# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

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

data_3a
_database_code_depnum_ccdc_archive 'CCDC 2126369'
loop_
_audit_author_name
_audit_author_address
'Eleuterio Alvarez'
; Spanish National Research Council (CSIC) 
Spain
;
_audit_update_record             
;
2021-12-06 deposited with the CCDC.	2022-03-18 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H49 P2 Pt, F6 P'
_chemical_formula_sum            'C36 H49 F6 P3 Pt'
_chemical_formula_weight         883.75

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'
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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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.
;

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

_cell_length_a                   16.9493(8)
_cell_length_b                   18.3544(8)
_cell_length_c                   47.091(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14649.7(11)
_cell_formula_units_Z            16
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    7113
_cell_measurement_theta_min      3.38
_cell_measurement_theta_max      26.67

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_F_000             7072
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    4.017
_shelx_estimated_absorpt_T_min   0.458
_shelx_estimated_absorpt_T_max   0.584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5031
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;
program SADABS, Bruker (2001)
;
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
;
 Bruker-Nonius X8kappa APEX II CCD area detector
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_reflns_number            154736
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_av_R_equivalents  0.0993
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_theta_min         2.088
_diffrn_reflns_theta_max         28.284
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             18170
_reflns_number_gt                13489
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0445P)²+62.5716P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18170
_refine_ls_number_parameters     849
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0435
_refine_ls_wR_factor_ref         0.1100
_refine_ls_wR_factor_gt          0.0977
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.30463(2) 0.12357(2) 0.05520(2) 0.02582(6) Uani 1 1 d . . . . .
P1 P 0.42669(8) 0.12354(8) 0.07393(3) 0.0281(3) Uani 1 1 d . . . . .
P2 P 0.11025(8) 0.11323(8) 0.06072(3) 0.0298(3) Uani 1 1 d . . . . .
C1 C 0.3370(3) 0.0218(3) 0.04063(13) 0.0371(13) Uani 1 1 d . . . . .
H1A H 0.308653 -0.015187 0.052044 0.045 Uiso 1 1 calc R U . . .
H1B H 0.318521 0.016941 0.020777 0.045 Uiso 1 1 calc R U . . .
C2 C 0.4243(3) 0.0038(3) 0.04140(11) 0.0291(11) Uani 1 1 d . . . . .
C3 C 0.4525(4) -0.0560(3) 0.02640(12) 0.0360(13) Uani 1 1 d . . . . .
H3 H 0.417141 -0.085085 0.015615 0.043 Uiso 1 1 calc R U . . .
C4 C 0.5318(4) -0.0731(3) 0.02714(13) 0.0401(14) Uani 1 1 d . . . . .
H4 H 0.550966 -0.113711 0.016688 0.048 Uiso 1 1 calc R U . . .
C5 C 0.5832(4) -0.0317(4) 0.04296(12) 0.0396(14) Uani 1 1 d . . . . .
H5 H 0.637641 -0.044123 0.043312 0.047 Uiso 1 1 calc R U . . .
C6 C 0.5570(3) 0.0279(3) 0.05840(12) 0.0351(12) Uani 1 1 d . . . . .
C7 C 0.4760(3) 0.0465(3) 0.05708(11) 0.0291(11) Uani 1 1 d . . . . .
C8 C 0.6166(4) 0.0702(4) 0.07571(15) 0.0505(17) Uani 1 1 d . . . . .
H8A H 0.667459 0.044763 0.075362 0.076 Uiso 1 1 calc R U . . .
H8B H 0.598119 0.074250 0.095361 0.076 Uiso 1 1 calc R U . . .
H8C H 0.622975 0.119057 0.067615 0.076 Uiso 1 1 calc R U . . .
C9 C 0.4878(3) 0.2060(3) 0.06792(13) 0.0351(12) Uani 1 1 d . . . . .
H9 H 0.534664 0.203261 0.080794 0.042 Uiso 1 1 calc R U . . .
C10 C 0.5177(5) 0.2086(4) 0.03729(15) 0.0571(19) Uani 1 1 d . . . . .
H10A H 0.472946 0.215205 0.024369 0.086 Uiso 1 1 calc R U . . .
H10B H 0.544838 0.162943 0.032760 0.086 Uiso 1 1 calc R U . . .
H10C H 0.554466 0.249467 0.035124 0.086 Uiso 1 1 calc R U . . .
C11 C 0.4433(4) 0.2765(3) 0.07452(17) 0.0546(18) Uani 1 1 d . . . . .
H11A H 0.479645 0.317899 0.073250 0.082 Uiso 1 1 calc R U . . .
H11B H 0.421311 0.273884 0.093738 0.082 Uiso 1 1 calc R U . . .
H11C H 0.400401 0.282905 0.060786 0.082 Uiso 1 1 calc R U . . .
C12 C 0.4311(4) 0.1022(4) 0.11238(11) 0.0400(14) Uani 1 1 d . . . . .
H12 H 0.487777 0.093511 0.117212 0.048 Uiso 1 1 calc R U . . .
C13 C 0.3872(5) 0.0312(4) 0.11794(15) 0.062(2) Uani 1 1 d . . . . .
H13A H 0.395901 0.015991 0.137634 0.093 Uiso 1 1 calc R U . . .
H13B H 0.406783 -0.006570 0.105042 0.093 Uiso 1 1 calc R U . . .
H13C H 0.330633 0.038613 0.114715 0.093 Uiso 1 1 calc R U . . .
C14 C 0.4018(5) 0.1620(4) 0.13164(14) 0.061(2) Uani 1 1 d . . . . .
H14A H 0.348186 0.175839 0.126072 0.091 Uiso 1 1 calc R U . . .
H14B H 0.436727 0.204354 0.130045 0.091 Uiso 1 1 calc R U . . .
H14C H 0.401584 0.144600 0.151316 0.091 Uiso 1 1 calc R U . . .
C15 C 0.1880(3) 0.1354(3) 0.03691(10) 0.0263(10) Uani 1 1 d . . . . .
H15 H 0.179141 0.115678 0.018484 0.032 Uiso 1 1 d R U . . .
C16 C 0.2242(3) 0.2061(3) 0.04027(11) 0.0262(10) Uani 1 1 d . . . . .
C17 C 0.2408(3) 0.2294(3) 0.06785(12) 0.0319(12) Uani 1 1 d . . . . .
H17 H 0.271142 0.272997 0.069995 0.038 Uiso 1 1 d R U . . .
C18 C 0.1939(3) 0.2114(3) 0.09334(11) 0.0308(11) Uani 1 1 d . . . . .
C19 C 0.1314(3) 0.1601(3) 0.09340(11) 0.0341(12) Uani 1 1 d . . . . .
C20 C 0.0832(4) 0.1513(4) 0.11769(12) 0.0423(14) Uani 1 1 d . . . . .
C21 C 0.1020(4) 0.1915(4) 0.14161(13) 0.0517(18) Uani 1 1 d . . . . .
H21 H 0.070708 0.185636 0.158203 0.062 Uiso 1 1 calc R U . . .
C22 C 0.1632(4) 0.2388(4) 0.14224(13) 0.0517(18) Uani 1 1 d . . . . .
H22 H 0.174659 0.264826 0.159180 0.062 Uiso 1 1 calc R U . . .
C23 C 0.2091(4) 0.2494(4) 0.11839(12) 0.0411(14) Uani 1 1 d . . . . .
H23 H 0.251626 0.283022 0.119038 0.049 Uiso 1 1 calc R U . . .
C24 C 0.0119(4) 0.1020(5) 0.11887(15) 0.063(2) Uani 1 1 d . . . . .
H24A H 0.028944 0.051043 0.117951 0.094 Uiso 1 1 calc R U . . .
H24B H -0.022886 0.112636 0.102766 0.094 Uiso 1 1 calc R U . . .
H24C H -0.016712 0.110366 0.136665 0.094 Uiso 1 1 calc R U . . .
C25 C 0.2490(3) 0.2483(3) 0.01496(11) 0.0294(11) Uani 1 1 d . . . . .
C26 C 0.2445(4) 0.3237(3) 0.01499(12) 0.0382(13) Uani 1 1 d . . . . .
H26 H 0.227487 0.348402 0.031627 0.046 Uiso 1 1 calc R U . . .
C27 C 0.2644(4) 0.3632(4) -0.00881(14) 0.0471(16) Uani 1 1 d . . . . .
H27 H 0.260985 0.414824 -0.008419 0.057 Uiso 1 1 calc R U . . .
C28 C 0.2893(4) 0.3286(4) -0.03323(13) 0.0473(16) Uani 1 1 d . . . . .
H28 H 0.303126 0.355963 -0.049614 0.057 Uiso 1 1 calc R U . . .
C29 C 0.2938(4) 0.2533(4) -0.03341(13) 0.0453(15) Uani 1 1 d . . . . .
H29 H 0.310726 0.228676 -0.050088 0.054 Uiso 1 1 calc R U . . .
C30 C 0.2740(4) 0.2140(4) -0.00977(11) 0.0377(13) Uani 1 1 d . . . . .
H30 H 0.277456 0.162310 -0.010272 0.045 Uiso 1 1 calc R U . . .
C31 C 0.0184(3) 0.1522(3) 0.04662(12) 0.0350(13) Uani 1 1 d . . . . .
H31 H -0.025357 0.137453 0.059640 0.042 Uiso 1 1 calc R U . . .
C32 C 0.0225(5) 0.2348(4) 0.0467(2) 0.068(2) Uani 1 1 d . . . . .
H32A H 0.066620 0.250857 0.034829 0.102 Uiso 1 1 calc R U . . .
H32B H 0.030509 0.252077 0.066225 0.102 Uiso 1 1 calc R U . . .
H32C H -0.026896 0.254762 0.039264 0.102 Uiso 1 1 calc R U . . .
C33 C -0.0016(4) 0.1241(4) 0.01714(14) 0.0564(19) Uani 1 1 d . . . . .
H33A H -0.049023 0.148887 0.010144 0.085 Uiso 1 1 calc R U . . .
H33B H -0.011338 0.071533 0.018012 0.085 Uiso 1 1 calc R U . . .
H33C H 0.042524 0.133833 0.004248 0.085 Uiso 1 1 calc R U . . .
C34 C 0.1012(4) 0.0152(3) 0.06493(13) 0.0377(13) Uani 1 1 d . . . . .
H34 H 0.045042 0.004281 0.069777 0.045 Uiso 1 1 calc R U . . .
C35 C 0.1207(4) -0.0244(4) 0.03702(15) 0.0504(17) Uani 1 1 d . . . . .
H35A H 0.176397 -0.016706 0.032267 0.076 Uiso 1 1 calc R U . . .
H35B H 0.087500 -0.005178 0.021734 0.076 Uiso 1 1 calc R U . . .
H35C H 0.110714 -0.076699 0.039283 0.076 Uiso 1 1 calc R U . . .
C36 C 0.1534(5) -0.0145(4) 0.08923(15) 0.0557(18) Uani 1 1 d . . . . .
H36A H 0.144571 -0.067015 0.091272 0.083 Uiso 1 1 calc R U . . .
H36B H 0.139549 0.010120 0.107012 0.083 Uiso 1 1 calc R U . . .
H36C H 0.209011 -0.005481 0.084811 0.083 Uiso 1 1 calc R U . . .
Pt2 Pt 0.74310(2) 0.24656(2) 0.20641(2) 0.02452(5) Uani 1 1 d . . . . .
P3 P 0.74976(8) 0.27558(8) 0.15996(3) 0.0280(3) Uani 1 1 d . . . . .
P4 P 0.72727(9) 0.11335(8) 0.25109(3) 0.0288(3) Uani 1 1 d . . . . .
C37 C 0.8635(3) 0.2626(3) 0.20492(11) 0.0286(11) Uani 1 1 d . . . . .
H37A H 0.878257 0.293867 0.221203 0.034 Uiso 1 1 calc R U . . .
H37B H 0.889339 0.214825 0.207784 0.034 Uiso 1 1 calc R U . . .
C38 C 0.8974(3) 0.2962(3) 0.17847(11) 0.0281(11) Uani 1 1 d . . . . .
C39 C 0.9766(3) 0.3161(3) 0.17817(13) 0.0360(13) Uani 1 1 d . . . . .
H39 H 1.009280 0.305190 0.194004 0.043 Uiso 1 1 calc R U . . .
C40 C 1.0077(4) 0.3515(3) 0.15490(14) 0.0407(14) Uani 1 1 d . . . . .
H40 H 1.061567 0.365638 0.154828 0.049 Uiso 1 1 calc R U . . .
C41 C 0.9610(4) 0.3663(3) 0.13192(13) 0.0423(14) Uani 1 1 d . . . . .
H41 H 0.983802 0.390212 0.116007 0.051 Uiso 1 1 calc R U . . .
C42 C 0.8814(4) 0.3477(3) 0.13096(12) 0.0371(13) Uani 1 1 d . . . . .
C43 C 0.8499(3) 0.3108(3) 0.15475(11) 0.0295(11) Uani 1 1 d . . . . .
C44 C 0.8359(4) 0.3719(4) 0.10536(14) 0.059(2) Uani 1 1 d . . . . .
H44A H 0.804649 0.415104 0.110140 0.089 Uiso 1 1 calc R U . . .
H44B H 0.800682 0.332625 0.099212 0.089 Uiso 1 1 calc R U . . .
H44C H 0.872708 0.383799 0.089992 0.089 Uiso 1 1 calc R U . . .
C45 C 0.6775(3) 0.3405(3) 0.14519(12) 0.0363(13) Uani 1 1 d . . . . .
H45 H 0.694312 0.352698 0.125400 0.044 Uiso 1 1 calc R U . . .
C46 C 0.6763(5) 0.4100(4) 0.16206(18) 0.067(2) Uani 1 1 d . . . . .
H46A H 0.636241 0.442866 0.154229 0.101 Uiso 1 1 calc R U . . .
H46B H 0.728175 0.433365 0.161031 0.101 Uiso 1 1 calc R U . . .
H46C H 0.663607 0.399046 0.181909 0.101 Uiso 1 1 calc R U . . .
C47 C 0.5948(4) 0.3069(4) 0.14364(16) 0.0545(19) Uani 1 1 d . . . . .
H47A H 0.576851 0.294508 0.162827 0.082 Uiso 1 1 calc R U . . .
H47B H 0.596496 0.262665 0.131991 0.082 Uiso 1 1 calc R U . . .
H47C H 0.558223 0.341967 0.135118 0.082 Uiso 1 1 calc R U . . .
C48 C 0.7410(4) 0.1909(3) 0.13888(12) 0.0374(13) Uani 1 1 d . . . . .
H48 H 0.685414 0.173647 0.141187 0.045 Uiso 1 1 calc R U . . .
C49 C 0.7546(5) 0.1997(4) 0.10712(13) 0.056(2) Uani 1 1 d . . . . .
H49A H 0.808706 0.216414 0.103760 0.084 Uiso 1 1 calc R U . . .
H49B H 0.717371 0.235662 0.099528 0.084 Uiso 1 1 calc R U . . .
H49C H 0.746388 0.152836 0.097616 0.084 Uiso 1 1 calc R U . . .
C50 C 0.7933(4) 0.1307(4) 0.15039(16) 0.0534(18) Uani 1 1 d . . . . .
H50A H 0.785995 0.086503 0.139029 0.080 Uiso 1 1 calc R U . . .
H50B H 0.779209 0.120721 0.170191 0.080 Uiso 1 1 calc R U . . .
H50C H 0.848662 0.146053 0.149394 0.080 Uiso 1 1 calc R U . . .
C51 C 0.7230(3) 0.2090(3) 0.24958(10) 0.0269(11) Uani 1 1 d . . . . .
H51 H 0.752648 0.230546 0.264308 0.032 Uiso 1 1 d R U . . .
C52 C 0.6516(3) 0.2430(3) 0.23900(11) 0.0289(11) Uani 1 1 d . . . . .
C53 C 0.6172(3) 0.2111(3) 0.21475(10) 0.0248(10) Uani 1 1 d . . . . .
H53 H 0.571474 0.232404 0.206911 0.030 Uiso 1 1 d R U . . .
C54 C 0.6230(3) 0.1342(3) 0.20706(10) 0.0263(10) Uani 1 1 d . . . . .
C55 C 0.6692(3) 0.0820(3) 0.22158(10) 0.0284(11) Uani 1 1 d . . . . .
C56 C 0.6663(3) 0.0078(3) 0.21373(12) 0.0323(12) Uani 1 1 d . . . . .
C57 C 0.6222(4) -0.0113(3) 0.18998(13) 0.0391(13) Uani 1 1 d . . . . .
H57 H 0.621728 -0.060633 0.183855 0.047 Uiso 1 1 calc R U . . .
C58 C 0.5794(4) 0.0396(3) 0.17517(12) 0.0387(13) Uani 1 1 d . . . . .
H58 H 0.550383 0.025246 0.158839 0.046 Uiso 1 1 calc R U . . .
C59 C 0.5781(3) 0.1108(3) 0.18378(11) 0.0331(12) Uani 1 1 d . . . . .
H59 H 0.546369 0.144983 0.173819 0.040 Uiso 1 1 calc R U . . .
C60 C 0.7057(4) -0.0528(3) 0.22984(13) 0.0390(14) Uani 1 1 d . . . . .
H60A H 0.667900 -0.074661 0.243093 0.059 Uiso 1 1 calc R U . . .
H60B H 0.750730 -0.033363 0.240448 0.059 Uiso 1 1 calc R U . . .
H60C H 0.724138 -0.090033 0.216460 0.059 Uiso 1 1 calc R U . . .
C61 C 0.6218(3) 0.3134(3) 0.25141(11) 0.0309(11) Uani 1 1 d . . . . .
C62 C 0.5529(4) 0.3456(4) 0.24102(14) 0.0434(15) Uani 1 1 d . . . . .
H62 H 0.525837 0.324644 0.225374 0.052 Uiso 1 1 calc R U . . .
C63 C 0.5244(4) 0.4087(4) 0.25375(15) 0.0520(17) Uani 1 1 d . . . . .
H63 H 0.477787 0.430815 0.246619 0.062 Uiso 1 1 calc R U . . .
C64 C 0.5623(4) 0.4391(3) 0.27628(15) 0.0476(17) Uani 1 1 d . . . . .
H64 H 0.541546 0.481840 0.284896 0.057 Uiso 1 1 calc R U . . .
C65 C 0.6301(4) 0.4087(3) 0.28660(13) 0.0429(15) Uani 1 1 d . . . . .
H65 H 0.657069 0.430533 0.302095 0.051 Uiso 1 1 calc R U . . .
C66 C 0.6592(4) 0.3457(3) 0.27428(12) 0.0369(13) Uani 1 1 d . . . . .
H66 H 0.705836 0.324173 0.281695 0.044 Uiso 1 1 calc R U . . .
C67 C 0.8304(3) 0.0830(3) 0.25102(12) 0.0356(12) Uani 1 1 d . . . . .
H67 H 0.832300 0.037152 0.262460 0.043 Uiso 1 1 calc R U . . .
C68 C 0.8622(4) 0.0640(4) 0.22148(13) 0.0439(15) Uani 1 1 d . . . . .
H68A H 0.862444 0.107861 0.209593 0.066 Uiso 1 1 calc R U . . .
H68B H 0.828377 0.026946 0.212742 0.066 Uiso 1 1 calc R U . . .
H68C H 0.916035 0.045129 0.223195 0.066 Uiso 1 1 calc R U . . .
C69 C 0.8831(4) 0.1387(4) 0.26641(14) 0.0474(16) Uani 1 1 d . . . . .
H69A H 0.936417 0.118730 0.268413 0.071 Uiso 1 1 calc R U . . .
H69B H 0.861177 0.148840 0.285259 0.071 Uiso 1 1 calc R U . . .
H69C H 0.885188 0.183871 0.255363 0.071 Uiso 1 1 calc R U . . .
C70 C 0.6818(4) 0.0766(3) 0.28326(12) 0.0417(14) Uani 1 1 d . . . . .
H70 H 0.679752 0.022441 0.281076 0.050 Uiso 1 1 calc R U . . .
C71 C 0.5959(4) 0.1037(5) 0.28525(14) 0.061(2) Uani 1 1 d . . . . .
H71A H 0.568795 0.078256 0.300718 0.091 Uiso 1 1 calc R U . . .
H71B H 0.568653 0.093966 0.267290 0.091 Uiso 1 1 calc R U . . .
H71C H 0.595616 0.156260 0.288998 0.091 Uiso 1 1 calc R U . . .
C72 C 0.7278(5) 0.0926(4) 0.31037(13) 0.0529(18) Uani 1 1 d . . . . .
H72A H 0.733618 0.145456 0.312627 0.079 Uiso 1 1 calc R U . . .
H72B H 0.780110 0.070088 0.309171 0.079 Uiso 1 1 calc R U . . .
H72C H 0.699309 0.072719 0.326723 0.079 Uiso 1 1 calc R U . . .
P5 P 0.37052(13) 0.34801(14) 0.18206(5) 0.0678(6) Uani 1 1 d . . . . .
F1 F 0.3003(4) 0.4032(4) 0.18028(17) 0.127(2) Uani 1 1 d . U . . .
F2 F 0.3087(3) 0.2828(3) 0.18187(11) 0.0798(14) Uani 1 1 d . U . . .
F3 F 0.3777(3) 0.3435(3) 0.14853(10) 0.0891(16) Uani 1 1 d . U . . .
F4 F 0.4400(3) 0.2888(3) 0.18522(10) 0.0849(15) Uani 1 1 d . U . . .
F5 F 0.4340(4) 0.4090(4) 0.18375(16) 0.133(3) Uani 1 1 d . U . . .
F6 F 0.3633(3) 0.3479(4) 0.21622(11) 0.109(2) Uani 1 1 d . U . . .
P6 P 0.64002(10) 0.44801(10) 0.06256(4) 0.0486(4) Uani 1 1 d . . . . .
F7 F 0.5740(5) 0.4213(4) 0.04335(15) 0.139(3) Uani 1 1 d . U . . .
F8 F 0.5806(4) 0.4396(3) 0.08793(13) 0.114(2) Uani 1 1 d . U . . .
F9 F 0.6107(3) 0.5285(3) 0.05920(14) 0.1049(19) Uani 1 1 d . U . . .
F10 F 0.7023(4) 0.4779(4) 0.0843(2) 0.146(3) Uani 1 1 d . U . . .
F11 F 0.6992(5) 0.4571(5) 0.03821(19) 0.158(3) Uani 1 1 d . U . . .
F12 F 0.6691(4) 0.3687(3) 0.06819(14) 0.1015(18) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 2.064(6) . ?
Pt1 C16 2.156(5) . ?
Pt1 C15 2.167(5) . ?
Pt1 P1 2.2492(13) . ?
Pt1 C17 2.302(5) . ?
P1 C7 1.825(5) . ?
P1 C12 1.854(6) . ?
P1 C9 1.855(6) . ?
P2 C15 1.778(5) . ?
P2 C19 1.799(6) . ?
P2 C34 1.816(6) . ?
P2 C31 1.837(6) . ?
C1 C2 1.516(8) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C7 1.388(7) . ?
C2 C3 1.390(7) . ?
C3 C4 1.382(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.375(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.416(8) . ?
C6 C8 1.514(8) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.529(9) . ?
C9 C11 1.531(9) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.508(9) . ?
C12 C13 1.522(10) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.443(7) . ?
C15 H15 0.9526 . ?
C16 C17 1.397(7) . ?
C16 C25 1.482(7) . ?
C17 C18 1.478(8) . ?
C17 H17 0.9560 . ?
C18 C23 1.394(7) . ?
C18 C19 1.417(8) . ?
C19 C20 1.415(8) . ?
C20 C21 1.384(9) . ?
C20 C24 1.510(10) . ?
C21 C22 1.354(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.380(9) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.387(8) . ?
C25 C30 1.390(7) . ?
C26 C27 1.377(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.379(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.368(8) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.517(9) . ?
C31 C33 1.520(8) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.538(9) . ?
C34 C36 1.545(9) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
Pt2 C37 2.062(5) . ?
Pt2 C51 2.173(5) . ?
Pt2 C52 2.182(5) . ?
Pt2 P3 2.2540(13) . ?
Pt2 C53 2.266(5) . ?
P3 C43 1.832(5) . ?
P3 C45 1.845(6) . ?
P3 C48 1.851(6) . ?
P4 C51 1.759(5) . ?
P4 C55 1.798(5) . ?
P4 C70 1.829(6) . ?
P4 C67 1.834(6) . ?
C37 C38 1.504(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.392(7) . ?
C38 C43 1.402(7) . ?
C39 C40 1.379(8) . ?
C39 H39 0.9500 . ?
C40 C41 1.367(9) . ?
C40 H40 0.9500 . ?
C41 C42 1.393(8) . ?
C41 H41 0.9500 . ?
C42 C43 1.414(7) . ?
C42 C44 1.498(8) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.503(9) . ?
C45 C47 1.533(8) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C50 1.516(9) . ?
C48 C49 1.522(8) . ?
C48 H48 1.0000 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.449(7) . ?
C51 H51 0.9430 . ?
C52 C53 1.410(7) . ?
C52 C61 1.505(7) . ?
C53 C54 1.461(7) . ?
C53 H53 0.9428 . ?
C54 C59 1.402(7) . ?
C54 C55 1.413(7) . ?
C55 C56 1.411(7) . ?
C56 C57 1.390(8) . ?
C56 C60 1.504(8) . ?
C57 C58 1.373(9) . ?
C57 H57 0.9500 . ?
C58 C59 1.369(8) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C66 1.384(8) . ?
C61 C62 1.396(8) . ?
C62 C63 1.390(9) . ?
C62 H62 0.9500 . ?
C63 C64 1.360(10) . ?
C63 H63 0.9500 . ?
C64 C65 1.368(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.384(8) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C68 1.532(8) . ?
C67 C69 1.538(8) . ?
C67 H67 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C72 1.525(9) . ?
C70 C71 1.541(10) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
P5 F5 1.555(6) . ?
P5 F1 1.565(7) . ?
P5 F3 1.586(5) . ?
P5 F2 1.590(5) . ?
P5 F4 1.609(6) . ?
P5 F6 1.613(6) . ?
P6 F7 1.520(6) . ?
P6 F11 1.533(7) . ?
P6 F12 1.560(5) . ?
P6 F9 1.567(6) . ?
P6 F8 1.570(6) . ?
P6 F10 1.571(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 C16 134.1(2) . . ?
C1 Pt1 C15 101.6(2) . . ?
C16 Pt1 C15 39.00(19) . . ?
C1 Pt1 P1 83.44(16) . . ?
C16 Pt1 P1 135.23(15) . . ?
C15 Pt1 P1 174.23(15) . . ?
C1 Pt1 C17 167.1(2) . . ?
C16 Pt1 C17 36.33(18) . . ?
C15 Pt1 C17 65.76(19) . . ?
P1 Pt1 C17 109.31(14) . . ?
C7 P1 C12 104.0(3) . . ?
C7 P1 C9 108.1(3) . . ?
C12 P1 C9 107.4(3) . . ?
C7 P1 Pt1 104.52(18) . . ?
C12 P1 Pt1 114.8(2) . . ?
C9 P1 Pt1 116.98(19) . . ?
C15 P2 C19 106.4(3) . . ?
C15 P2 C34 111.0(3) . . ?
C19 P2 C34 113.4(3) . . ?
C15 P2 C31 108.1(2) . . ?
C19 P2 C31 106.9(3) . . ?
C34 P2 C31 110.7(3) . . ?
C2 C1 Pt1 116.6(4) . . ?
C2 C1 H1A 108.1 . . ?
Pt1 C1 H1A 108.1 . . ?
C2 C1 H1B 108.1 . . ?
Pt1 C1 H1B 108.1 . . ?
H1A C1 H1B 107.3 . . ?
C7 C2 C3 119.9(5) . . ?
C7 C2 C1 120.4(5) . . ?
C3 C2 C1 119.7(5) . . ?
C4 C3 C2 120.1(6) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 120.3(6) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 121.1(6) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C7 118.6(5) . . ?
C5 C6 C8 118.2(5) . . ?
C7 C6 C8 123.2(5) . . ?
C2 C7 C6 120.0(5) . . ?
C2 C7 P1 112.3(4) . . ?
C6 C7 P1 127.7(4) . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C11 109.1(6) . . ?
C10 C9 P1 110.8(4) . . ?
C11 C9 P1 112.5(4) . . ?
C10 C9 H9 108.1 . . ?
C11 C9 H9 108.1 . . ?
P1 C9 H9 108.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 C13 111.0(6) . . ?
C14 C12 P1 114.8(5) . . ?
C13 C12 P1 109.2(4) . . ?
C14 C12 H12 107.1 . . ?
C13 C12 H12 107.1 . . ?
P1 C12 H12 107.1 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 P2 116.9(4) . . ?
C16 C15 Pt1 70.1(3) . . ?
P2 C15 Pt1 113.7(2) . . ?
C16 C15 H15 120.6 . . ?
P2 C15 H15 111.7 . . ?
Pt1 C15 H15 117.9 . . ?
C17 C16 C15 117.6(5) . . ?
C17 C16 C25 122.0(5) . . ?
C15 C16 C25 120.1(4) . . ?
C17 C16 Pt1 77.5(3) . . ?
C15 C16 Pt1 70.9(3) . . ?
C25 C16 Pt1 116.7(3) . . ?
C16 C17 C18 125.3(5) . . ?
C16 C17 Pt1 66.1(3) . . ?
C18 C17 Pt1 105.9(4) . . ?
C16 C17 H17 117.6 . . ?
C18 C17 H17 113.0 . . ?
Pt1 C17 H17 118.8 . . ?
C23 C18 C19 118.0(5) . . ?
C23 C18 C17 118.4(5) . . ?
C19 C18 C17 123.6(5) . . ?
C20 C19 C18 120.6(5) . . ?
C20 C19 P2 121.5(5) . . ?
C18 C19 P2 117.7(4) . . ?
C21 C20 C19 117.7(6) . . ?
C21 C20 C24 118.2(6) . . ?
C19 C20 C24 124.1(6) . . ?
C22 C21 C20 122.4(6) . . ?
C22 C21 H21 118.8 . . ?
C20 C21 H21 118.8 . . ?
C21 C22 C23 120.3(6) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C18 120.9(6) . . ?
C22 C23 H23 119.5 . . ?
C18 C23 H23 119.5 . . ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 118.0(5) . . ?
C26 C25 C16 120.3(5) . . ?
C30 C25 C16 121.6(5) . . ?
C27 C26 C25 120.7(6) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C26 C27 C28 120.8(6) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C27 C28 C29 118.8(6) . . ?
C27 C28 H28 120.6 . . ?
C29 C28 H28 120.6 . . ?
C30 C29 C28 120.5(6) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C29 C30 C25 121.2(6) . . ?
C29 C30 H30 119.4 . . ?
C25 C30 H30 119.4 . . ?
C32 C31 C33 110.6(6) . . ?
C32 C31 P2 110.4(4) . . ?
C33 C31 P2 112.8(4) . . ?
C32 C31 H31 107.6 . . ?
C33 C31 H31 107.6 . . ?
P2 C31 H31 107.6 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C36 110.0(5) . . ?
C35 C34 P2 111.0(4) . . ?
C36 C34 P2 112.5(4) . . ?
C35 C34 H34 107.7 . . ?
C36 C34 H34 107.7 . . ?
P2 C34 H34 107.7 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C37 Pt2 C51 103.4(2) . . ?
C37 Pt2 C52 136.9(2) . . ?
C51 Pt2 C52 38.87(19) . . ?
C37 Pt2 P3 83.32(15) . . ?
C51 Pt2 P3 172.08(14) . . ?
C52 Pt2 P3 136.48(14) . . ?
C37 Pt2 C53 168.18(19) . . ?
C51 Pt2 C53 66.38(18) . . ?
C52 Pt2 C53 36.91(18) . . ?
P3 Pt2 C53 106.45(13) . . ?
C43 P3 C45 109.7(3) . . ?
C43 P3 C48 107.4(3) . . ?
C45 P3 C48 106.7(3) . . ?
C43 P3 Pt2 105.05(17) . . ?
C45 P3 Pt2 119.0(2) . . ?
C48 P3 Pt2 108.53(19) . . ?
C51 P4 C55 105.4(2) . . ?
C51 P4 C70 112.6(3) . . ?
C55 P4 C70 106.9(3) . . ?
C51 P4 C67 110.0(3) . . ?
C55 P4 C67 115.0(3) . . ?
C70 P4 C67 106.9(3) . . ?
C38 C37 Pt2 117.7(3) . . ?
C38 C37 H37A 107.9 . . ?
Pt2 C37 H37A 107.9 . . ?
C38 C37 H37B 107.9 . . ?
Pt2 C37 H37B 107.9 . . ?
H37A C37 H37B 107.2 . . ?
C39 C38 C43 119.8(5) . . ?
C39 C38 C37 119.0(5) . . ?
C43 C38 C37 121.2(5) . . ?
C40 C39 C38 120.0(5) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C41 C40 C39 120.2(6) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 122.5(6) . . ?
C40 C41 H41 118.8 . . ?
C42 C41 H41 118.8 . . ?
C41 C42 C43 117.3(5) . . ?
C41 C42 C44 116.8(6) . . ?
C43 C42 C44 125.8(5) . . ?
C38 C43 C42 120.4(5) . . ?
C38 C43 P3 111.0(4) . . ?
C42 C43 P3 128.7(4) . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C47 110.8(6) . . ?
C46 C45 P3 111.0(4) . . ?
C47 C45 P3 111.4(4) . . ?
C46 C45 H45 107.9 . . ?
C47 C45 H45 107.9 . . ?
P3 C45 H45 107.9 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C50 C48 C49 109.9(6) . . ?
C50 C48 P3 111.9(4) . . ?
C49 C48 P3 115.2(5) . . ?
C50 C48 H48 106.4 . . ?
C49 C48 H48 106.4 . . ?
P3 C48 H48 106.4 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 H50A 109.5 . . ?
C48 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C48 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 P4 118.5(4) . . ?
C52 C51 Pt2 70.9(3) . . ?
P4 C51 Pt2 110.4(2) . . ?
C52 C51 H51 121.1 . . ?
P4 C51 H51 111.5 . . ?
Pt2 C51 H51 118.1 . . ?
C53 C52 C51 116.5(5) . . ?
C53 C52 C61 122.1(5) . . ?
C51 C52 C61 121.1(5) . . ?
C53 C52 Pt2 74.8(3) . . ?
C51 C52 Pt2 70.2(3) . . ?
C61 C52 Pt2 119.1(4) . . ?
C52 C53 C54 125.0(4) . . ?
C52 C53 Pt2 68.3(3) . . ?
C54 C53 Pt2 99.8(3) . . ?
C52 C53 H53 119.0 . . ?
C54 C53 H53 111.1 . . ?
Pt2 C53 H53 125.9 . . ?
C59 C54 C55 118.2(5) . . ?
C59 C54 C53 116.9(5) . . ?
C55 C54 C53 125.0(5) . . ?
C56 C55 C54 120.5(5) . . ?
C56 C55 P4 122.1(4) . . ?
C54 C55 P4 117.4(4) . . ?
C57 C56 C55 118.3(5) . . ?
C57 C56 C60 117.2(5) . . ?
C55 C56 C60 124.5(5) . . ?
C58 C57 C56 121.4(6) . . ?
C58 C57 H57 119.3 . . ?
C56 C57 H57 119.3 . . ?
C59 C58 C57 120.5(5) . . ?
C59 C58 H58 119.7 . . ?
C57 C58 H58 119.7 . . ?
C58 C59 C54 121.0(5) . . ?
C58 C59 H59 119.5 . . ?
C54 C59 H59 119.5 . . ?
C56 C60 H60A 109.5 . . ?
C56 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C56 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C66 C61 C62 118.3(5) . . ?
C66 C61 C52 121.0(5) . . ?
C62 C61 C52 120.6(5) . . ?
C63 C62 C61 119.5(6) . . ?
C63 C62 H62 120.2 . . ?
C61 C62 H62 120.2 . . ?
C64 C63 C62 120.9(7) . . ?
C64 C63 H63 119.5 . . ?
C62 C63 H63 119.5 . . ?
C63 C64 C65 120.4(6) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C64 C65 C66 119.5(6) . . ?
C64 C65 H65 120.3 . . ?
C66 C65 H65 120.3 . . ?
C61 C66 C65 121.4(6) . . ?
C61 C66 H66 119.3 . . ?
C65 C66 H66 119.3 . . ?
C68 C67 C69 112.0(5) . . ?
C68 C67 P4 114.0(4) . . ?
C69 C67 P4 110.5(4) . . ?
C68 C67 H67 106.6 . . ?
C69 C67 H67 106.6 . . ?
P4 C67 H67 106.6 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C72 C70 C71 111.7(6) . . ?
C72 C70 P4 114.0(5) . . ?
C71 C70 P4 109.2(4) . . ?
C72 C70 H70 107.2 . . ?
C71 C70 H70 107.2 . . ?
P4 C70 H70 107.2 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
F5 P5 F1 93.6(4) . . ?
F5 P5 F3 92.0(4) . . ?
F1 P5 F3 92.2(4) . . ?
F5 P5 F2 176.3(4) . . ?
F1 P5 F2 89.2(4) . . ?
F3 P5 F2 90.3(3) . . ?
F5 P5 F4 88.6(4) . . ?
F1 P5 F4 176.8(4) . . ?
F3 P5 F4 90.0(3) . . ?
F2 P5 F4 88.5(3) . . ?
F5 P5 F6 90.1(4) . . ?
F1 P5 F6 89.8(4) . . ?
F3 P5 F6 176.9(4) . . ?
F2 P5 F6 87.4(3) . . ?
F4 P5 F6 87.8(3) . . ?
F7 P6 F11 94.1(5) . . ?
F7 P6 F12 91.9(4) . . ?
F11 P6 F12 91.3(4) . . ?
F7 P6 F9 90.6(4) . . ?
F11 P6 F9 91.7(4) . . ?
F12 P6 F9 176.0(4) . . ?
F7 P6 F8 87.1(4) . . ?
F11 P6 F8 178.8(5) . . ?
F12 P6 F8 89.0(3) . . ?
F9 P6 F8 88.0(3) . . ?
F7 P6 F10 174.9(5) . . ?
F11 P6 F10 90.6(5) . . ?
F12 P6 F10 90.1(4) . . ?
F9 P6 F10 87.1(4) . . ?
F8 P6 F10 88.2(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 C1 C2 C7 14.6(7) . . . . ?
Pt1 C1 C2 C3 -165.8(4) . . . . ?
C7 C2 C3 C4 0.2(8) . . . . ?
C1 C2 C3 C4 -179.5(5) . . . . ?
C2 C3 C4 C5 0.7(9) . . . . ?
C3 C4 C5 C6 -0.1(9) . . . . ?
C4 C5 C6 C7 -1.4(9) . . . . ?
C4 C5 C6 C8 179.0(6) . . . . ?
C3 C2 C7 C6 -1.7(8) . . . . ?
C1 C2 C7 C6 178.0(5) . . . . ?
C3 C2 C7 P1 178.0(4) . . . . ?
C1 C2 C7 P1 -2.4(7) . . . . ?
C5 C6 C7 C2 2.3(8) . . . . ?
C8 C6 C7 C2 -178.2(6) . . . . ?
C5 C6 C7 P1 -177.3(4) . . . . ?
C8 C6 C7 P1 2.3(9) . . . . ?
C12 P1 C7 C2 111.8(4) . . . . ?
C9 P1 C7 C2 -134.2(4) . . . . ?
Pt1 P1 C7 C2 -8.9(4) . . . . ?
C12 P1 C7 C6 -68.5(6) . . . . ?
C9 P1 C7 C6 45.4(6) . . . . ?
Pt1 P1 C7 C6 170.7(5) . . . . ?
C7 P1 C9 C10 43.3(5) . . . . ?
C12 P1 C9 C10 155.0(5) . . . . ?
Pt1 P1 C9 C10 -74.2(5) . . . . ?
C7 P1 C9 C11 165.8(4) . . . . ?
C12 P1 C9 C11 -82.6(5) . . . . ?
Pt1 P1 C9 C11 48.2(5) . . . . ?
C7 P1 C12 C14 173.6(5) . . . . ?
C9 P1 C12 C14 59.2(6) . . . . ?
Pt1 P1 C12 C14 -72.8(5) . . . . ?
C7 P1 C12 C13 -61.0(5) . . . . ?
C9 P1 C12 C13 -175.4(5) . . . . ?
Pt1 P1 C12 C13 52.6(5) . . . . ?
C19 P2 C15 C16 -30.7(5) . . . . ?
C34 P2 C15 C16 -154.6(4) . . . . ?
C31 P2 C15 C16 83.8(4) . . . . ?
C19 P2 C15 Pt1 48.1(3) . . . . ?
C34 P2 C15 Pt1 -75.8(3) . . . . ?
C31 P2 C15 Pt1 162.6(3) . . . . ?
P2 C15 C16 C17 43.3(6) . . . . ?
Pt1 C15 C16 C17 -64.0(4) . . . . ?
P2 C15 C16 C25 -142.3(4) . . . . ?
Pt1 C15 C16 C25 110.4(5) . . . . ?
P2 C15 C16 Pt1 107.3(3) . . . . ?
C15 C16 C17 C18 -32.7(8) . . . . ?
C25 C16 C17 C18 153.0(5) . . . . ?
Pt1 C16 C17 C18 -93.1(5) . . . . ?
C15 C16 C17 Pt1 60.4(4) . . . . ?
C25 C16 C17 Pt1 -113.9(5) . . . . ?
C16 C17 C18 C23 -168.2(5) . . . . ?
Pt1 C17 C18 C23 120.1(5) . . . . ?
C16 C17 C18 C19 8.4(9) . . . . ?
Pt1 C17 C18 C19 -63.3(6) . . . . ?
C23 C18 C19 C20 3.7(8) . . . . ?
C17 C18 C19 C20 -173.0(5) . . . . ?
C23 C18 C19 P2 178.2(4) . . . . ?
C17 C18 C19 P2 1.6(7) . . . . ?
C15 P2 C19 C20 -176.5(5) . . . . ?
C34 P2 C19 C20 -54.2(6) . . . . ?
C31 P2 C19 C20 68.1(6) . . . . ?
C15 P2 C19 C18 9.0(5) . . . . ?
C34 P2 C19 C18 131.3(4) . . . . ?
C31 P2 C19 C18 -106.4(5) . . . . ?
C18 C19 C20 C21 -3.3(9) . . . . ?
P2 C19 C20 C21 -177.6(5) . . . . ?
C18 C19 C20 C24 175.4(6) . . . . ?
P2 C19 C20 C24 1.1(9) . . . . ?
C19 C20 C21 C22 0.9(10) . . . . ?
C24 C20 C21 C22 -177.8(7) . . . . ?
C20 C21 C22 C23 1.0(11) . . . . ?
C21 C22 C23 C18 -0.5(10) . . . . ?
C19 C18 C23 C22 -1.8(9) . . . . ?
C17 C18 C23 C22 175.1(6) . . . . ?
C17 C16 C25 C26 -39.6(7) . . . . ?
C15 C16 C25 C26 146.2(5) . . . . ?
Pt1 C16 C25 C26 -131.3(5) . . . . ?
C17 C16 C25 C30 143.3(6) . . . . ?
C15 C16 C25 C30 -30.9(7) . . . . ?
Pt1 C16 C25 C30 51.5(6) . . . . ?
C30 C25 C26 C27 -0.1(9) . . . . ?
C16 C25 C26 C27 -177.4(5) . . . . ?
C25 C26 C27 C28 0.0(10) . . . . ?
C26 C27 C28 C29 0.1(10) . . . . ?
C27 C28 C29 C30 -0.1(10) . . . . ?
C28 C29 C30 C25 0.0(10) . . . . ?
C26 C25 C30 C29 0.1(9) . . . . ?
C16 C25 C30 C29 177.3(6) . . . . ?
C15 P2 C31 C32 -65.5(6) . . . . ?
C19 P2 C31 C32 48.7(6) . . . . ?
C34 P2 C31 C32 172.7(5) . . . . ?
C15 P2 C31 C33 58.9(5) . . . . ?
C19 P2 C31 C33 173.1(5) . . . . ?
C34 P2 C31 C33 -62.9(5) . . . . ?
C15 P2 C34 C35 -34.6(5) . . . . ?
C19 P2 C34 C35 -154.3(4) . . . . ?
C31 P2 C34 C35 85.5(5) . . . . ?
C15 P2 C34 C36 89.1(5) . . . . ?
C19 P2 C34 C36 -30.6(5) . . . . ?
C31 P2 C34 C36 -150.8(4) . . . . ?
Pt2 C37 C38 C39 172.1(4) . . . . ?
Pt2 C37 C38 C43 -5.0(7) . . . . ?
C43 C38 C39 C40 1.6(8) . . . . ?
C37 C38 C39 C40 -175.5(5) . . . . ?
C38 C39 C40 C41 -0.9(9) . . . . ?
C39 C40 C41 C42 0.8(10) . . . . ?
C40 C41 C42 C43 -1.4(9) . . . . ?
C40 C41 C42 C44 175.8(6) . . . . ?
C39 C38 C43 C42 -2.2(8) . . . . ?
C37 C38 C43 C42 174.9(5) . . . . ?
C39 C38 C43 P3 177.4(4) . . . . ?
C37 C38 C43 P3 -5.6(6) . . . . ?
C41 C42 C43 C38 2.0(8) . . . . ?
C44 C42 C43 C38 -174.8(6) . . . . ?
C41 C42 C43 P3 -177.4(5) . . . . ?
C44 C42 C43 P3 5.7(9) . . . . ?
C45 P3 C43 C38 141.1(4) . . . . ?
C48 P3 C43 C38 -103.4(4) . . . . ?
Pt2 P3 C43 C38 12.0(4) . . . . ?
C45 P3 C43 C42 -39.4(6) . . . . ?
C48 P3 C43 C42 76.1(6) . . . . ?
Pt2 P3 C43 C42 -168.5(5) . . . . ?
C43 P3 C45 C46 -67.5(6) . . . . ?
C48 P3 C45 C46 176.5(5) . . . . ?
Pt2 P3 C45 C46 53.4(6) . . . . ?
C43 P3 C45 C47 168.6(4) . . . . ?
C48 P3 C45 C47 52.6(5) . . . . ?
Pt2 P3 C45 C47 -70.5(5) . . . . ?
C43 P3 C48 C50 66.8(5) . . . . ?
C45 P3 C48 C50 -175.7(4) . . . . ?
Pt2 P3 C48 C50 -46.3(5) . . . . ?
C43 P3 C48 C49 -59.7(5) . . . . ?
C45 P3 C48 C49 57.8(5) . . . . ?
Pt2 P3 C48 C49 -172.8(4) . . . . ?
C55 P4 C51 C52 32.8(5) . . . . ?
C70 P4 C51 C52 -83.5(5) . . . . ?
C67 P4 C51 C52 157.4(4) . . . . ?
C55 P4 C51 Pt2 -45.9(3) . . . . ?
C70 P4 C51 Pt2 -162.2(3) . . . . ?
C67 P4 C51 Pt2 78.6(3) . . . . ?
P4 C51 C52 C53 -42.7(6) . . . . ?
Pt2 C51 C52 C53 60.6(4) . . . . ?
P4 C51 C52 C61 143.9(4) . . . . ?
Pt2 C51 C52 C61 -112.7(5) . . . . ?
P4 C51 C52 Pt2 -103.3(3) . . . . ?
C51 C52 C53 C54 28.7(7) . . . . ?
C61 C52 C53 C54 -158.0(5) . . . . ?
Pt2 C52 C53 C54 86.9(5) . . . . ?
C51 C52 C53 Pt2 -58.2(4) . . . . ?
C61 C52 C53 Pt2 115.1(5) . . . . ?
C52 C53 C54 C59 173.6(5) . . . . ?
Pt2 C53 C54 C59 -116.1(4) . . . . ?
C52 C53 C54 C55 -5.3(8) . . . . ?
Pt2 C53 C54 C55 65.0(5) . . . . ?
C59 C54 C55 C56 -3.6(8) . . . . ?
C53 C54 C55 C56 175.3(5) . . . . ?
C59 C54 C55 P4 179.2(4) . . . . ?
C53 C54 C55 P4 -1.9(7) . . . . ?
C51 P4 C55 C56 172.3(4) . . . . ?
C70 P4 C55 C56 -67.7(5) . . . . ?
C67 P4 C55 C56 50.9(5) . . . . ?
C51 P4 C55 C54 -10.6(5) . . . . ?
C70 P4 C55 C54 109.5(4) . . . . ?
C67 P4 C55 C54 -131.9(4) . . . . ?
C54 C55 C56 C57 5.3(8) . . . . ?
P4 C55 C56 C57 -177.6(4) . . . . ?
C54 C55 C56 C60 -172.7(5) . . . . ?
P4 C55 C56 C60 4.3(8) . . . . ?
C55 C56 C57 C58 -3.1(9) . . . . ?
C60 C56 C57 C58 175.1(6) . . . . ?
C56 C57 C58 C59 -0.9(9) . . . . ?
C57 C58 C59 C54 2.8(9) . . . . ?
C55 C54 C59 C58 -0.5(8) . . . . ?
C53 C54 C59 C58 -179.4(5) . . . . ?
C53 C52 C61 C66 -176.5(5) . . . . ?
C51 C52 C61 C66 -3.5(8) . . . . ?
Pt2 C52 C61 C66 -86.8(6) . . . . ?
C53 C52 C61 C62 7.0(8) . . . . ?
C51 C52 C61 C62 180.0(5) . . . . ?
Pt2 C52 C61 C62 96.6(6) . . . . ?
C66 C61 C62 C63 0.2(9) . . . . ?
C52 C61 C62 C63 176.8(6) . . . . ?
C61 C62 C63 C64 -0.4(10) . . . . ?
C62 C63 C64 C65 0.9(10) . . . . ?
C63 C64 C65 C66 -1.2(9) . . . . ?
C62 C61 C66 C65 -0.5(8) . . . . ?
C52 C61 C66 C65 -177.1(5) . . . . ?
C64 C65 C66 C61 1.0(9) . . . . ?
C51 P4 C67 C68 -94.4(5) . . . . ?
C55 P4 C67 C68 24.4(5) . . . . ?
C70 P4 C67 C68 143.0(4) . . . . ?
C51 P4 C67 C69 32.8(5) . . . . ?
C55 P4 C67 C69 151.6(4) . . . . ?
C70 P4 C67 C69 -89.8(5) . . . . ?
C51 P4 C70 C72 -69.6(6) . . . . ?
C55 P4 C70 C72 175.1(5) . . . . ?
C67 P4 C70 C72 51.3(5) . . . . ?
C51 P4 C70 C71 56.1(5) . . . . ?
C55 P4 C70 C71 -59.2(5) . . . . ?
C67 P4 C70 C71 177.1(5) . . . . ?

_refine_diff_density_max         2.501
_refine_diff_density_min         -1.912
_refine_diff_density_rms         0.143

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

data_3c
_database_code_depnum_ccdc_archive 'CCDC 2126371'
loop_
_audit_author_name
_audit_author_address
'Eleuterio Alvarez'
; Spanish National Research Council (CSIC) 
Spain
;
_audit_update_record             
;
2021-12-06 deposited with the CCDC.	2022-03-18 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H53 P2 Pt, B F4'
_chemical_formula_sum            'C34 H53 B F4 P2 Pt'
_chemical_formula_weight         805.60

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'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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. 
;

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

_cell_length_a                   11.8390(12)
_cell_length_b                   11.7018(10)
_cell_length_c                   24.993(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.286(5)
_cell_angle_gamma                90
_cell_volume                     3456.7(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9923
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      27.70

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_F_000             1624
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    4.195
_shelx_estimated_absorpt_T_min   0.487
_shelx_estimated_absorpt_T_max   0.679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8509
_exptl_absorpt_correction_T_max  0.9011
_exptl_absorpt_process_details   
;
program SADABS, Bruker (2001).
;
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
;
 Bruker-Nonius X8kappa APEX II CCD area detector
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_reflns_number            46412
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.550
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6241
_reflns_number_gt                5373
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0514P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6241
_refine_ls_number_parameters     390
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0286
_refine_ls_wR_factor_ref         0.0784
_refine_ls_wR_factor_gt          0.0747
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.14898(2) 0.19505(2) 0.45517(2) 0.02455(7) Uani 1 1 d . . . . .
P1 P -0.03330(9) 0.15608(9) 0.35200(4) 0.0268(2) Uani 1 1 d . . . . .
P2 P 0.26919(9) 0.29820(8) 0.50866(4) 0.0253(2) Uani 1 1 d . . . . .
C1 C 0.0560(4) 0.2618(3) 0.32391(15) 0.0278(8) Uani 1 1 d . . . . .
C2 C 0.1723(3) 0.2601(3) 0.33910(14) 0.0264(8) Uani 1 1 d . . . . .
C3 C 0.2421(4) 0.3434(3) 0.31787(16) 0.0332(9) Uani 1 1 d . . . . .
H3 H 0.320863 0.343516 0.327556 0.040 Uiso 1 1 calc R U . . .
C4 C 0.1974(4) 0.4250(3) 0.28313(16) 0.0381(10) Uani 1 1 d . . . . .
H4 H 0.245552 0.481961 0.269779 0.046 Uiso 1 1 calc R U . . .
C5 C 0.0850(4) 0.4253(3) 0.26753(16) 0.0389(11) Uani 1 1 d . . . . .
H5 H 0.056167 0.482589 0.243508 0.047 Uiso 1 1 calc R U . . .
C6 C 0.0118(4) 0.3431(3) 0.28626(16) 0.0327(9) Uani 1 1 d . . . . .
C7 C 0.2280(4) 0.1720(3) 0.37328(16) 0.0277(9) Uani 1 1 d . . . . .
H7 H 0.306143 0.181663 0.382995 0.033 Uiso 1 1 calc R U . . .
C8 C 0.1743(3) 0.0750(3) 0.39257(15) 0.0277(8) Uani 1 1 d . . . . .
C9 C 0.0543(3) 0.0814(3) 0.39958(15) 0.0276(8) Uani 1 1 d . . . . .
H9 H 0.022900 0.045707 0.429472 0.033 Uiso 1 1 calc R U . . .
C10 C 0.2400(4) -0.0312(3) 0.40904(16) 0.0353(10) Uani 1 1 d . . . . .
H10A H 0.201381 -0.070655 0.437885 0.042 Uiso 1 1 calc R U . . .
H10B H 0.316517 -0.009050 0.423474 0.042 Uiso 1 1 calc R U . . .
C11 C 0.2508(4) -0.1130(3) 0.36207(17) 0.0372(10) Uani 1 1 d . . . . .
H11A H 0.174087 -0.133042 0.347084 0.045 Uiso 1 1 calc R U . . .
H11B H 0.290789 -0.073674 0.333646 0.045 Uiso 1 1 calc R U . . .
C12 C 0.3135(5) -0.2216(4) 0.3774(2) 0.0434(12) Uani 1 1 d . . . . .
H12A H 0.392104 -0.202119 0.389757 0.052 Uiso 1 1 calc R U . . .
H12B H 0.276894 -0.258105 0.407619 0.052 Uiso 1 1 calc R U . . .
C13 C 0.3164(7) -0.3056(4) 0.3319(2) 0.0661(18) Uani 1 1 d . . . . .
H13A H 0.238967 -0.327460 0.320252 0.099 Uiso 1 1 calc R U . . .
H13B H 0.358897 -0.373676 0.343881 0.099 Uiso 1 1 calc R U . . .
H13C H 0.353291 -0.270312 0.301885 0.099 Uiso 1 1 calc R U . . .
C14 C -0.1089(4) 0.3442(4) 0.26350(19) 0.0452(12) Uani 1 1 d . . . . .
H14A H -0.128850 0.421516 0.251175 0.068 Uiso 1 1 calc R U . . .
H14B H -0.159331 0.320933 0.291268 0.068 Uiso 1 1 calc R U . . .
H14C H -0.116876 0.290983 0.233257 0.068 Uiso 1 1 calc R U . . .
C15 C -0.1555(4) 0.2183(4) 0.38301(19) 0.0405(11) Uani 1 1 d . . . . .
H15 H -0.218095 0.224960 0.354562 0.049 Uiso 1 1 calc R U . . .
C16 C -0.1305(5) 0.3383(4) 0.4047(2) 0.0498(12) Uani 1 1 d . . . . .
H16A H -0.197395 0.368254 0.421315 0.075 Uiso 1 1 calc R U . . .
H16B H -0.111137 0.388561 0.375226 0.075 Uiso 1 1 calc R U . . .
H16C H -0.066787 0.335117 0.431512 0.075 Uiso 1 1 calc R U . . .
C17 C -0.1968(4) 0.1395(5) 0.4268(2) 0.0541(13) Uani 1 1 d . . . . .
H17A H -0.136676 0.130168 0.455054 0.081 Uiso 1 1 calc R U . . .
H17B H -0.216653 0.064750 0.411272 0.081 Uiso 1 1 calc R U . . .
H17C H -0.263590 0.173226 0.442056 0.081 Uiso 1 1 calc R U . . .
C18 C -0.0855(4) 0.0589(3) 0.29816(17) 0.0365(10) Uani 1 1 d . . . . .
H18 H -0.135932 0.104218 0.272644 0.044 Uiso 1 1 calc R U . . .
C19 C 0.0127(5) 0.0153(4) 0.26747(19) 0.0521(13) Uani 1 1 d . . . . .
H19A H 0.063222 -0.030289 0.291406 0.078 Uiso 1 1 calc R U . . .
H19B H 0.054484 0.080306 0.253729 0.078 Uiso 1 1 calc R U . . .
H19C H -0.016315 -0.032153 0.237434 0.078 Uiso 1 1 calc R U . . .
C20 C -0.1557(5) -0.0398(4) 0.3192(2) 0.0601(15) Uani 1 1 d . . . . .
H20A H -0.171242 -0.095530 0.290395 0.090 Uiso 1 1 calc R U . . .
H20B H -0.227257 -0.010090 0.331278 0.090 Uiso 1 1 calc R U . . .
H20C H -0.113380 -0.076946 0.349199 0.090 Uiso 1 1 calc R U . . .
C21 C 0.1986(4) 0.3160(3) 0.57114(16) 0.0311(9) Uani 1 1 d . . . . .
C22 C 0.0881(4) 0.2729(4) 0.56732(16) 0.0329(9) Uani 1 1 d . . . . .
C23 C 0.0205(4) 0.2863(4) 0.61069(19) 0.0429(11) Uani 1 1 d . . . . .
H23 H -0.055728 0.260429 0.607896 0.051 Uiso 1 1 calc R U . . .
C24 C 0.0625(5) 0.3365(4) 0.6576(2) 0.0519(13) Uani 1 1 d . . . . .
H24 H 0.016019 0.344081 0.687180 0.062 Uiso 1 1 calc R U . . .
C25 C 0.1725(5) 0.3755(4) 0.66139(17) 0.0446(12) Uani 1 1 d . . . . .
H25 H 0.201199 0.408375 0.694160 0.054 Uiso 1 1 calc R U . . .
C26 C 0.2428(4) 0.3684(4) 0.61897(16) 0.0370(10) Uani 1 1 d . . . . .
C27 C 0.0434(4) 0.2117(4) 0.51815(18) 0.0390(11) Uani 1 1 d . . . . .
H27A H -0.026010 0.251772 0.504434 0.047 Uiso 1 1 calc R U . . .
H27B H 0.020568 0.134041 0.528934 0.047 Uiso 1 1 calc R U . . .
C28 C 0.3614(5) 0.4140(4) 0.62759(18) 0.0515(13) Uani 1 1 d . . . . .
H28A H 0.361747 0.478296 0.652729 0.077 Uiso 1 1 calc R U . . .
H28B H 0.388447 0.439964 0.593300 0.077 Uiso 1 1 calc R U . . .
H28C H 0.411196 0.353475 0.642338 0.077 Uiso 1 1 calc R U . . .
C29 C 0.2912(4) 0.4471(3) 0.48610(17) 0.0368(10) Uani 1 1 d . . . . .
H29 H 0.316585 0.492236 0.518573 0.044 Uiso 1 1 calc R U . . .
C30 C 0.1802(4) 0.4961(4) 0.4658(2) 0.0506(12) Uani 1 1 d . . . . .
H30A H 0.189373 0.577584 0.458186 0.076 Uiso 1 1 calc R U . . .
H30B H 0.124498 0.486405 0.492980 0.076 Uiso 1 1 calc R U . . .
H30C H 0.153891 0.456270 0.432886 0.076 Uiso 1 1 calc R U . . .
C31 C 0.3806(5) 0.4610(4) 0.4462(2) 0.0535(13) Uani 1 1 d . . . . .
H31A H 0.361201 0.414088 0.414549 0.080 Uiso 1 1 calc R U . . .
H31B H 0.453926 0.436536 0.462528 0.080 Uiso 1 1 calc R U . . .
H31C H 0.385025 0.541438 0.435638 0.080 Uiso 1 1 calc R U . . .
C32 C 0.4073(4) 0.2288(4) 0.52602(17) 0.0324(9) Uani 1 1 d . . . . .
H32 H 0.456239 0.284782 0.546803 0.039 Uiso 1 1 calc R U . . .
C33 C 0.3866(4) 0.1265(4) 0.5623(2) 0.0502(12) Uani 1 1 d . . . . .
H33A H 0.333408 0.073667 0.543742 0.075 Uiso 1 1 calc R U . . .
H33B H 0.354790 0.153186 0.595427 0.075 Uiso 1 1 calc R U . . .
H33C H 0.458363 0.087087 0.570979 0.075 Uiso 1 1 calc R U . . .
C34 C 0.4697(4) 0.1901(4) 0.4782(2) 0.0468(12) Uani 1 1 d . . . . .
H34A H 0.540564 0.152795 0.490552 0.070 Uiso 1 1 calc R U . . .
H34B H 0.486396 0.256376 0.456038 0.070 Uiso 1 1 calc R U . . .
H34C H 0.422543 0.135914 0.456976 0.070 Uiso 1 1 calc R U . . .
F1 F 0.4554(3) 0.1983(3) 0.28164(15) 0.0744(10) Uani 1 1 d . U . . .
F2 F 0.5572(5) 0.2866(3) 0.3472(2) 0.1143(17) Uani 1 1 d . U . . .
F3 F 0.6407(3) 0.1670(5) 0.29065(17) 0.1170(17) Uani 1 1 d . U . . .
F4 F 0.5326(6) 0.1047(4) 0.3508(2) 0.1367(19) Uani 1 1 d . U . . .
B1 B 0.5467(5) 0.1934(5) 0.3169(2) 0.0469(14) Uani 1 1 d . . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C27 2.075(4) . ?
Pt1 C8 2.136(4) . ?
Pt1 C9 2.186(4) . ?
Pt1 P2 2.2476(10) . ?
Pt1 C7 2.314(4) . ?
P1 C9 1.765(4) . ?
P1 C1 1.796(4) . ?
P1 C15 1.831(5) . ?
P1 C18 1.841(4) . ?
P2 C21 1.824(4) . ?
P2 C32 1.854(4) . ?
P2 C29 1.854(4) . ?
C1 C2 1.408(6) . ?
C1 C6 1.417(6) . ?
C2 C3 1.401(6) . ?
C2 C7 1.470(5) . ?
C3 C4 1.376(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.365(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(6) . ?
C5 H5 0.9500 . ?
C6 C14 1.507(6) . ?
C7 C8 1.400(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.443(6) . ?
C8 C10 1.511(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.526(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.510(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.504(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.529(6) . ?
C15 C17 1.532(7) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.517(7) . ?
C18 C20 1.533(6) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.400(6) . ?
C21 C26 1.417(6) . ?
C22 C23 1.393(6) . ?
C22 C27 1.493(6) . ?
C23 C24 1.380(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.378(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(6) . ?
C25 H25 0.9500 . ?
C26 C28 1.506(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.496(7) . ?
C29 C31 1.504(6) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C34 1.510(6) . ?
C32 C33 1.530(6) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
F1 B1 1.356(7) . ?
F2 B1 1.329(6) . ?
F3 B1 1.360(7) . ?
F4 B1 1.355(7) . ?

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
C27 Pt1 C8 137.17(17) . . ?
C27 Pt1 C9 103.31(16) . . ?
C8 Pt1 C9 38.99(15) . . ?
C27 Pt1 P2 83.50(13) . . ?
C8 Pt1 P2 132.69(11) . . ?
C9 Pt1 P2 171.51(11) . . ?
C27 Pt1 C7 166.80(17) . . ?
C8 Pt1 C7 36.39(14) . . ?
C9 Pt1 C7 65.50(14) . . ?
P2 Pt1 C7 108.33(11) . . ?
C9 P1 C1 105.56(19) . . ?
C9 P1 C15 111.1(2) . . ?
C1 P1 C15 112.9(2) . . ?
C9 P1 C18 110.27(19) . . ?
C1 P1 C18 108.66(19) . . ?
C15 P1 C18 108.3(2) . . ?
C21 P2 C32 106.89(19) . . ?
C21 P2 C29 103.43(18) . . ?
C32 P2 C29 110.2(2) . . ?
C21 P2 Pt1 105.36(15) . . ?
C32 P2 Pt1 115.07(14) . . ?
C29 P2 Pt1 114.77(14) . . ?
C2 C1 C6 120.4(4) . . ?
C2 C1 P1 118.3(3) . . ?
C6 C1 P1 121.3(3) . . ?
C3 C2 C1 118.5(4) . . ?
C3 C2 C7 117.0(4) . . ?
C1 C2 C7 124.4(4) . . ?
C4 C3 C2 120.5(4) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 121.0(4) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 121.1(4) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 118.3(4) . . ?
C5 C6 C14 117.5(4) . . ?
C1 C6 C14 124.2(4) . . ?
C8 C7 C2 124.9(4) . . ?
C8 C7 Pt1 64.9(2) . . ?
C2 C7 Pt1 104.0(3) . . ?
C8 C7 H7 117.6 . . ?
C2 C7 H7 117.6 . . ?
Pt1 C7 H7 101.4 . . ?
C7 C8 C9 118.0(3) . . ?
C7 C8 C10 121.6(4) . . ?
C9 C8 C10 120.3(4) . . ?
C7 C8 Pt1 78.7(2) . . ?
C9 C8 Pt1 72.3(2) . . ?
C10 C8 Pt1 115.7(2) . . ?
C8 C9 P1 119.2(3) . . ?
C8 C9 Pt1 68.7(2) . . ?
P1 C9 Pt1 112.76(18) . . ?
C8 C9 H9 120.4 . . ?
P1 C9 H9 120.4 . . ?
Pt1 C9 H9 88.7 . . ?
C8 C10 C11 111.8(3) . . ?
C8 C10 H10A 109.3 . . ?
C11 C10 H10A 109.3 . . ?
C8 C10 H10B 109.3 . . ?
C11 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
C12 C11 C10 113.3(4) . . ?
C12 C11 H11A 108.9 . . ?
C10 C11 H11A 108.9 . . ?
C12 C11 H11B 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C13 C12 C11 113.0(4) . . ?
C13 C12 H12A 109.0 . . ?
C11 C12 H12A 109.0 . . ?
C13 C12 H12B 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C17 111.3(4) . . ?
C16 C15 P1 111.9(3) . . ?
C17 C15 P1 110.8(3) . . ?
C16 C15 H15 107.5 . . ?
C17 C15 H15 107.5 . . ?
P1 C15 H15 107.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C20 111.4(4) . . ?
C19 C18 P1 110.0(3) . . ?
C20 C18 P1 112.4(3) . . ?
C19 C18 H18 107.6 . . ?
C20 C18 H18 107.6 . . ?
P1 C18 H18 107.6 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 120.8(4) . . ?
C22 C21 P2 111.9(3) . . ?
C26 C21 P2 127.3(4) . . ?
C23 C22 C21 118.9(4) . . ?
C23 C22 C27 120.1(4) . . ?
C21 C22 C27 121.0(4) . . ?
C24 C23 C22 120.9(5) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C25 C24 C23 119.5(4) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 C26 122.3(4) . . ?
C24 C25 H25 118.8 . . ?
C26 C25 H25 118.8 . . ?
C25 C26 C21 117.5(4) . . ?
C25 C26 C28 117.7(4) . . ?
C21 C26 C28 124.8(4) . . ?
C22 C27 Pt1 118.0(3) . . ?
C22 C27 H27A 107.8 . . ?
Pt1 C27 H27A 107.8 . . ?
C22 C27 H27B 107.8 . . ?
Pt1 C27 H27B 107.8 . . ?
H27A C27 H27B 107.2 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C31 111.8(4) . . ?
C30 C29 P2 109.1(3) . . ?
C31 C29 P2 114.8(3) . . ?
C30 C29 H29 106.9 . . ?
C31 C29 H29 106.9 . . ?
P2 C29 H29 106.9 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C34 C32 C33 109.6(4) . . ?
C34 C32 P2 114.3(3) . . ?
C33 C32 P2 108.2(3) . . ?
C34 C32 H32 108.2 . . ?
C33 C32 H32 108.2 . . ?
P2 C32 H32 108.2 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
F2 B1 F4 106.5(5) . . ?
F2 B1 F1 112.4(5) . . ?
F4 B1 F1 108.4(5) . . ?
F2 B1 F3 114.1(6) . . ?
F4 B1 F3 105.1(5) . . ?
F1 B1 F3 109.9(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 P1 C1 C2 5.8(4) . . . . ?
C15 P1 C1 C2 127.3(3) . . . . ?
C18 P1 C1 C2 -112.5(3) . . . . ?
C9 P1 C1 C6 -176.0(3) . . . . ?
C15 P1 C1 C6 -54.4(4) . . . . ?
C18 P1 C1 C6 65.8(4) . . . . ?
C6 C1 C2 C3 2.6(6) . . . . ?
P1 C1 C2 C3 -179.1(3) . . . . ?
C6 C1 C2 C7 -173.2(4) . . . . ?
P1 C1 C2 C7 5.0(5) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
C7 C2 C3 C4 176.4(4) . . . . ?
C2 C3 C4 C5 -1.5(6) . . . . ?
C3 C4 C5 C6 0.0(6) . . . . ?
C4 C5 C6 C1 2.8(6) . . . . ?
C4 C5 C6 C14 -175.1(4) . . . . ?
C2 C1 C6 C5 -4.1(6) . . . . ?
P1 C1 C6 C5 177.7(3) . . . . ?
C2 C1 C6 C14 173.7(4) . . . . ?
P1 C1 C6 C14 -4.5(6) . . . . ?
C3 C2 C7 C8 -171.9(4) . . . . ?
C1 C2 C7 C8 4.0(6) . . . . ?
C3 C2 C7 Pt1 119.1(3) . . . . ?
C1 C2 C7 Pt1 -65.0(4) . . . . ?
C2 C7 C8 C9 -27.1(6) . . . . ?
Pt1 C7 C8 C9 62.9(3) . . . . ?
C2 C7 C8 C10 156.7(4) . . . . ?
Pt1 C7 C8 C10 -113.3(3) . . . . ?
C2 C7 C8 Pt1 -89.9(4) . . . . ?
C7 C8 C9 P1 38.6(5) . . . . ?
C10 C8 C9 P1 -145.2(3) . . . . ?
Pt1 C8 C9 P1 104.9(3) . . . . ?
C7 C8 C9 Pt1 -66.3(3) . . . . ?
C10 C8 C9 Pt1 109.9(3) . . . . ?
C1 P1 C9 C8 -27.1(3) . . . . ?
C15 P1 C9 C8 -149.8(3) . . . . ?
C18 P1 C9 C8 90.1(3) . . . . ?
C1 P1 C9 Pt1 50.4(2) . . . . ?
C15 P1 C9 Pt1 -72.3(3) . . . . ?
C18 P1 C9 Pt1 167.6(2) . . . . ?
C7 C8 C10 C11 -89.3(5) . . . . ?
C9 C8 C10 C11 94.6(5) . . . . ?
Pt1 C8 C10 C11 178.4(3) . . . . ?
C8 C10 C11 C12 -178.6(4) . . . . ?
C10 C11 C12 C13 175.8(5) . . . . ?
C9 P1 C15 C16 89.1(4) . . . . ?
C1 P1 C15 C16 -29.2(4) . . . . ?
C18 P1 C15 C16 -149.6(3) . . . . ?
C9 P1 C15 C17 -35.7(4) . . . . ?
C1 P1 C15 C17 -154.1(3) . . . . ?
C18 P1 C15 C17 85.6(4) . . . . ?
C9 P1 C18 C19 -64.3(4) . . . . ?
C1 P1 C18 C19 51.0(4) . . . . ?
C15 P1 C18 C19 173.9(3) . . . . ?
C9 P1 C18 C20 60.5(4) . . . . ?
C1 P1 C18 C20 175.8(3) . . . . ?
C15 P1 C18 C20 -61.3(4) . . . . ?
C32 P2 C21 C22 -128.9(3) . . . . ?
C29 P2 C21 C22 114.7(3) . . . . ?
Pt1 P2 C21 C22 -6.1(3) . . . . ?
C32 P2 C21 C26 52.6(4) . . . . ?
C29 P2 C21 C26 -63.7(4) . . . . ?
Pt1 P2 C21 C26 175.5(3) . . . . ?
C26 C21 C22 C23 2.4(6) . . . . ?
P2 C21 C22 C23 -176.2(3) . . . . ?
C26 C21 C22 C27 -176.5(4) . . . . ?
P2 C21 C22 C27 5.0(5) . . . . ?
C21 C22 C23 C24 -2.8(7) . . . . ?
C27 C22 C23 C24 176.1(4) . . . . ?
C22 C23 C24 C25 1.0(7) . . . . ?
C23 C24 C25 C26 1.4(7) . . . . ?
C24 C25 C26 C21 -1.8(7) . . . . ?
C24 C25 C26 C28 179.9(4) . . . . ?
C22 C21 C26 C25 -0.2(6) . . . . ?
P2 C21 C26 C25 178.1(3) . . . . ?
C22 C21 C26 C28 178.1(4) . . . . ?
P2 C21 C26 C28 -3.6(6) . . . . ?
C23 C22 C27 Pt1 -180.0(3) . . . . ?
C21 C22 C27 Pt1 -1.1(6) . . . . ?
C21 P2 C29 C30 -73.2(4) . . . . ?
C32 P2 C29 C30 172.9(3) . . . . ?
Pt1 P2 C29 C30 41.0(4) . . . . ?
C21 P2 C29 C31 160.4(3) . . . . ?
C32 P2 C29 C31 46.4(4) . . . . ?
Pt1 P2 C29 C31 -85.4(4) . . . . ?
C21 P2 C32 C34 170.7(3) . . . . ?
C29 P2 C32 C34 -77.6(4) . . . . ?
Pt1 P2 C32 C34 54.1(4) . . . . ?
C21 P2 C32 C33 48.3(4) . . . . ?
C29 P2 C32 C33 160.0(3) . . . . ?
Pt1 P2 C32 C33 -68.3(3) . . . . ?

_refine_diff_density_max         1.480
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.113

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

data_3b
_database_code_depnum_ccdc_archive 'CCDC 2126370'
loop_
_audit_author_name
_audit_author_address
'Eleuterio Alvarez'
; Spanish National Research Council (CSIC) 
Spain
;
_audit_update_record             
;
2021-12-06 deposited with the CCDC.	2022-03-18 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H53 P2 Pt, B F4, C H2 Cl2'
_chemical_formula_sum            'C35 H55 B Cl2 F4 P2 Pt'
_chemical_formula_weight         890.53

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'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6490(13)
_cell_length_b                   12.4817(13)
_cell_length_c                   14.4148(15)
_cell_angle_alpha                80.709(5)
_cell_angle_beta                 86.185(5)
_cell_angle_gamma                68.498(4)
_cell_volume                     1924.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9921
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      29.24

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_F_000             896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    3.910
_shelx_estimated_absorpt_T_min   0.441
_shelx_estimated_absorpt_T_max   0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5324
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;
program SADABS, Bruker (2001).
;
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
;
 Bruker-Nonius X8kappa APEX II CCD area detector
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_reflns_number            27700
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.066
_diffrn_reflns_theta_max         25.248
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6948
_reflns_number_gt                6511
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0304P)²+0.8088P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6948
_refine_ls_number_parameters     419
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0202
_refine_ls_wR_factor_ref         0.0518
_refine_ls_wR_factor_gt          0.0510
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.142
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.66898(2) 0.12217(2) 0.66993(2) 0.02302(4) Uani 1 1 d . . . . .
P1 P 0.68597(6) -0.13269(6) 0.78099(5) 0.02576(15) Uani 1 1 d . . . . .
P2 P 0.76457(7) 0.25273(6) 0.63789(5) 0.02463(15) Uani 1 1 d . . . . .
C1 C 0.7422(3) -0.0820(2) 0.87142(19) 0.0256(6) Uani 1 1 d . . . . .
C2 C 0.6912(2) 0.0385(2) 0.87735(18) 0.0239(6) Uani 1 1 d . . . . .
C3 C 0.7378(3) 0.0804(2) 0.94436(19) 0.0299(6) Uani 1 1 d . . . . .
H3 H 0.705503 0.161362 0.948237 0.036 Uiso 1 1 calc R U . . .
C4 C 0.8296(3) 0.0069(3) 1.0051(2) 0.0363(7) Uani 1 1 d . . . . .
H4 H 0.861533 0.037544 1.049236 0.044 Uiso 1 1 calc R U . . .
C5 C 0.8754(3) -0.1118(3) 1.0018(2) 0.0377(7) Uani 1 1 d . . . . .
H5 H 0.937456 -0.162183 1.044714 0.045 Uiso 1 1 calc R U . . .
C6 C 0.8319(3) -0.1582(2) 0.9367(2) 0.0329(6) Uani 1 1 d . . . . .
C7 C 0.5886(2) 0.1235(2) 0.81874(19) 0.0255(6) Uani 1 1 d . . . . .
H7 H 0.551204 0.190445 0.848977 0.031 Uiso 1 1 d R U . . .
C8 C 0.5196(2) 0.0965(2) 0.7564(2) 0.0268(6) Uani 1 1 d . . . . .
C9 C 0.5817(3) -0.0057(2) 0.7129(2) 0.0282(6) Uani 1 1 d . . . . .
H9 H 0.538429 -0.027352 0.670093 0.034 Uiso 1 1 d R U . . .
C10 C 0.3861(3) 0.1746(3) 0.7293(2) 0.0366(7) Uani 1 1 d . . . . .
C11 C 0.3663(4) 0.1953(4) 0.6243(3) 0.0742(14) Uani 1 1 d . . . . .
H11A H 0.421211 0.233678 0.592683 0.111 Uiso 1 1 calc R U . . .
H11B H 0.280369 0.245120 0.610278 0.111 Uiso 1 1 calc R U . . .
H11C H 0.384669 0.120649 0.601989 0.111 Uiso 1 1 calc R U . . .
C12 C 0.3475(3) 0.2921(3) 0.7632(4) 0.0644(12) Uani 1 1 d . . . . .
H12A H 0.403835 0.331594 0.737019 0.097 Uiso 1 1 calc R U . . .
H12B H 0.350586 0.280589 0.832041 0.097 Uiso 1 1 calc R U . . .
H12C H 0.263243 0.339827 0.742553 0.097 Uiso 1 1 calc R U . . .
C13 C 0.3027(3) 0.1122(4) 0.7792(4) 0.0733(14) Uani 1 1 d . . . . .
H13A H 0.216105 0.162088 0.768068 0.110 Uiso 1 1 calc R U . . .
H13B H 0.318852 0.095648 0.846913 0.110 Uiso 1 1 calc R U . . .
H13C H 0.319932 0.039068 0.754678 0.110 Uiso 1 1 calc R U . . .
C14 C 0.8810(4) -0.2888(3) 0.9415(3) 0.0494(9) Uani 1 1 d . . . . .
H14A H 0.942034 -0.324086 0.991795 0.074 Uiso 1 1 calc R U . . .
H14B H 0.920020 -0.309718 0.881348 0.074 Uiso 1 1 calc R U . . .
H14C H 0.812904 -0.317561 0.954553 0.074 Uiso 1 1 calc R U . . .
C15 C 0.6058(3) -0.2283(3) 0.8371(2) 0.0383(7) Uani 1 1 d . . . . .
H15 H 0.670293 -0.303654 0.863716 0.046 Uiso 1 1 calc R U . . .
C16 C 0.5263(4) -0.1772(4) 0.9191(3) 0.0681(13) Uani 1 1 d . . . . .
H16A H 0.465815 -0.100224 0.896191 0.102 Uiso 1 1 calc R U . . .
H16B H 0.578903 -0.169755 0.966128 0.102 Uiso 1 1 calc R U . . .
H16C H 0.483090 -0.228666 0.947704 0.102 Uiso 1 1 calc R U . . .
C17 C 0.5311(5) -0.2555(4) 0.7680(4) 0.0859(16) Uani 1 1 d . . . . .
H17A H 0.492008 -0.308475 0.801049 0.129 Uiso 1 1 calc R U . . .
H17B H 0.585699 -0.292486 0.718373 0.129 Uiso 1 1 calc R U . . .
H17C H 0.467280 -0.183217 0.740000 0.129 Uiso 1 1 calc R U . . .
C18 C 0.8106(3) -0.2160(3) 0.7077(2) 0.0347(7) Uani 1 1 d . . . . .
H18 H 0.842874 -0.298323 0.739990 0.042 Uiso 1 1 calc R U . . .
C19 C 0.9175(3) -0.1718(3) 0.6978(2) 0.0459(8) Uani 1 1 d . . . . .
H19A H 0.981876 -0.217752 0.657633 0.069 Uiso 1 1 calc R U . . .
H19B H 0.951438 -0.179674 0.759972 0.069 Uiso 1 1 calc R U . . .
H19C H 0.887729 -0.089781 0.669361 0.069 Uiso 1 1 calc R U . . .
C20 C 0.7635(4) -0.2168(3) 0.6111(2) 0.0521(9) Uani 1 1 d . . . . .
H20A H 0.735798 -0.137729 0.576080 0.078 Uiso 1 1 calc R U . . .
H20B H 0.694386 -0.244512 0.619351 0.078 Uiso 1 1 calc R U . . .
H20C H 0.830219 -0.268629 0.576230 0.078 Uiso 1 1 calc R U . . .
C21 C 0.7675(3) 0.2810(3) 0.5097(2) 0.0313(6) Uani 1 1 d . . . . .
C22 C 0.7374(3) 0.1992(3) 0.4706(2) 0.0327(7) Uani 1 1 d . . . . .
C23 C 0.7284(3) 0.2117(3) 0.3734(2) 0.0432(8) Uani 1 1 d . . . . .
H23 H 0.707314 0.157282 0.345857 0.052 Uiso 1 1 calc R U . . .
C24 C 0.7497(3) 0.3025(3) 0.3172(2) 0.0509(10) Uani 1 1 d . . . . .
H24 H 0.739626 0.312506 0.251079 0.061 Uiso 1 1 calc R U . . .
C25 C 0.7855(3) 0.3789(3) 0.3555(2) 0.0453(9) Uani 1 1 d . . . . .
H25 H 0.802234 0.439689 0.315209 0.054 Uiso 1 1 calc R U . . .
C26 C 0.7977(3) 0.3694(3) 0.4521(2) 0.0369(7) Uani 1 1 d . . . . .
C27 C 0.7225(3) 0.0954(3) 0.5329(2) 0.0360(7) Uani 1 1 d . . . . .
H27A H 0.801824 0.028750 0.534190 0.043 Uiso 1 1 calc R U . . .
H27B H 0.660294 0.073817 0.504619 0.043 Uiso 1 1 calc R U . . .
C28 C 0.8430(4) 0.4534(3) 0.4887(3) 0.0524(9) Uani 1 1 d . . . . .
H28A H 0.883695 0.488634 0.437741 0.079 Uiso 1 1 calc R U . . .
H28B H 0.901898 0.411528 0.539560 0.079 Uiso 1 1 calc R U . . .
H28C H 0.772909 0.514559 0.512769 0.079 Uiso 1 1 calc R U . . .
C29 C 0.6913(3) 0.3957(2) 0.6793(2) 0.0318(6) Uani 1 1 d . . . . .
H29 H 0.748409 0.439558 0.663515 0.038 Uiso 1 1 calc R U . . .
C30 C 0.5705(3) 0.4657(3) 0.6268(3) 0.0483(9) Uani 1 1 d . . . . .
H30A H 0.515732 0.421035 0.635990 0.073 Uiso 1 1 calc R U . . .
H30B H 0.588044 0.481256 0.559581 0.073 Uiso 1 1 calc R U . . .
H30C H 0.530269 0.539618 0.651208 0.073 Uiso 1 1 calc R U . . .
C31 C 0.6709(3) 0.3833(3) 0.7857(2) 0.0411(8) Uani 1 1 d . . . . .
H31A H 0.639108 0.460626 0.805300 0.062 Uiso 1 1 calc R U . . .
H31B H 0.749338 0.336602 0.817206 0.062 Uiso 1 1 calc R U . . .
H31C H 0.611179 0.344789 0.802775 0.062 Uiso 1 1 calc R U . . .
C32 C 0.9279(3) 0.1953(3) 0.6760(2) 0.0299(6) Uani 1 1 d . . . . .
H32 H 0.952854 0.263205 0.679102 0.036 Uiso 1 1 calc R U . . .
C33 C 1.0129(3) 0.1233(3) 0.6046(2) 0.0437(8) Uani 1 1 d . . . . .
H33A H 1.098064 0.092104 0.627035 0.066 Uiso 1 1 calc R U . . .
H33B H 1.007897 0.173016 0.543816 0.066 Uiso 1 1 calc R U . . .
H33C H 0.986823 0.058859 0.597275 0.066 Uiso 1 1 calc R U . . .
C34 C 0.9456(3) 0.1224(3) 0.7734(2) 0.0377(7) Uani 1 1 d . . . . .
H34A H 0.923676 0.054008 0.771798 0.057 Uiso 1 1 calc R U . . .
H34B H 0.892484 0.169245 0.818891 0.057 Uiso 1 1 calc R U . . .
H34C H 1.032032 0.096992 0.791951 0.057 Uiso 1 1 calc R U . . .
F1 F -0.0524(2) 0.4981(2) 0.18139(18) 0.0641(6) Uani 1 1 d . U . . .
F2 F -0.0019(3) 0.6590(2) 0.1690(2) 0.0809(8) Uani 1 1 d . U . . .
F3 F 0.1438(2) 0.4850(2) 0.1838(2) 0.0810(8) Uani 1 1 d . U . . .
F4 F 0.0194(3) 0.5412(3) 0.30377(18) 0.1012(10) Uani 1 1 d . U . . .
B1 B 0.0246(3) 0.5472(3) 0.2098(2) 0.0331(7) Uani 1 1 d . . . . .
Cl1 Cl 0.79921(13) 0.29165(9) 0.05427(8) 0.0727(3) Uani 1 1 d . U . . .
Cl2 Cl 0.62550(13) 0.52533(14) 0.05017(13) 0.1070(5) Uani 1 1 d . U . . .
C35 C 0.7792(4) 0.4391(3) 0.0386(3) 0.0571(10) Uani 1 1 d . . . . .
H35A H 0.828468 0.452617 0.085768 0.069 Uiso 1 1 calc R U . . .
H35B H 0.809609 0.461148 -0.024615 0.069 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C27 2.074(3) . ?
Pt1 C8 2.162(3) . ?
Pt1 C9 2.180(3) . ?
Pt1 P2 2.2644(7) . ?
Pt1 C7 2.283(3) . ?
P1 C9 1.788(3) . ?
P1 C1 1.792(3) . ?
P1 C18 1.830(3) . ?
P1 C15 1.832(3) . ?
P2 C21 1.824(3) . ?
P2 C29 1.852(3) . ?
P2 C32 1.857(3) . ?
C1 C6 1.412(4) . ?
C1 C2 1.415(4) . ?
C2 C3 1.394(4) . ?
C2 C7 1.478(4) . ?
C3 C4 1.378(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(4) . ?
C5 H5 0.9500 . ?
C6 C14 1.509(4) . ?
C7 C8 1.400(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.438(4) . ?
C8 C10 1.539(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.512(5) . ?
C10 C12 1.520(5) . ?
C10 C13 1.532(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C17 1.519(5) . ?
C15 C16 1.525(5) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.525(5) . ?
C18 C20 1.533(5) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.400(4) . ?
C21 C26 1.408(4) . ?
C22 C23 1.390(4) . ?
C22 C27 1.512(4) . ?
C23 C24 1.374(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.371(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(5) . ?
C25 H25 0.9500 . ?
C26 C28 1.510(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C31 1.527(4) . ?
C29 C30 1.532(4) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C34 1.526(4) . ?
C32 C33 1.536(4) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
F1 B1 1.373(4) . ?
F2 B1 1.353(4) . ?
F3 B1 1.380(4) . ?
F4 B1 1.343(4) . ?
Cl1 C35 1.746(4) . ?
Cl2 C35 1.731(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?

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
C27 Pt1 C8 131.73(12) . . ?
C27 Pt1 C9 101.85(12) . . ?
C8 Pt1 C9 38.67(11) . . ?
C27 Pt1 P2 82.21(9) . . ?
C8 Pt1 P2 139.21(8) . . ?
C9 Pt1 P2 175.23(8) . . ?
C27 Pt1 C7 167.28(11) . . ?
C8 Pt1 C7 36.58(10) . . ?
C9 Pt1 C7 65.54(10) . . ?
P2 Pt1 C7 110.46(7) . . ?
C9 P1 C1 106.09(13) . . ?
C9 P1 C18 111.20(14) . . ?
C1 P1 C18 112.30(14) . . ?
C9 P1 C15 110.94(14) . . ?
C1 P1 C15 108.26(14) . . ?
C18 P1 C15 108.04(15) . . ?
C21 P2 C29 106.90(13) . . ?
C21 P2 C32 106.35(13) . . ?
C29 P2 C32 106.42(14) . . ?
C21 P2 Pt1 103.74(10) . . ?
C29 P2 Pt1 118.42(10) . . ?
C32 P2 Pt1 114.15(9) . . ?
C6 C1 C2 120.1(3) . . ?
C6 C1 P1 122.2(2) . . ?
C2 C1 P1 117.6(2) . . ?
C3 C2 C1 118.4(2) . . ?
C3 C2 C7 117.2(2) . . ?
C1 C2 C7 124.4(2) . . ?
C4 C3 C2 121.4(3) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C3 C4 C5 119.9(3) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 121.1(3) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 118.9(3) . . ?
C5 C6 C14 117.7(3) . . ?
C1 C6 C14 123.4(3) . . ?
C8 C7 C2 125.6(2) . . ?
C8 C7 Pt1 67.01(15) . . ?
C2 C7 Pt1 103.70(17) . . ?
C8 C7 H7 119.6 . . ?
C2 C7 H7 108.9 . . ?
Pt1 C7 H7 125.8 . . ?
C7 C8 C9 116.8(2) . . ?
C7 C8 C10 122.9(3) . . ?
C9 C8 C10 120.1(3) . . ?
C7 C8 Pt1 76.41(16) . . ?
C9 C8 Pt1 71.33(15) . . ?
C10 C8 Pt1 118.75(19) . . ?
C8 C9 P1 119.2(2) . . ?
C8 C9 Pt1 70.00(15) . . ?
P1 C9 Pt1 110.34(13) . . ?
C8 C9 H9 119.7 . . ?
P1 C9 H9 110.1 . . ?
Pt1 C9 H9 122.4 . . ?
C11 C10 C12 108.4(3) . . ?
C11 C10 C13 109.8(3) . . ?
C12 C10 C13 107.3(3) . . ?
C11 C10 C8 112.2(3) . . ?
C12 C10 C8 112.3(3) . . ?
C13 C10 C8 106.8(3) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 C16 111.6(3) . . ?
C17 C15 P1 112.7(3) . . ?
C16 C15 P1 110.5(2) . . ?
C17 C15 H15 107.3 . . ?
C16 C15 H15 107.3 . . ?
P1 C15 H15 107.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C20 111.0(3) . . ?
C19 C18 P1 111.7(2) . . ?
C20 C18 P1 111.5(2) . . ?
C19 C18 H18 107.5 . . ?
C20 C18 H18 107.5 . . ?
P1 C18 H18 107.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 120.9(3) . . ?
C22 C21 P2 111.3(2) . . ?
C26 C21 P2 127.8(2) . . ?
C23 C22 C21 118.9(3) . . ?
C23 C22 C27 120.8(3) . . ?
C21 C22 C27 120.2(3) . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C25 C24 C23 120.6(3) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C24 C25 C26 121.5(3) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C25 C26 C21 117.6(3) . . ?
C25 C26 C28 118.4(3) . . ?
C21 C26 C28 124.0(3) . . ?
C22 C27 Pt1 114.5(2) . . ?
C22 C27 H27A 108.6 . . ?
Pt1 C27 H27A 108.6 . . ?
C22 C27 H27B 108.6 . . ?
Pt1 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 C30 111.4(3) . . ?
C31 C29 P2 112.1(2) . . ?
C30 C29 P2 109.9(2) . . ?
C31 C29 H29 107.7 . . ?
C30 C29 H29 107.7 . . ?
P2 C29 H29 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C34 C32 C33 109.8(3) . . ?
C34 C32 P2 112.2(2) . . ?
C33 C32 P2 111.0(2) . . ?
C34 C32 H32 107.9 . . ?
C33 C32 H32 107.9 . . ?
P2 C32 H32 107.9 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
F4 B1 F2 109.9(3) . . ?
F4 B1 F1 109.8(3) . . ?
F2 B1 F1 112.7(3) . . ?
F4 B1 F3 108.7(3) . . ?
F2 B1 F3 107.2(3) . . ?
F1 B1 F3 108.5(3) . . ?
Cl2 C35 Cl1 111.3(2) . . ?
Cl2 C35 H35A 109.4 . . ?
Cl1 C35 H35A 109.4 . . ?
Cl2 C35 H35B 109.4 . . ?
Cl1 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?

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
C9 P1 C1 C6 -176.9(2) . . . . ?
C18 P1 C1 C6 -55.2(3) . . . . ?
C15 P1 C1 C6 63.9(3) . . . . ?
C9 P1 C1 C2 4.6(2) . . . . ?
C18 P1 C1 C2 126.2(2) . . . . ?
C15 P1 C1 C2 -114.6(2) . . . . ?
C6 C1 C2 C3 4.4(4) . . . . ?
P1 C1 C2 C3 -177.0(2) . . . . ?
C6 C1 C2 C7 -173.8(3) . . . . ?
P1 C1 C2 C7 4.8(4) . . . . ?
C1 C2 C3 C4 -1.3(4) . . . . ?
C7 C2 C3 C4 177.0(3) . . . . ?
C2 C3 C4 C5 -1.6(5) . . . . ?
C3 C4 C5 C6 1.3(5) . . . . ?
C4 C5 C6 C1 1.8(5) . . . . ?
C4 C5 C6 C14 -176.4(3) . . . . ?
C2 C1 C6 C5 -4.7(4) . . . . ?
P1 C1 C6 C5 176.8(2) . . . . ?
C2 C1 C6 C14 173.4(3) . . . . ?
P1 C1 C6 C14 -5.0(4) . . . . ?
C3 C2 C7 C8 -171.5(3) . . . . ?
C1 C2 C7 C8 6.7(4) . . . . ?
C3 C2 C7 Pt1 117.1(2) . . . . ?
C1 C2 C7 Pt1 -64.7(3) . . . . ?
C2 C7 C8 C9 -30.1(4) . . . . ?
Pt1 C7 C8 C9 60.6(2) . . . . ?
C2 C7 C8 C10 153.6(3) . . . . ?
Pt1 C7 C8 C10 -115.7(3) . . . . ?
C2 C7 C8 Pt1 -90.7(3) . . . . ?
C7 C8 C9 P1 39.4(3) . . . . ?
C10 C8 C9 P1 -144.2(2) . . . . ?
Pt1 C8 C9 P1 102.74(18) . . . . ?
C7 C8 C9 Pt1 -63.3(2) . . . . ?
C10 C8 C9 Pt1 113.0(2) . . . . ?
C1 P1 C9 C8 -26.5(2) . . . . ?
C18 P1 C9 C8 -148.8(2) . . . . ?
C15 P1 C9 C8 90.9(2) . . . . ?
C1 P1 C9 Pt1 51.36(17) . . . . ?
C18 P1 C9 Pt1 -71.01(18) . . . . ?
C15 P1 C9 Pt1 168.72(14) . . . . ?
C7 C8 C10 C11 132.7(3) . . . . ?
C9 C8 C10 C11 -43.4(4) . . . . ?
Pt1 C8 C10 C11 40.6(4) . . . . ?
C7 C8 C10 C12 10.3(4) . . . . ?
C9 C8 C10 C12 -165.8(3) . . . . ?
Pt1 C8 C10 C12 -81.8(3) . . . . ?
C7 C8 C10 C13 -106.9(4) . . . . ?
C9 C8 C10 C13 76.9(4) . . . . ?
Pt1 C8 C10 C13 161.0(3) . . . . ?
C9 P1 C15 C17 51.6(3) . . . . ?
C1 P1 C15 C17 167.7(3) . . . . ?
C18 P1 C15 C17 -70.5(3) . . . . ?
C9 P1 C15 C16 -73.9(3) . . . . ?
C1 P1 C15 C16 42.1(3) . . . . ?
C18 P1 C15 C16 164.0(3) . . . . ?
C9 P1 C18 C19 86.3(2) . . . . ?
C1 P1 C18 C19 -32.4(3) . . . . ?
C15 P1 C18 C19 -151.7(2) . . . . ?
C9 P1 C18 C20 -38.5(3) . . . . ?
C1 P1 C18 C20 -157.2(2) . . . . ?
C15 P1 C18 C20 83.4(3) . . . . ?
C29 P2 C21 C22 -138.8(2) . . . . ?
C32 P2 C21 C22 107.8(2) . . . . ?
Pt1 P2 C21 C22 -12.9(2) . . . . ?
C29 P2 C21 C26 42.6(3) . . . . ?
C32 P2 C21 C26 -70.8(3) . . . . ?
Pt1 P2 C21 C26 168.5(3) . . . . ?
C26 C21 C22 C23 -5.0(4) . . . . ?
P2 C21 C22 C23 176.4(2) . . . . ?
C26 C21 C22 C27 171.5(3) . . . . ?
P2 C21 C22 C27 -7.1(4) . . . . ?
C21 C22 C23 C24 0.6(5) . . . . ?
C27 C22 C23 C24 -175.9(3) . . . . ?
C22 C23 C24 C25 2.9(5) . . . . ?
C23 C24 C25 C26 -1.9(5) . . . . ?
C24 C25 C26 C21 -2.4(5) . . . . ?
C24 C25 C26 C28 177.3(3) . . . . ?
C22 C21 C26 C25 5.8(4) . . . . ?
P2 C21 C26 C25 -175.7(2) . . . . ?
C22 C21 C26 C28 -173.8(3) . . . . ?
P2 C21 C26 C28 4.7(5) . . . . ?
C23 C22 C27 Pt1 -156.5(2) . . . . ?
C21 C22 C27 Pt1 27.1(4) . . . . ?
C21 P2 C29 C31 174.0(2) . . . . ?
C32 P2 C29 C31 -72.6(2) . . . . ?
Pt1 P2 C29 C31 57.5(2) . . . . ?
C21 P2 C29 C30 49.5(3) . . . . ?
C32 P2 C29 C30 162.8(2) . . . . ?
Pt1 P2 C29 C30 -67.0(2) . . . . ?
C21 P2 C32 C34 -156.4(2) . . . . ?
C29 P2 C32 C34 89.9(2) . . . . ?
Pt1 P2 C32 C34 -42.6(2) . . . . ?
C21 P2 C32 C33 -33.1(2) . . . . ?
C29 P2 C32 C33 -146.8(2) . . . . ?
Pt1 P2 C32 C33 80.7(2) . . . . ?

_refine_diff_density_max         0.884
_refine_diff_density_min         -0.552
_refine_diff_density_rms         0.072

