656(9) 0.60478(16) 0.0235(5) Uani 1 1 d . . . . .
H21A H -0.0544 0.2122 0.6194 0.028 Uiso 1 1 calc R . . . .
H21B H 0.0379 0.2603 0.6650 0.028 Uiso 1 1 calc R . . . .
C22 C 0.0472(2) 0.24631(8) 0.51615(15) 0.0176(4) Uani 1 1 d . . . . .
H22A H 0.0002 0.2229 0.4636 0.021 Uiso 1 1 calc R . . . .
H22B H 0.1478 0.2370 0.5372 0.021 Uiso 1 1 calc R . . . .
C23 C -0.2314(2) 0.47118(8) 0.12473(15) 0.0181(4) Uani 1 1 d . . . . .
H23 H -0.2868 0.5030 0.1195 0.022 Uiso 1 1 calc R . . . .
C24 C -0.3383(2) 0.42773(11) 0.10902(18) 0.0280(5) Uani 1 1 d . . . . .
H24A H -0.4159 0.4341 0.1437 0.034 Uiso 0.678(3) 1 calc R . P A 1
H24B H -0.2926 0.3954 0.1321 0.034 Uiso 0.678(3) 1 calc R . P A 1
H24C H -0.4321 0.4398 0.1156 0.034 Uiso 0.322(3) 1 calc R . P A 2
H24D H -0.3074 0.4008 0.1586 0.034 Uiso 0.322(3) 1 calc R . P A 2
C25 C -0.3915(5) 0.4284(2) -0.0057(3) 0.0372(11) Uani 0.678(3) 1 d . . P A 1
H25A H -0.4366 0.3961 -0.0299 0.045 Uiso 0.678(3) 1 calc R . P A 1
H25B H -0.4598 0.4559 -0.0264 0.045 Uiso 0.678(3) 1 calc R . P A 1
C25A C -0.3437(10) 0.4081(4) 0.0022(7) 0.0305(17) Uani 0.322(3) 1 d . . P A 2
H25C H -0.2802 0.3790 0.0024 0.037 Uiso 0.322(3) 1 calc R . P A 2
H25D H -0.4405 0.3985 -0.0315 0.037 Uiso 0.322(3) 1 calc R . P A 2
C26 C -0.2587(6) 0.4368(2) -0.0449(4) 0.0366(13) Uani 0.678(3) 1 d . . P A 1
H26A H -0.2810 0.4542 -0.1100 0.044 Uiso 0.678(3) 1 calc R . P A 1
H26B H -0.2129 0.4043 -0.0534 0.044 Uiso 0.678(3) 1 calc R . P A 1
C26A C -0.2925(12) 0.4541(5) -0.0469(9) 0.0305(17) Uani 0.322(3) 1 d . . P A 2
H26C H -0.3642 0.4810 -0.0587 0.037 Uiso 0.322(3) 1 calc R . P A 2
H26D H -0.2663 0.4453 -0.1105 0.037 Uiso 0.322(3) 1 calc R . P A 2
C27 C -0.1618(2) 0.46945(9) 0.03386(15) 0.0225(5) Uani 1 1 d . . . . .
H27C H -0.0861 0.4440 0.0419 0.027 Uiso 0.322(3) 1 calc R . P A 2
H27D H -0.1243 0.5026 0.0198 0.027 Uiso 0.322(3) 1 calc R . P A 2
H27A H -0.0666 0.4545 0.0525 0.027 Uiso 0.678(3) 1 calc R . P A 1
H27B H -0.1534 0.5037 0.0077 0.027 Uiso 0.678(3) 1 calc R . P A 1
C28 C 0.0210(2) 0.51982(8) 0.23082(15) 0.0153(4) Uani 1 1 d . . . . .
H28 H 0.0727 0.5059 0.1814 0.018 Uiso 1 1 calc R . . . .
C29 C 0.1341(2) 0.53117(8) 0.32690(16) 0.0183(4) Uani 1 1 d . . . . .
H29A H 0.0937 0.5284 0.3870 0.022 Uiso 1 1 calc R . . . .
H29B H 0.2148 0.5078 0.3335 0.022 Uiso 1 1 calc R . . . .
C30 C 0.1790(2) 0.58502(8) 0.31207(17) 0.0215(4) Uani 1 1 d . . . . .
H30A H 0.2235 0.6008 0.3764 0.026 Uiso 1 1 calc R . . . .
H30B H 0.2454 0.5863 0.2667 0.026 Uiso 1 1 calc R . . . .
C31 C 0.0405(3) 0.61053(9) 0.26603(19) 0.0291(5) Uani 1 1 d . . . . .
H31A H 0.0569 0.6422 0.2326 0.035 Uiso 1 1 calc R . . . .
H31B H -0.0144 0.6179 0.3172 0.035 Uiso 1 1 calc R . . . .
C32 C -0.0359(2) 0.57207(8) 0.19038(16) 0.0190(4) Uani 1 1 d . . . . .
H32A H -0.0154 0.5782 0.1239 0.023 Uiso 1 1 calc R . . . .
H32B H -0.1389 0.5741 0.1849 0.023 Uiso 1 1 calc R . . . .
C33 C -0.2121(2) 0.49758(7) 0.33359(15) 0.0142(4) Uani 1 1 d . . . . .
H33 H -0.1429 0.5065 0.3961 0.017 Uiso 1 1 calc R . . . .
C34 C -0.3063(2) 0.54456(8) 0.30454(17) 0.0205(4) Uani 1 1 d . . . . .
H34A H -0.2529 0.5758 0.3252 0.025 Uiso 1 1 calc R . . . .
H34B H -0.3450 0.5457 0.2318 0.025 Uiso 1 1 calc R . . . .
C35 C -0.4234(3) 0.53747(9) 0.3618(2) 0.0265(5) Uani 1 1 d . . . . .
H35A H -0.3906 0.5464 0.4329 0.032 Uiso 1 1 calc R . . . .
H35B H -0.5067 0.5581 0.3328 0.032 Uiso 1 1 calc R . . . .
C36 C -0.4567(3) 0.48187(9) 0.3497(2) 0.0290(5) Uani 1 1 d . . . . .
H36A H -0.5150 0.4746 0.2828 0.035 Uiso 1 1 calc R . . . .
H36B H -0.5069 0.4700 0.4008 0.035 Uiso 1 1 calc R . . . .
C37 C -0.3121(2) 0.45730(8) 0.36318(17) 0.0187(4) Uani 1 1 d . . . . .
H37A H -0.3169 0.4274 0.3199 0.022 Uiso 1 1 calc R . . . .
H37B H -0.2779 0.4468 0.4333 0.022 Uiso 1 1 calc R . . . .
F3 F -0.0975(7) 0.2994(3) 0.0077(7) 0.0239(11) Uani 0.678(3) 1 d . . P A 1
F3A F 0.202(2) 0.4197(7) 0.1570(12) 0.0235(8) Uani 0.322(3) 1 d . . P A 2
F4 F 0.0787(3) 0.28454(9) -0.11593(16) 0.0352(5) Uani 0.678(3) 1 d . . P A 1
F6A F 0.3462(6) 0.40010(18) 0.0269(3) 0.0352(5) Uani 0.322(3) 1 d . . P A 2
F7 F 0.2029(10) 0.4255(3) 0.1760(5) 0.0235(8) Uani 0.678(3) 1 d . . P A 1
F7A F -0.1355(15) 0.2953(8) 0.0109(16) 0.030(3) Uani 0.322(3) 1 d . . P A 2
O1 O -0.05084(16) 0.36731(5) 0.15349(10) 0.0159(3) Uani 1 1 d . . . . .
P1 P 0.07963(5) 0.31846(2) 0.36273(4) 0.01080(9) Uani 1 1 d . . . . .
P2 P -0.10834(5) 0.47198(2) 0.24700(4) 0.01169(9) Uani 1 1 d . . . . .
Pt1 Pt -0.00594(2) 0.39550(2) 0.30216(2) 0.01107(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 Pt1 2.0546(19) . ?
C2 C3 1.433(12) . ?
C2 C7 1.430(12) . ?
C2 O1 1.308(12) . ?
C2A C3A 1.35(3) . ?
C2A C7A 1.39(3) . ?
C2A O1 1.31(3) . ?
C3 C4 1.382(10) . ?
C3 F3 1.355(6) . ?
C3A C4A 1.44(3) . ?
C3A F3A 1.33(3) . ?
C4 C5 1.378(6) . ?
C4 F4 1.362(6) . ?
C4A C5A 1.322(17) . ?
C4A F6A 1.392(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.379(8) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.359(13) . ?
C6 H6 0.9500 . ?
C6 C7 1.351(13) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.39(3) . ?
C7 F7 1.387(12) . ?
C7A F7A 1.357(14) . ?
C8 H8 1.0000 . ?
C8 C9 1.542(3) . ?
C8 C12 1.559(3) . ?
C8 P1 1.838(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.524(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.528(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.538(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13 1.0000 . ?
C13 C14 1.556(3) . ?
C13 C17 1.537(3) . ?
C13 P1 1.835(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.540(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.530(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.527(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18 1.0000 . ?
C18 C19 1.550(3) . ?
C18 C22 1.534(3) . ?
C18 P1 1.845(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.544(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.533(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.533(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23 1.0000 . ?
C23 C24 1.540(3) . ?
C23 C27 1.544(3) . ?
C23 P2 1.843(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 H24C 0.9900 . ?
C24 H24D 0.9900 . ?
C24 C25 1.551(5) . ?
C24 C25A 1.549(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.518(8) . ?
C25A H25C 0.9900 . ?
C25A H25D 0.9900 . ?
C25A C26A 1.533(19) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.544(6) . ?
C26A H26C 0.9900 . ?
C26A H26D 0.9900 . ?
C26A C27 1.552(11) . ?
C27 H27C 0.9900 . ?
C27 H27D 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28 1.0000 . ?
C28 C29 1.557(3) . ?
C28 C32 1.556(3) . ?
C28 P2 1.837(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.526(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.520(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.534(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33 1.0000 . ?
C33 C34 1.552(3) . ?
C33 C37 1.560(3) . ?
C33 P2 1.848(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.528(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.518(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.526(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
O1 Pt1 2.1325(13) . ?
P1 Pt1 2.3023(5) . ?
P2 Pt1 2.3222(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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Pt1 C1 H1A 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.5 . . ?
C7 C2 C3 109.5(10) . . ?
O1 C2 C3 118.6(7) . . ?
O1 C2 C7 131.9(8) . . ?
C3A C2A C7A 121(2) . . ?
O1 C2A C3A 117(2) . . ?
O1 C2A C7A 122(2) . . ?
C4 C3 C2 124.0(6) . . ?
F3 C3 C2 116.6(8) . . ?
F3 C3 C4 119.4(7) . . ?
C2A C3A C4A 115(2) . . ?
F3A C3A C2A 130(3) . . ?
F3A C3A C4A 113.5(17) . . ?
C5 C4 C3 122.3(5) . . ?
F4 C4 C3 118.1(4) . . ?
F4 C4 C5 119.6(5) . . ?
C5A C4A C3A 124.3(12) . . ?
C5A C4A F6A 121.3(11) . . ?
F6A C4A C3A 114.4(11) . . ?
C4 C5 H5 121.8 . . ?
C4 C5 C6 116.4(6) . . ?
C6 C5 H5 121.8 . . ?
C4A C5A H5A 120.4 . . ?
C4A C5A C6A 119.2(12) . . ?
C6A C5A H5A 120.4 . . ?
C5 C6 H6 119.5 . . ?
C7 C6 C5 121.1(5) . . ?
C7 C6 H6 119.5 . . ?
C5A C6A H6A 120.6 . . ?
C5A C6A C7A 118.9(13) . . ?
C7A C6A H6A 120.6 . . ?
C6 C7 C2 126.7(9) . . ?
C6 C7 F7 119.6(7) . . ?
F7 C7 C2 113.5(10) . . ?
C6A C7A C2A 121.5(17) . . ?
F7A C7A C2A 119(2) . . ?
F7A C7A C6A 119.1(17) . . ?
C9 C8 H8 105.4 . . ?
C9 C8 C12 105.38(16) . . ?
C9 C8 P1 114.65(14) . . ?
C12 C8 H8 105.4 . . ?
C12 C8 P1 119.32(14) . . ?
P1 C8 H8 105.4 . . ?
C8 C9 H9A 111.2 . . ?
C8 C9 H9B 111.2 . . ?
H9A C9 H9B 109.2 . . ?
C10 C9 C8 102.59(17) . . ?
C10 C9 H9A 111.2 . . ?
C10 C9 H9B 111.2 . . ?
C9 C10 H10A 111.0 . . ?
C9 C10 H10B 111.0 . . ?
C9 C10 C11 103.58(17) . . ?
H10A C10 H10B 109.0 . . ?
C11 C10 H10A 111.0 . . ?
C11 C10 H10B 111.0 . . ?
C10 C11 H11A 110.6 . . ?
C10 C11 H11B 110.6 . . ?
C10 C11 C12 105.71(17) . . ?
H11A C11 H11B 108.7 . . ?
C12 C11 H11A 110.6 . . ?
C12 C11 H11B 110.6 . . ?
C8 C12 H12A 110.7 . . ?
C8 C12 H12B 110.7 . . ?
C11 C12 C8 105.42(17) . . ?
C11 C12 H12A 110.7 . . ?
C11 C12 H12B 110.7 . . ?
H12A C12 H12B 108.8 . . ?
C14 C13 H13 108.0 . . ?
C14 C13 P1 114.24(13) . . ?
C17 C13 H13 108.0 . . ?
C17 C13 C14 103.38(16) . . ?
C17 C13 P1 114.96(14) . . ?
P1 C13 H13 108.0 . . ?
C13 C14 H14A 110.6 . . ?
C13 C14 H14B 110.6 . . ?
H14A C14 H14B 108.7 . . ?
C15 C14 C13 105.63(17) . . ?
C15 C14 H14A 110.6 . . ?
C15 C14 H14B 110.6 . . ?
C14 C15 H15A 110.5 . . ?
C14 C15 H15B 110.5 . . ?
H15A C15 H15B 108.7 . . ?
C16 C15 C14 105.93(18) . . ?
C16 C15 H15A 110.5 . . ?
C16 C15 H15B 110.5 . . ?
C15 C16 H16A 111.2 . . ?
C15 C16 H16B 111.2 . . ?
H16A C16 H16B 109.1 . . ?
C17 C16 C15 102.96(17) . . ?
C17 C16 H16A 111.2 . . ?
C17 C16 H16B 111.2 . . ?
C13 C17 H17A 111.3 . . ?
C13 C17 H17B 111.3 . . ?
C16 C17 C13 102.14(16) . . ?
C16 C17 H17A 111.3 . . ?
C16 C17 H17B 111.3 . . ?
H17A C17 H17B 109.2 . . ?
C19 C18 H18 105.6 . . ?
C19 C18 P1 115.58(14) . . ?
C22 C18 H18 105.6 . . ?
C22 C18 C19 103.98(17) . . ?
C22 C18 P1 119.23(14) . . ?
P1 C18 H18 105.6 . . ?
C18 C19 H19A 110.8 . . ?
C18 C19 H19B 110.8 . . ?
H19A C19 H19B 108.8 . . ?
C20 C19 C18 104.89(18) . . ?
C20 C19 H19A 110.8 . . ?
C20 C19 H19B 110.8 . . ?
C19 C20 H20A 110.4 . . ?
C19 C20 H20B 110.4 . . ?
H20A C20 H20B 108.6 . . ?
C21 C20 C19 106.84(17) . . ?
C21 C20 H20A 110.4 . . ?
C21 C20 H20B 110.4 . . ?
C20 C21 H21A 110.9 . . ?
C20 C21 H21B 110.9 . . ?
C20 C21 C22 104.44(18) . . ?
H21A C21 H21B 108.9 . . ?
C22 C21 H21A 110.9 . . ?
C22 C21 H21B 110.9 . . ?
C18 C22 H22A 111.3 . . ?
C18 C22 H22B 111.3 . . ?
C21 C22 C18 102.24(17) . . ?
C21 C22 H22A 111.3 . . ?
C21 C22 H22B 111.3 . . ?
H22A C22 H22B 109.2 . . ?
C24 C23 H23 106.9 . . ?
C24 C23 C27 105.32(17) . . ?
C24 C23 P2 115.08(16) . . ?
C27 C23 H23 106.9 . . ?
C27 C23 P2 115.24(15) . . ?
P2 C23 H23 106.9 . . ?
C23 C24 H24A 111.4 . . ?
C23 C24 H24B 111.4 . . ?
C23 C24 H24C 110.6 . . ?
C23 C24 H24D 110.6 . . ?
C23 C24 C25 101.7(3) . . ?
C23 C24 C25A 105.8(4) . . ?
H24A C24 H24B 109.3 . . ?
H24C C24 H24D 108.7 . . ?
C25 C24 H24A 111.4 . . ?
C25 C24 H24B 111.4 . . ?
C25A C24 H24C 110.6 . . ?
C25A C24 H24D 110.6 . . ?
C24 C25 H25A 111.0 . . ?
C24 C25 H25B 111.0 . . ?
H25A C25 H25B 109.0 . . ?
C26 C25 C24 103.8(4) . . ?
C26 C25 H25A 111.0 . . ?
C26 C25 H25B 111.0 . . ?
C24 C25A H25C 111.5 . . ?
C24 C25A H25D 111.5 . . ?
H25C C25A H25D 109.3 . . ?
C26A C25A C24 101.5(7) . . ?
C26A C25A H25C 111.5 . . ?
C26A C25A H25D 111.5 . . ?
C25 C26 H26A 110.6 . . ?
C25 C26 H26B 110.6 . . ?
C25 C26 C27 105.8(4) . . ?
H26A C26 H26B 108.7 . . ?
C27 C26 H26A 110.6 . . ?
C27 C26 H26B 110.6 . . ?
C25A C26A H26C 111.6 . . ?
C25A C26A H26D 111.6 . . ?
C25A C26A C27 100.9(9) . . ?
H26C C26A H26D 109.4 . . ?
C27 C26A H26C 111.6 . . ?
C27 C26A H26D 111.6 . . ?
C23 C27 C26 106.1(3) . . ?
C23 C27 C26A 98.8(5) . . ?
C23 C27 H27C 112.0 . . ?
C23 C27 H27D 112.0 . . ?
C23 C27 H27A 110.5 . . ?
C23 C27 H27B 110.5 . . ?
C26 C27 H27A 110.5 . . ?
C26 C27 H27B 110.5 . . ?
C26A C27 H27C 112.0 . . ?
C26A C27 H27D 112.0 . . ?
H27C C27 H27D 109.7 . . ?
H27A C27 H27B 108.7 . . ?
C29 C28 H28 106.4 . . ?
C29 C28 P2 114.20(14) . . ?
C32 C28 H28 106.4 . . ?
C32 C28 C29 105.20(16) . . ?
C32 C28 P2 117.61(15) . . ?
P2 C28 H28 106.4 . . ?
C28 C29 H29A 111.0 . . ?
C28 C29 H29B 111.0 . . ?
H29A C29 H29B 109.0 . . ?
C30 C29 C28 103.86(17) . . ?
C30 C29 H29A 111.0 . . ?
C30 C29 H29B 111.0 . . ?
C29 C30 H30A 111.2 . . ?
C29 C30 H30B 111.2 . . ?
H30A C30 H30B 109.1 . . ?
C31 C30 C29 102.85(18) . . ?
C31 C30 H30A 111.2 . . ?
C31 C30 H30B 111.2 . . ?
C30 C31 H31A 111.0 . . ?
C30 C31 H31B 111.0 . . ?
C30 C31 C32 103.97(18) . . ?
H31A C31 H31B 109.0 . . ?
C32 C31 H31A 111.0 . . ?
C32 C31 H31B 111.0 . . ?
C28 C32 H32A 110.6 . . ?
C28 C32 H32B 110.6 . . ?
C31 C32 C28 105.76(17) . . ?
C31 C32 H32A 110.6 . . ?
C31 C32 H32B 110.6 . . ?
H32A C32 H32B 108.7 . . ?
C34 C33 H33 106.3 . . ?
C34 C33 C37 104.75(16) . . ?
C34 C33 P2 120.38(15) . . ?
C37 C33 H33 106.3 . . ?
C37 C33 P2 111.80(14) . . ?
P2 C33 H33 106.3 . . ?
C33 C34 H34A 111.1 . . ?
C33 C34 H34B 111.1 . . ?
H34A C34 H34B 109.0 . . ?
C35 C34 C33 103.41(18) . . ?
C35 C34 H34A 111.1 . . ?
C35 C34 H34B 111.1 . . ?
C34 C35 H35A 111.1 . . ?
C34 C35 H35B 111.1 . . ?
H35A C35 H35B 109.1 . . ?
C36 C35 C34 103.25(18) . . ?
C36 C35 H35A 111.1 . . ?
C36 C35 H35B 111.1 . . ?
C35 C36 H36A 111.0 . . ?
C35 C36 H36B 111.0 . . ?
C35 C36 C37 103.62(19) . . ?
H36A C36 H36B 109.0 . . ?
C37 C36 H36A 111.0 . . ?
C37 C36 H36B 111.0 . . ?
C33 C37 H37A 110.4 . . ?
C33 C37 H37B 110.4 . . ?
C36 C37 C33 106.46(17) . . ?
C36 C37 H37A 110.4 . . ?
C36 C37 H37B 110.4 . . ?
H37A C37 H37B 108.6 . . ?
C2 O1 Pt1 123.3(3) . . ?
C2A O1 Pt1 134.2(9) . . ?
C8 P1 C18 108.36(9) . . ?
C8 P1 Pt1 112.63(6) . . ?
C13 P1 C8 103.82(9) . . ?
C13 P1 C18 102.44(9) . . ?
C13 P1 Pt1 115.07(7) . . ?
C18 P1 Pt1 113.57(7) . . ?
C23 P2 C33 104.71(10) . . ?
C23 P2 Pt1 115.92(7) . . ?
C28 P2 C23 103.04(10) . . ?
C28 P2 C33 107.73(9) . . ?
C28 P2 Pt1 113.01(7) . . ?
C33 P2 Pt1 111.64(7) . . ?
C1 Pt1 O1 179.14(8) . . ?
C1 Pt1 P1 89.32(6) . . ?
C1 Pt1 P2 89.19(6) . . ?
O1 Pt1 P1 90.95(4) . . ?
O1 Pt1 P2 90.60(4) . . ?
P1 Pt1 P2 175.207(18) . . ?

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
C2 C3 C4 C5 -0.9(12) . . . . ?
C2 C3 C4 F4 179.6(7) . . . . ?
C2A C3A C4A C5A -7(3) . . . . ?
C2A C3A C4A F6A 171.8(18) . . . . ?
C3 C2 C7 C6 -4.6(15) . . . . ?
C3 C2 C7 F7 -179.1(9) . . . . ?
C3 C2 O1 C2A -8(7) . . . . ?
C3 C2 O1 Pt1 156.2(6) . . . . ?
C3 C4 C5 C6 -0.1(9) . . . . ?
C3A C2A C7A C6A -4(4) . . . . ?
C3A C2A C7A F7A 176(2) . . . . ?
C3A C2A O1 C2 -4(6) . . . . ?
C3A C2A O1 Pt1 -23(3) . . . . ?
C3A C4A C5A C6A 3(2) . . . . ?
C4 C5 C6 C7 -1.3(10) . . . . ?
C4A C5A C6A C7A 0(2) . . . . ?
C5 C6 C7 C2 4.1(15) . . . . ?
C5 C6 C7 F7 178.3(8) . . . . ?
C5A C6A C7A C2A 0(3) . . . . ?
C5A C6A C7A F7A -179.9(18) . . . . ?
C7 C2 C3 C4 2.9(13) . . . . ?
C7 C2 C3 F3 -178.4(9) . . . . ?
C7 C2 O1 C2A 168(9) . . . . ?
C7 C2 O1 Pt1 -28.1(14) . . . . ?
C7A C2A C3A C4A 7(4) . . . . ?
C7A C2A C3A F3A 174(3) . . . . ?
C7A C2A O1 C2 171(10) . . . . ?
C7A C2A O1 Pt1 152.1(14) . . . . ?
C8 C9 C10 C11 42.0(2) . . . . ?
C9 C8 C12 C11 12.3(2) . . . . ?
C9 C8 P1 C13 165.84(14) . . . . ?
C9 C8 P1 C18 57.46(17) . . . . ?
C9 C8 P1 Pt1 -69.03(15) . . . . ?
C9 C10 C11 C12 -34.7(2) . . . . ?
C10 C11 C12 C8 13.5(2) . . . . ?
C12 C8 C9 C10 -33.5(2) . . . . ?
C12 C8 P1 C13 39.52(17) . . . . ?
C12 C8 P1 C18 -68.87(17) . . . . ?
C12 C8 P1 Pt1 164.64(13) . . . . ?
C13 C14 C15 C16 5.6(2) . . . . ?
C14 C13 C17 C16 -40.57(19) . . . . ?
C14 C13 P1 C8 48.66(16) . . . . ?
C14 C13 P1 C18 161.39(15) . . . . ?
C14 C13 P1 Pt1 -74.89(15) . . . . ?
C14 C15 C16 C17 -30.8(2) . . . . ?
C15 C16 C17 C13 44.3(2) . . . . ?
C17 C13 C14 C15 21.5(2) . . . . ?
C17 C13 P1 C8 167.96(14) . . . . ?
C17 C13 P1 C18 -79.31(15) . . . . ?
C17 C13 P1 Pt1 44.42(15) . . . . ?
C18 C19 C20 C21 -3.4(2) . . . . ?
C19 C18 C22 C21 -41.2(2) . . . . ?
C19 C18 P1 C8 -85.99(17) . . . . ?
C19 C18 P1 C13 164.68(16) . . . . ?
C19 C18 P1 Pt1 39.95(17) . . . . ?
C19 C20 C21 C22 -22.1(2) . . . . ?
C20 C21 C22 C18 39.0(2) . . . . ?
C22 C18 C19 C20 27.6(2) . . . . ?
C22 C18 P1 C8 39.09(18) . . . . ?
C22 C18 P1 C13 -70.24(17) . . . . ?
C22 C18 P1 Pt1 165.03(13) . . . . ?
C23 C24 C25 C26 41.8(5) . . . . ?
C23 C24 C25A C26A -23.2(7) . . . . ?
C24 C23 C27 C26 16.6(3) . . . . ?
C24 C23 C27 C26A 36.8(5) . . . . ?
C24 C23 P2 C28 169.64(16) . . . . ?
C24 C23 P2 C33 -77.78(18) . . . . ?
C24 C23 P2 Pt1 45.68(18) . . . . ?
C24 C25 C26 C27 -32.0(5) . . . . ?
C24 C25A C26A C27 46.7(8) . . . . ?
C25 C24 C25A C26A 61.2(10) . . . . ?
C25 C26 C27 C23 9.6(5) . . . . ?
C25 C26 C27 C26A -62.4(17) . . . . ?
C25A C24 C25 C26 -60.2(9) . . . . ?
C25A C26A C27 C23 -51.7(7) . . . . ?
C25A C26A C27 C26 60.6(17) . . . . ?
C27 C23 C24 C25 -35.7(3) . . . . ?
C27 C23 C24 C25A -8.9(5) . . . . ?
C27 C23 P2 C28 46.75(18) . . . . ?
C27 C23 P2 C33 159.33(16) . . . . ?
C27 C23 P2 Pt1 -77.21(17) . . . . ?
C28 C29 C30 C31 40.3(2) . . . . ?
C29 C28 C32 C31 -2.5(2) . . . . ?
C29 C28 P2 C23 175.98(15) . . . . ?
C29 C28 P2 C33 65.63(17) . . . . ?
C29 C28 P2 Pt1 -58.17(16) . . . . ?
C29 C30 C31 C32 -42.1(2) . . . . ?
C30 C31 C32 C28 27.3(2) . . . . ?
C32 C28 C29 C30 -23.1(2) . . . . ?
C32 C28 P2 C23 51.96(17) . . . . ?
C32 C28 P2 C33 -58.38(17) . . . . ?
C32 C28 P2 Pt1 177.82(13) . . . . ?
C33 C34 C35 C36 -41.3(2) . . . . ?
C34 C33 C37 C36 0.4(2) . . . . ?
C34 C33 P2 C23 -45.37(19) . . . . ?
C34 C33 P2 C28 63.82(18) . . . . ?
C34 C33 P2 Pt1 -171.54(14) . . . . ?
C34 C35 C36 C37 41.6(3) . . . . ?
C35 C36 C37 C33 -25.7(2) . . . . ?
C37 C33 C34 C35 24.9(2) . . . . ?
C37 C33 P2 C23 78.16(16) . . . . ?
C37 C33 P2 C28 -172.64(14) . . . . ?
C37 C33 P2 Pt1 -48.01(15) . . . . ?
F3 C3 C4 C5 -179.6(7) . . . . ?
F3 C3 C4 F4 1.0(11) . . . . ?
F3A C3A C4A C5A -175.9(19) . . . . ?
F3A C3A C4A F6A 3(3) . . . . ?
F4 C4 C5 C6 179.4(5) . . . . ?
F6A C4A C5A C6A -175.1(12) . . . . ?
O1 C2 C3 C4 179.5(7) . . . . ?
O1 C2 C3 F3 -1.8(13) . . . . ?
O1 C2 C7 C6 179.5(9) . . . . ?
O1 C2 C7 F7 4.9(17) . . . . ?
O1 C2A C3A C4A -177.9(18) . . . . ?
O1 C2A C3A F3A -11(4) . . . . ?
O1 C2A C7A C6A -179.1(18) . . . . ?
O1 C2A C7A F7A 1(3) . . . . ?
P1 C8 C9 C10 -166.70(14) . . . . ?
P1 C8 C12 C11 142.94(16) . . . . ?
P1 C13 C14 C15 147.19(16) . . . . ?
P1 C13 C17 C16 -165.75(14) . . . . ?
P1 C18 C19 C20 160.19(15) . . . . ?
P1 C18 C22 C21 -171.68(14) . . . . ?
P2 C23 C24 C25 -163.7(2) . . . . ?
P2 C23 C24 C25A -136.9(4) . . . . ?
P2 C23 C27 C26 144.6(3) . . . . ?
P2 C23 C27 C26A 164.8(5) . . . . ?
P2 C28 C29 C30 -153.56(15) . . . . ?
P2 C28 C32 C31 125.92(18) . . . . ?
P2 C33 C34 C35 151.69(16) . . . . ?
P2 C33 C37 C36 -131.57(17) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 -3 1 0.0855 0.0001 -3.0004 0.9988 0.0280 0.0914 -0.0053
0 3 -1 0.0855 -0.0001 3.0004 -0.9988 -0.0280 -0.0914 0.0053
0 -3 -2 0.0776 0.0012 -3.0027 -1.9982 0.0903 -0.0131 0.0960
0 3 2 0.0896 -0.0012 3.0027 1.9982 -0.0903 0.0131 -0.0960
2 -1 0 0.1410 2.0008 -1.0018 -0.0000 0.1042 0.0035 -0.1103
-2 1 0 0.1410 -2.0008 1.0018 0.0000 -0.1042 -0.0035 0.1103
_database_code_depnum_ccdc_archive 'CCDC 983215'

###END
data_rnp1341
_audit_creation_date             2013-11-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_publ_contact_author_address     ?
_publ_contact_author_email       ?
_publ_contact_author_phone       ?
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C37 H58 F4 O P2 Pt'
_chemical_formula_sum            'C37 H58 F4 O P2 Pt'
_chemical_formula_weight         851.86
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C37 H58 F4 O1 P2 Pt1'
_chemical_oxdiff_usercomment     'Naser 2,3,5,6-Ptanisol'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.28091(16)
_cell_length_b                   24.3536(4)
_cell_length_c                   14.17425(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.1202(14)
_cell_angle_gamma                90.00
_cell_volume                     3482.28(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16477
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      32.1600
_cell_measurement_theta_min      3.2010
_exptl_absorpt_coefficient_mu    4.172
_exptl_absorpt_correction_T_max  0.773
_exptl_absorpt_correction_T_min  0.564
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.2006
_exptl_crystal_size_mid          0.0956
_exptl_crystal_size_min          0.0659
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30583
_diffrn_reflns_theta_full        30.05
_diffrn_reflns_theta_max         30.05
_diffrn_reflns_theta_min         2.80
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 16.1450
_diffrn_measured_fraction_theta_full 0.9977
_diffrn_measured_fraction_theta_max 0.9977
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0167350000
_diffrn_orient_matrix_UB_12      0.0259634000
_diffrn_orient_matrix_UB_13      0.0169760000
_diffrn_orient_matrix_UB_21      -0.0006494000
_diffrn_orient_matrix_UB_22      0.0114797000
_diffrn_orient_matrix_UB_23      ?
_diffrn_orient_matrix_UB_31      -0.0682778000
_diffrn_orient_matrix_UB_32      -0.0064833000
_diffrn_orient_matrix_UB_33      -0.0138885000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_special_details          ?
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                9191
_reflns_number_total             10221
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.01
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SUPERFLIP, J. Appl. Cryst. (2007) 40, 786-790'
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         10221
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0221
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0098P)²+2.9204P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0418
_refine_ls_wR_factor_ref         0.0432
_refine_special_details          
;
 One of the cyclopentyl groups waas disordered and modelled with a carbon
 (C20) in two positions with refined occupancies of 0.838:0.162(9).
;
_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. Others
 Sof(H19C)=Sof(H19D)=Sof(C20B)=Sof(H20C)=Sof(H20D)=Sof(H21C)=Sof(H21D)=1-FVAR(1)
 Sof(H19A)=Sof(H19B)=Sof(C20A)=Sof(H20A)=Sof(H20B)=Sof(H21A)=Sof(H21B)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C8(H8), C13(H13), C18(H18), C23(H23), C28(H28), C33(H33)
3.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C19(H19A,H19B), C19(H19C,H19D),
  C20A(H20A,H20B), C20B(H20C,H20D), C21(H21A,H21B), C21(H21C,H21D), C22(H22A,
 H22B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B),
 C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C34(H34A,H34B),
  C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B)
3.c Aromatic/amide H refined with riding coordinates:
 C5(H5)
3.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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
C1 C 0.0358(2) 0.58193(9) 0.94721(14) 0.0175(4) Uani 1 1 d . . .
H1A H 0.1101 0.6002 0.9859 0.026 Uiso 1 1 calc R . .
H1B H 0.0523 0.5431 0.9475 0.026 Uiso 1 1 calc R . .
H1C H -0.0424 0.5889 0.9730 0.026 Uiso 1 1 calc R . .
C2 C 0.0783(2) 0.63282(9) 0.60923(14) 0.0154(4) Uani 1 1 d . . .
C3 C 0.0513(2) 0.65346(9) 0.51420(15) 0.0179(4) Uani 1 1 d . . .
C4 C 0.1353(2) 0.64654(10) 0.45103(15) 0.0224(5) Uani 1 1 d . . .
C5 C 0.2531(2) 0.61793(10) 0.47488(16) 0.0246(5) Uani 1 1 d . . .
H5 H 0.3095 0.6130 0.4315 0.030 Uiso 1 1 calc R . .
C6 C 0.2817(2) 0.59720(10) 0.56681(17) 0.0222(5) Uani 1 1 d . . .
C7 C 0.2003(2) 0.60493(9) 0.63219(15) 0.0188(4) Uani 1 1 d . . .
C8 C -0.2622(2) 0.55470(9) 0.65699(15) 0.0170(4) Uani 1 1 d . A .
H8 H -0.3354 0.5291 0.6586 0.020 Uiso 1 1 calc R . .
C9 C -0.3182(2) 0.61360(9) 0.66271(16) 0.0198(4) Uani 1 1 d . . .
H9A H -0.3961 0.6130 0.6919 0.024 Uiso 1 1 calc R . .
H9B H -0.2522 0.6373 0.7005 0.024 Uiso 1 1 calc R . .
C10 C -0.3539(2) 0.63389(10) 0.55796(17) 0.0250(5) Uani 1 1 d . . .
H10A H -0.4435 0.6483 0.5442 0.030 Uiso 1 1 calc R . .
H10B H -0.2933 0.6626 0.5465 0.030 Uiso 1 1 calc R . .
C11 C -0.3421(2) 0.58427(11) 0.49570(16) 0.0255(5) Uani 1 1 d . . .
H11A H -0.3200 0.5951 0.4349 0.031 Uiso 1 1 calc R . .
H11B H -0.4240 0.5634 0.4833 0.031 Uiso 1 1 calc R . .
C12 C -0.2294(2) 0.55094(10) 0.55631(15) 0.0210(4) Uani 1 1 d . . .
H12A H -0.2302 0.5132 0.5345 0.025 Uiso 1 1 calc R . .
H12B H -0.1436 0.5671 0.5546 0.025 Uiso 1 1 calc R . .
C13 C -0.2198(2) 0.51348(8) 0.85141(15) 0.0160(4) Uani 1 1 d . A .
H13 H -0.1531 0.5030 0.9077 0.019 Uiso 1 1 calc R . .
C14 C -0.3119(2) 0.46319(9) 0.82505(16) 0.0199(4) Uani 1 1 d . . .
H14A H -0.3418 0.4605 0.7560 0.024 Uiso 1 1 calc R . .
H14B H -0.2668 0.4295 0.8485 0.024 Uiso 1 1 calc R . .
C15 C -0.4280(3) 0.47437(10) 0.8751(2) 0.0300(6) Uani 1 1 d . . .
H15A H -0.5067 0.4547 0.8441 0.036 Uiso 1 1 calc R . .
H15B H -0.4065 0.4639 0.9423 0.036 Uiso 1 1 calc R . .
C16 C -0.4475(2) 0.53593(10) 0.8642(2) 0.0297(6) Uani 1 1 d . . .
H16A H -0.4990 0.5499 0.9096 0.036 Uiso 1 1 calc R . .
H16B H -0.4922 0.5453 0.7995 0.036 Uiso 1 1 calc R . .
C17 C -0.3072(2) 0.55877(9) 0.88538(16) 0.0198(4) Uani 1 1 d . . .
H17A H -0.2788 0.5659 0.9536 0.024 Uiso 1 1 calc R . .
H17B H -0.3021 0.5927 0.8504 0.024 Uiso 1 1 calc R . .
C18 C -0.0585(2) 0.47202(9) 0.72311(15) 0.0173(4) Uani 1 1 d . A .
H18 H -0.1317 0.4479 0.6944 0.021 Uiso 1 1 calc R . .
C19 C 0.0274(2) 0.44168(10) 0.80940(16) 0.0258(5) Uani 1 1 d . . .
H19A H 0.0089 0.4552 0.8698 0.031 Uiso 0.838(9) 1 calc PR A 1
H19B H 0.0108 0.4025 0.8054 0.031 Uiso 0.838(9) 1 calc PR A 1
H19C H 0.0565 0.4671 0.8620 0.031 Uiso 0.162(9) 1 calc PR A 2
H19D H -0.0235 0.4126 0.8319 0.031 Uiso 0.162(9) 1 calc PR A 2
C20A C 0.1675(3) 0.45425(16) 0.8009(2) 0.0291(10) Uani 0.838(9) 1 d P A 1
H20A H 0.2285 0.4272 0.8349 0.035 Uiso 0.838(9) 1 calc PR A 1
H20B H 0.1938 0.4905 0.8260 0.035 Uiso 0.838(9) 1 calc PR A 1
C20B C 0.1473(16) 0.4176(8) 0.7739(12) 0.028(5) Uani 0.162(9) 1 d P A 2
H20C H 0.2259 0.4190 0.8242 0.034 Uiso 0.162(9) 1 calc PR A 2
H20D H 0.1308 0.3797 0.7538 0.034 Uiso 0.162(9) 1 calc PR A 2
C21 C 0.1633(3) 0.45155(12) 0.6937(2) 0.0365(6) Uani 1 1 d . . .
H21A H 0.1636 0.4138 0.6720 0.044 Uiso 0.838(9) 1 calc PR A 1
H21B H 0.2384 0.4706 0.6767 0.044 Uiso 0.838(9) 1 calc PR A 1
H21C H 0.1925 0.4291 0.6452 0.044 Uiso 0.162(9) 1 calc PR A 2
H21D H 0.2308 0.4790 0.7151 0.044 Uiso 0.162(9) 1 calc PR A 2
C22 C 0.0334(2) 0.47995(10) 0.64966(16) 0.0234(5) Uani 1 1 d . A .
H22A H -0.0052 0.4634 0.5884 0.028 Uiso 1 1 calc R . .
H22B H 0.0481 0.5187 0.6396 0.028 Uiso 1 1 calc R . .
C23 C 0.0611(2) 0.74674(8) 0.76657(14) 0.0151(4) Uani 1 1 d . A .
H23 H 0.1002 0.7331 0.7132 0.018 Uiso 1 1 calc R . .
C24 C -0.0896(2) 0.75554(9) 0.72775(15) 0.0188(4) Uani 1 1 d . . .
H24A H -0.1101 0.7522 0.6583 0.023 Uiso 1 1 calc R . .
H24B H -0.1416 0.7288 0.7552 0.023 Uiso 1 1 calc R . .
C25 C -0.1181(2) 0.81372(10) 0.75891(17) 0.0248(5) Uani 1 1 d . . .
H25A H -0.1943 0.8293 0.7162 0.030 Uiso 1 1 calc R . .
H25B H -0.1342 0.8140 0.8241 0.030 Uiso 1 1 calc R . .
C26 C 0.0078(2) 0.84503(9) 0.75227(17) 0.0255(5) Uani 1 1 d . . .
H26A H 0.0147 0.8785 0.7901 0.031 Uiso 1 1 calc R . .
H26B H 0.0103 0.8544 0.6861 0.031 Uiso 1 1 calc R . .
C27 C 0.1188(2) 0.80482(9) 0.79307(16) 0.0198(4) Uani 1 1 d . . .
H27A H 0.1440 0.8088 0.8623 0.024 Uiso 1 1 calc R . .
H27B H 0.1962 0.8112 0.7648 0.024 Uiso 1 1 calc R . .
C28 C 0.01501(19) 0.72547(9) 0.95842(14) 0.0144(4) Uani 1 1 d . A .
H28 H 0.0200 0.7654 0.9511 0.017 Uiso 1 1 calc R . .
C29 C -0.1337(2) 0.71164(10) 0.95216(16) 0.0198(4) Uani 1 1 d . . .
H29A H -0.1892 0.7398 0.9165 0.024 Uiso 1 1 calc R . .
H29B H -0.1551 0.6767 0.9202 0.024 Uiso 1 1 calc R . .
C30 C -0.1552(2) 0.70905(13) 1.05578(18) 0.0345(6) Uani 1 1 d . . .
H30A H -0.2293 0.7321 1.0637 0.041 Uiso 1 1 calc R . .
H30B H -0.1735 0.6716 1.0728 0.041 Uiso 1 1 calc R . .
C31 C -0.0274(2) 0.72966(11) 1.11900(16) 0.0248(5) Uani 1 1 d . . .
H31A H -0.0293 0.7692 1.1269 0.030 Uiso 1 1 calc R . .
H31B H -0.0129 0.7124 1.1819 0.030 Uiso 1 1 calc R . .
C32 C 0.0792(2) 0.71276(10) 1.06341(14) 0.0189(4) Uani 1 1 d . . .
H32A H 0.1000 0.6740 1.0720 0.023 Uiso 1 1 calc R . .
H32B H 0.1596 0.7340 1.0836 0.023 Uiso 1 1 calc R . .
C33 C 0.27260(19) 0.70340(9) 0.90904(14) 0.0141(4) Uani 1 1 d . A .
H33 H 0.2859 0.7377 0.9459 0.017 Uiso 1 1 calc R . .
C34 C 0.34240(19) 0.65727(9) 0.97309(15) 0.0169(4) Uani 1 1 d . . .
H34A H 0.3208 0.6585 1.0367 0.020 Uiso 1 1 calc R . .
H34B H 0.3189 0.6215 0.9448 0.020 Uiso 1 1 calc R . .
C35 C 0.4886(2) 0.67017(10) 0.97661(17) 0.0229(5) Uani 1 1 d . . .
H35A H 0.5431 0.6379 0.9943 0.028 Uiso 1 1 calc R . .
H35B H 0.5187 0.6992 1.0224 0.028 Uiso 1 1 calc R . .
C36 C 0.4938(2) 0.68847(11) 0.87411(19) 0.0312(6) Uani 1 1 d . . .
H36A H 0.5560 0.7185 0.8752 0.037 Uiso 1 1 calc R . .
H36B H 0.5216 0.6583 0.8380 0.037 Uiso 1 1 calc R . .
C37 C 0.3540(2) 0.70693(10) 0.82848(16) 0.0216(5) Uani 1 1 d . . .
H37A H 0.3167 0.6831 0.7753 0.026 Uiso 1 1 calc R . .
H37B H 0.3549 0.7443 0.8048 0.026 Uiso 1 1 calc R . .
F3 F -0.06380(14) 0.68080(6) 0.48482(9) 0.0267(3) Uani 1 1 d . . .
F4 F 0.09929(15) 0.66749(7) 0.36133(9) 0.0339(3) Uani 1 1 d . . .
F6 F 0.39315(13) 0.56675(7) 0.59486(10) 0.0326(3) Uani 1 1 d . . .
F7 F 0.24016(13) 0.58286(6) 0.72102(9) 0.0262(3) Uani 1 1 d . . .
O1 O -0.00769(14) 0.63926(6) 0.66401(10) 0.0156(3) Uani 1 1 d . . .
P1 P -0.12870(5) 0.53678(2) 0.75863(4) 0.01278(10) Uani 1 1 d . . .
P2 P 0.09349(5) 0.69518(2) 0.86359(4) 0.01141(9) Uani 1 1 d . . .
Pt1 Pt 0.008477(7) 0.610899(3) 0.808842(5) 0.01108(2) Uani 1 1 d . A .


_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 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 Pt1 2.0520(19) . ?
C2 C3 1.414(3) . ?
C2 C7 1.408(3) . ?
C2 O1 1.294(2) . ?
C3 C4 1.369(3) . ?
C3 F3 1.352(2) . ?
C4 C5 1.382(3) . ?
C4 F4 1.354(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.375(3) . ?
C6 C7 1.376(3) . ?
C6 F6 1.358(3) . ?
C7 F7 1.358(2) . ?
C8 H8 0.9800 . ?
C8 C9 1.553(3) . ?
C8 C12 1.531(3) . ?
C8 P1 1.841(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.541(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.515(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.535(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13 0.9800 . ?
C13 C14 1.549(3) . ?
C13 C17 1.557(3) . ?
C13 P1 1.845(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.526(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.517(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.521(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18 0.9800 . ?
C18 C19 1.550(3) . ?
C18 C22 1.547(3) . ?
C18 P1 1.845(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C19 H19D 0.9700 . ?
C19 C20A 1.501(4) . ?
C19 C20B 1.535(15) . ?
C20A H20A 0.9700 . ?
C20A H20B 0.9700 . ?
C20A C21 1.514(4) . ?
C20B H20C 0.9700 . ?
C20B H20D 0.9700 . ?
C20B C21 1.441(16) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C21 H21D 0.9700 . ?
C21 C22 1.526(3) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23 0.9800 . ?
C23 C24 1.556(3) . ?
C23 C27 1.552(3) . ?
C23 P2 1.845(2) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.529(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.521(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.530(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28 0.9800 . ?
C28 C29 1.551(3) . ?
C28 C32 1.539(3) . ?
C28 P2 1.849(2) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.528(3) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.525(3) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.525(3) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 H33 0.9800 . ?
C33 C34 1.533(3) . ?
C33 C37 1.543(3) . ?
C33 P2 1.841(2) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.527(3) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.530(3) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C37 1.525(3) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
O1 Pt1 2.1419(14) . ?
P1 Pt1 2.3166(5) . ?
P2 Pt1 2.3059(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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Pt1 C1 H1A 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.5 . . ?
C7 C2 C3 113.21(19) . . ?
O1 C2 C3 119.82(19) . . ?
O1 C2 C7 126.94(19) . . ?
C4 C3 C2 123.1(2) . . ?
F3 C3 C2 117.90(18) . . ?
F3 C3 C4 118.97(19) . . ?
C3 C4 C5 122.4(2) . . ?
F4 C4 C3 118.4(2) . . ?
F4 C4 C5 119.2(2) . . ?
C4 C5 H5 122.1 . . ?
C6 C5 C4 115.7(2) . . ?
C6 C5 H5 122.1 . . ?
C5 C6 C7 122.8(2) . . ?
F6 C6 C5 119.5(2) . . ?
F6 C6 C7 117.8(2) . . ?
C6 C7 C2 122.7(2) . . ?
F7 C7 C2 120.09(18) . . ?
F7 C7 C6 117.2(2) . . ?
C9 C8 H8 107.0 . . ?
C9 C8 P1 113.94(14) . . ?
C12 C8 H8 107.0 . . ?
C12 C8 C9 104.73(17) . . ?
C12 C8 P1 116.74(15) . . ?
P1 C8 H8 107.0 . . ?
C8 C9 H9A 110.6 . . ?
C8 C9 H9B 110.6 . . ?
H9A C9 H9B 108.8 . . ?
C10 C9 C8 105.53(18) . . ?
C10 C9 H9A 110.6 . . ?
C10 C9 H9B 110.6 . . ?
C9 C10 H10A 110.5 . . ?
C9 C10 H10B 110.5 . . ?
H10A C10 H10B 108.7 . . ?
C11 C10 C9 105.93(19) . . ?
C11 C10 H10A 110.5 . . ?
C11 C10 H10B 110.5 . . ?
C10 C11 H11A 111.1 . . ?
C10 C11 H11B 111.1 . . ?
C10 C11 C12 103.43(18) . . ?
H11A C11 H11B 109.0 . . ?
C12 C11 H11A 111.1 . . ?
C12 C11 H11B 111.1 . . ?
C8 C12 C11 102.20(18) . . ?
C8 C12 H12A 111.3 . . ?
C8 C12 H12B 111.3 . . ?
C11 C12 H12A 111.3 . . ?
C11 C12 H12B 111.3 . . ?
H12A C12 H12B 109.2 . . ?
C14 C13 H13 106.8 . . ?
C14 C13 C17 105.79(17) . . ?
C14 C13 P1 116.23(14) . . ?
C17 C13 H13 106.8 . . ?
C17 C13 P1 113.91(14) . . ?
P1 C13 H13 106.8 . . ?
C13 C14 H14A 110.9 . . ?
C13 C14 H14B 110.9 . . ?
H14A C14 H14B 109.0 . . ?
C15 C14 C13 104.08(18) . . ?
C15 C14 H14A 110.9 . . ?
C15 C14 H14B 110.9 . . ?
C14 C15 H15A 111.1 . . ?
C14 C15 H15B 111.1 . . ?
H15A C15 H15B 109.1 . . ?
C16 C15 C14 103.28(18) . . ?
C16 C15 H15A 111.1 . . ?
C16 C15 H15B 111.1 . . ?
C15 C16 H16A 111.0 . . ?
C15 C16 H16B 111.0 . . ?
C15 C16 C17 103.8(2) . . ?
H16A C16 H16B 109.0 . . ?
C17 C16 H16A 111.0 . . ?
C17 C16 H16B 111.0 . . ?
C13 C17 H17A 110.7 . . ?
C13 C17 H17B 110.7 . . ?
C16 C17 C13 105.21(18) . . ?
C16 C17 H17A 110.7 . . ?
C16 C17 H17B 110.7 . . ?
H17A C17 H17B 108.8 . . ?
C19 C18 H18 108.4 . . ?
C19 C18 P1 112.66(15) . . ?
C22 C18 H18 108.4 . . ?
C22 C18 C19 105.19(18) . . ?
C22 C18 P1 113.51(15) . . ?
P1 C18 H18 108.4 . . ?
C18 C19 H19A 110.9 . . ?
C18 C19 H19B 110.9 . . ?
C18 C19 H19C 110.3 . . ?
C18 C19 H19D 110.3 . . ?
H19A C19 H19B 108.9 . . ?
H19A C19 H19C 35.9 . . ?
H19A C19 H19D 75.3 . . ?
H19B C19 H19C 134.2 . . ?
H19B C19 H19D 37.0 . . ?
H19C C19 H19D 108.5 . . ?
C20A C19 C18 104.4(2) . . ?
C20A C19 H19A 110.9 . . ?
C20A C19 H19B 110.9 . . ?
C20A C19 H19C 76.9 . . ?
C20A C19 H19D 139.7 . . ?
C20A C19 C20B 37.6(7) . . ?
C20B C19 C18 107.1(6) . . ?
C20B C19 H19A 136.5 . . ?
C20B C19 H19B 75.3 . . ?
C20B C19 H19C 110.3 . . ?
C20B C19 H19D 110.3 . . ?
C19 C20A H20A 111.1 . . ?
C19 C20A H20B 111.1 . . ?
C19 C20A C21 103.3(2) . . ?
H20A C20A H20B 109.1 . . ?
C21 C20A H20A 111.1 . . ?
C21 C20A H20B 111.1 . . ?
C19 C20B H20C 110.7 . . ?
C19 C20B H20D 110.7 . . ?
H20C C20B H20D 108.8 . . ?
C21 C20B C19 105.1(9) . . ?
C21 C20B H20C 110.7 . . ?
C21 C20B H20D 110.7 . . ?
C20A C21 H21A 110.9 . . ?
C20A C21 H21B 110.9 . . ?
C20A C21 H21C 141.5 . . ?
C20A C21 H21D 77.0 . . ?
C20A C21 C22 104.1(2) . . ?
C20B C21 C20A 38.6(7) . . ?
C20B C21 H21A 73.3 . . ?
C20B C21 H21B 133.4 . . ?
C20B C21 H21C 109.4 . . ?
C20B C21 H21D 109.4 . . ?
C20B C21 C22 111.0(6) . . ?
H21A C21 H21B 108.9 . . ?
H21A C21 H21C 38.8 . . ?
H21A C21 H21D 135.0 . . ?
H21B C21 H21C 74.0 . . ?
H21B C21 H21D 36.0 . . ?
H21C C21 H21D 108.0 . . ?
C22 C21 H21A 110.9 . . ?
C22 C21 H21B 110.9 . . ?
C22 C21 H21C 109.4 . . ?
C22 C21 H21D 109.4 . . ?
C18 C22 H22A 110.6 . . ?
C18 C22 H22B 110.6 . . ?
C21 C22 C18 105.55(18) . . ?
C21 C22 H22A 110.6 . . ?
C21 C22 H22B 110.6 . . ?
H22A C22 H22B 108.8 . . ?
C24 C23 H23 107.6 . . ?
C24 C23 P2 112.43(14) . . ?
C27 C23 H23 107.6 . . ?
C27 C23 C24 105.55(17) . . ?
C27 C23 P2 115.76(14) . . ?
P2 C23 H23 107.6 . . ?
C23 C24 H24A 110.7 . . ?
C23 C24 H24B 110.7 . . ?
H24A C24 H24B 108.8 . . ?
C25 C24 C23 105.00(17) . . ?
C25 C24 H24A 110.7 . . ?
C25 C24 H24B 110.7 . . ?
C24 C25 H25A 111.1 . . ?
C24 C25 H25B 111.1 . . ?
H25A C25 H25B 109.0 . . ?
C26 C25 C24 103.52(19) . . ?
C26 C25 H25A 111.1 . . ?
C26 C25 H25B 111.1 . . ?
C25 C26 H26A 111.0 . . ?
C25 C26 H26B 111.0 . . ?
C25 C26 C27 103.73(18) . . ?
H26A C26 H26B 109.0 . . ?
C27 C26 H26A 111.0 . . ?
C27 C26 H26B 111.0 . . ?
C23 C27 H27A 110.6 . . ?
C23 C27 H27B 110.6 . . ?
C26 C27 C23 105.64(17) . . ?
C26 C27 H27A 110.6 . . ?
C26 C27 H27B 110.6 . . ?
H27A C27 H27B 108.7 . . ?
C29 C28 H28 106.3 . . ?
C29 C28 P2 115.79(14) . . ?
C32 C28 H28 106.3 . . ?
C32 C28 C29 104.25(16) . . ?
C32 C28 P2 117.17(14) . . ?
P2 C28 H28 106.3 . . ?
C28 C29 H29A 110.5 . . ?
C28 C29 H29B 110.5 . . ?
H29A C29 H29B 108.7 . . ?
C30 C29 C28 106.11(18) . . ?
C30 C29 H29A 110.5 . . ?
C30 C29 H29B 110.5 . . ?
C29 C30 H30A 110.4 . . ?
C29 C30 H30B 110.4 . . ?
H30A C30 H30B 108.6 . . ?
C31 C30 C29 106.45(19) . . ?
C31 C30 H30A 110.4 . . ?
C31 C30 H30B 110.4 . . ?
C30 C31 H31A 111.1 . . ?
C30 C31 H31B 111.1 . . ?
H31A C31 H31B 109.1 . . ?
C32 C31 C30 103.37(18) . . ?
C32 C31 H31A 111.1 . . ?
C32 C31 H31B 111.1 . . ?
C28 C32 H32A 111.1 . . ?
C28 C32 H32B 111.1 . . ?
C31 C32 C28 103.20(17) . . ?
C31 C32 H32A 111.1 . . ?
C31 C32 H32B 111.1 . . ?
H32A C32 H32B 109.1 . . ?
C34 C33 H33 107.9 . . ?
C34 C33 C37 102.74(17) . . ?
C34 C33 P2 116.74(14) . . ?
C37 C33 H33 107.9 . . ?
C37 C33 P2 113.32(14) . . ?
P2 C33 H33 107.9 . . ?
C33 C34 H34A 111.3 . . ?
C33 C34 H34B 111.3 . . ?
H34A C34 H34B 109.2 . . ?
C35 C34 C33 102.36(17) . . ?
C35 C34 H34A 111.3 . . ?
C35 C34 H34B 111.3 . . ?
C34 C35 H35A 110.9 . . ?
C34 C35 H35B 110.9 . . ?
C34 C35 C36 104.07(18) . . ?
H35A C35 H35B 109.0 . . ?
C36 C35 H35A 110.9 . . ?
C36 C35 H35B 110.9 . . ?
C35 C36 H36A 110.4 . . ?
C35 C36 H36B 110.4 . . ?
H36A C36 H36B 108.6 . . ?
C37 C36 C35 106.62(18) . . ?
C37 C36 H36A 110.4 . . ?
C37 C36 H36B 110.4 . . ?
C33 C37 H37A 110.6 . . ?
C33 C37 H37B 110.6 . . ?
C36 C37 C33 105.72(18) . . ?
C36 C37 H37A 110.6 . . ?
C36 C37 H37B 110.6 . . ?
H37A C37 H37B 108.7 . . ?
C2 O1 Pt1 126.90(13) . . ?
C8 P1 C13 103.09(10) . . ?
C8 P1 C18 105.14(10) . . ?
C8 P1 Pt1 111.94(7) . . ?
C13 P1 Pt1 112.54(7) . . ?
C18 P1 C13 102.17(10) . . ?
C18 P1 Pt1 120.19(7) . . ?
C23 P2 C28 103.24(10) . . ?
C23 P2 Pt1 110.66(7) . . ?
C28 P2 Pt1 114.18(7) . . ?
C33 P2 C23 102.20(9) . . ?
C33 P2 C28 104.45(9) . . ?
C33 P2 Pt1 120.22(7) . . ?
C1 Pt1 O1 176.37(7) . . ?
C1 Pt1 P1 89.35(6) . . ?
C1 Pt1 P2 90.65(6) . . ?
O1 Pt1 P1 91.53(4) . . ?
O1 Pt1 P2 89.42(4) . . ?
P2 Pt1 P1 164.957(18) . . ?

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
C2 C3 C4 C5 1.0(4) . . . . ?
C2 C3 C4 F4 179.3(2) . . . . ?
C2 O1 Pt1 P1 -100.90(16) . . . . ?
C2 O1 Pt1 P2 94.12(16) . . . . ?
C3 C2 C7 C6 -2.2(3) . . . . ?
C3 C2 C7 F7 179.88(19) . . . . ?
C3 C2 O1 Pt1 179.00(14) . . . . ?
C3 C4 C5 C6 -0.7(4) . . . . ?
C4 C5 C6 C7 -1.1(4) . . . . ?
C4 C5 C6 F6 177.5(2) . . . . ?
C5 C6 C7 C2 2.6(4) . . . . ?
C5 C6 C7 F7 -179.4(2) . . . . ?
C7 C2 C3 C4 0.4(3) . . . . ?
C7 C2 C3 F3 179.79(18) . . . . ?
C7 C2 O1 Pt1 1.2(3) . . . . ?
C8 C9 C10 C11 10.0(2) . . . . ?
C8 P1 Pt1 C1 146.98(10) . . . . ?
C8 P1 Pt1 O1 -36.54(8) . . . . ?
C8 P1 Pt1 P2 56.91(11) . . . . ?
C9 C8 C12 C11 -36.5(2) . . . . ?
C9 C8 P1 C13 84.27(17) . . . . ?
C9 C8 P1 C18 -169.05(15) . . . . ?
C9 C8 P1 Pt1 -36.92(17) . . . . ?
C9 C10 C11 C12 -32.7(2) . . . . ?
C10 C11 C12 C8 42.9(2) . . . . ?
C12 C8 C9 C10 16.7(2) . . . . ?
C12 C8 P1 C13 -153.38(16) . . . . ?
C12 C8 P1 C18 -46.69(19) . . . . ?
C12 C8 P1 Pt1 85.43(16) . . . . ?
C13 C14 C15 C16 37.4(2) . . . . ?
C13 P1 Pt1 C1 31.42(10) . . . . ?
C13 P1 Pt1 O1 -152.10(8) . . . . ?
C13 P1 Pt1 P2 -58.65(11) . . . . ?
C14 C13 C17 C16 -7.6(2) . . . . ?
C14 C13 P1 C8 60.49(17) . . . . ?
C14 C13 P1 C18 -48.44(18) . . . . ?
C14 C13 P1 Pt1 -178.72(13) . . . . ?
C14 C15 C16 C17 -42.6(3) . . . . ?
C15 C16 C17 C13 30.8(2) . . . . ?
C17 C13 C14 C15 -18.2(2) . . . . ?
C17 C13 P1 C8 -62.90(17) . . . . ?
C17 C13 P1 C18 -171.83(15) . . . . ?
C17 C13 P1 Pt1 57.89(16) . . . . ?
C18 C19 C20A C21 -39.2(3) . . . . ?
C18 C19 C20B C21 24.7(13) . . . . ?
C18 P1 Pt1 C1 -88.94(10) . . . . ?
C18 P1 Pt1 O1 87.53(9) . . . . ?
C18 P1 Pt1 P2 -179.01(9) . . . . ?
C19 C18 C22 C21 3.0(3) . . . . ?
C19 C18 P1 C8 -163.67(16) . . . . ?
C19 C18 P1 C13 -56.31(18) . . . . ?
C19 C18 P1 Pt1 69.07(17) . . . . ?
C19 C20A C21 C20B -64.8(10) . . . . ?
C19 C20A C21 C22 41.3(3) . . . . ?
C19 C20B C21 C20A 63.0(9) . . . . ?
C19 C20B C21 C22 -23.4(13) . . . . ?
C20A C19 C20B C21 -66.8(10) . . . . ?
C20A C21 C22 C18 -27.0(3) . . . . ?
C20B C19 C20A C21 60.3(10) . . . . ?
C20B C21 C22 C18 13.0(9) . . . . ?
C22 C18 C19 C20A 22.3(3) . . . . ?
C22 C18 C19 C20B -16.8(8) . . . . ?
C22 C18 P1 C8 76.90(17) . . . . ?
C22 C18 P1 C13 -175.74(16) . . . . ?
C22 C18 P1 Pt1 -50.35(18) . . . . ?
C23 C24 C25 C26 34.8(2) . . . . ?
C23 P2 Pt1 C1 -167.78(10) . . . . ?
C23 P2 Pt1 O1 15.85(8) . . . . ?
C23 P2 Pt1 P1 -77.88(10) . . . . ?
C24 C23 C27 C26 -10.1(2) . . . . ?
C24 C23 P2 C28 -61.48(16) . . . . ?
C24 C23 P2 C33 -169.72(14) . . . . ?
C24 C23 P2 Pt1 61.09(15) . . . . ?
C24 C25 C26 C27 -41.3(2) . . . . ?
C25 C26 C27 C23 31.7(2) . . . . ?
C27 C23 C24 C25 -15.1(2) . . . . ?
C27 C23 P2 C28 59.93(17) . . . . ?
C27 C23 P2 C33 -48.31(17) . . . . ?
C27 C23 P2 Pt1 -177.50(13) . . . . ?
C28 C29 C30 C31 8.5(3) . . . . ?
C28 P2 Pt1 C1 -51.83(10) . . . . ?
C28 P2 Pt1 O1 131.80(8) . . . . ?
C28 P2 Pt1 P1 38.07(11) . . . . ?
C29 C28 C32 C31 -35.6(2) . . . . ?
C29 C28 P2 C23 88.13(17) . . . . ?
C29 C28 P2 C33 -165.32(15) . . . . ?
C29 C28 P2 Pt1 -32.07(17) . . . . ?
C29 C30 C31 C32 -30.7(3) . . . . ?
C30 C31 C32 C28 41.0(2) . . . . ?
C32 C28 C29 C30 16.8(2) . . . . ?
C32 C28 P2 C23 -148.14(16) . . . . ?
C32 C28 P2 C33 -41.60(18) . . . . ?
C32 C28 P2 Pt1 91.66(16) . . . . ?
C33 C34 C35 C36 -39.6(2) . . . . ?
C33 P2 Pt1 C1 73.47(10) . . . . ?
C33 P2 Pt1 O1 -102.90(8) . . . . ?
C33 P2 Pt1 P1 163.37(9) . . . . ?
C34 C33 C37 C36 -28.9(2) . . . . ?
C34 C33 P2 C23 -164.70(15) . . . . ?
C34 C33 P2 C28 87.99(16) . . . . ?
C34 C33 P2 Pt1 -41.76(17) . . . . ?
C34 C35 C36 C37 21.7(3) . . . . ?
C35 C36 C37 C33 4.6(3) . . . . ?
C37 C33 C34 C35 42.2(2) . . . . ?
C37 C33 P2 C23 -45.62(18) . . . . ?
C37 C33 P2 C28 -152.93(16) . . . . ?
C37 C33 P2 Pt1 77.32(17) . . . . ?
F3 C3 C4 C5 -178.4(2) . . . . ?
F3 C3 C4 F4 0.0(3) . . . . ?
F4 C4 C5 C6 -179.0(2) . . . . ?
F6 C6 C7 C2 -176.0(2) . . . . ?
F6 C6 C7 F7 2.0(3) . . . . ?
O1 C2 C3 C4 -177.6(2) . . . . ?
O1 C2 C3 F3 1.7(3) . . . . ?
O1 C2 C7 C6 175.7(2) . . . . ?
O1 C2 C7 F7 -2.2(3) . . . . ?
P1 C8 C9 C10 145.42(16) . . . . ?
P1 C8 C12 C11 -163.53(16) . . . . ?
P1 C13 C14 C15 -145.73(17) . . . . ?
P1 C13 C17 C16 121.28(18) . . . . ?
P1 C18 C19 C20A -101.9(2) . . . . ?
P1 C18 C19 C20B -140.9(8) . . . . ?
P1 C18 C22 C21 126.61(19) . . . . ?
P2 C23 C24 C25 111.95(17) . . . . ?
P2 C23 C27 C26 -135.11(16) . . . . ?
P2 C28 C29 C30 147.00(18) . . . . ?
P2 C28 C32 C31 -165.06(16) . . . . ?
P2 C33 C34 C35 166.86(15) . . . . ?
P2 C33 C37 C36 -155.77(17) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 -3 2 0.0329 -0.0006 -2.9997 2.0006 -0.0439 -0.1267 -0.0083
0 3 -2 0.0329 0.0006 2.9997 -2.0006 0.0439 0.1267 0.0083
0 -2 -1 0.0478 0.0002 -1.9993 -1.0002 -0.0689 0.0230 0.0268
0 2 1 0.0478 -0.0002 1.9993 1.0002 0.0689 -0.0230 -0.0268
1 0 0 0.0876 1.0005 -0.0008 0.0002 -0.0168 -0.0007 -0.0683
-1 0 0 0.0876 -1.0005 0.0008 -0.0002 0.0168 0.0007 0.0683

###END
_database_code_depnum_ccdc_archive 'CCDC 983216'
