#------------------------------------------------------------------------------
#$Date: 2022-03-31 02:07:02 +0300 (Thu, 31 Mar 2022) $
#$Revision: 274142 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/98/7709857.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7709857
loop_
_publ_author_name
'Alcaide, María M.'
'Sánchez, Práxedes'
'Álvarez, Eleuterio'
'Maya, Celia'
'López-Serrano, Joaquín'
'Peloso, Riccardo'
_publ_section_title
;
 Electrophilic activation of alkynes promoted by a cationic alkylidene
 complex of Pt(ii)
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00811D
_journal_year                    2022
_chemical_formula_moiety         'C34 H53 P2 Pt, B F4'
_chemical_formula_sum            'C34 H53 B F4 P2 Pt'
_chemical_formula_weight         805.60
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-12-06 deposited with the CCDC.	2022-03-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.286(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8390(12)
_cell_length_b                   11.7018(10)
_cell_length_c                   24.993(2)
_cell_measurement_reflns_used    9923
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.70
_cell_measurement_theta_min      2.91
_cell_volume                     3456.8(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
;
 Bruker-Nonius X8kappa APEX II CCD area detector
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            46412
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         2.550
_exptl_absorpt_coefficient_mu    4.195
_exptl_absorpt_correction_T_max  0.9011
_exptl_absorpt_correction_T_min  0.8509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
program SADABS, Bruker (2001).
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_description       block
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.480
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         6241
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0286
_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)+(0.0514P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0784
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5373
_reflns_number_total             6241
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00811d4.cif
_cod_data_source_block           3c
_cod_original_cell_volume        3456.7(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7709857
_shelx_shelxl_version_number     2016/6
_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. 
;
_shelx_estimated_absorpt_t_min   0.487
_shelx_estimated_absorpt_t_max   0.679
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'
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 . . . . .
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'
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_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_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) . . . . ?
