#------------------------------------------------------------------------------
#$Date: 2019-11-17 05:23:36 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228108 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/10/7121051.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_7121051
loop_
_publ_author_name
'Marineau-Plante, Gabriel'
'Juvenal, Frank'
'Langlois, Adam'
'Fortin, Daniel'
'Soldera, Armand'
'Harvey, Pierre D.'
_publ_section_title
;
 Multiply "trapped"
 ³[trans-Pt(PR₃)₂(C[triple bond, length
 as m-dash]CC₆H₄X)₂]* conformers in rigid
 media.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              976
_journal_page_last               979
_journal_paper_doi               10.1039/c7cc09503a
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C40 H64 P2 Pt1'
_chemical_formula_sum            'C40 H64 P2 Pt'
_chemical_formula_weight         801.94
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2017-10-18T10:24:54-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-11-08 deposited with the CCDC.
2017-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                92.836(3)
_cell_angle_beta                 94.533(3)
_cell_angle_gamma                97.557(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2439(12)
_cell_length_b                   14.2311(18)
_cell_length_c                   15.107(2)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.49
_cell_measurement_theta_min      2.49
_cell_measurement_wavelength     0.71073
_cell_volume                     1960.3(4)
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_type       'x-axis to radiation source'
_diffrn_orient_matrix_UB_11      -0.043087
_diffrn_orient_matrix_UB_12      -0.027191
_diffrn_orient_matrix_UB_13      -0.060089
_diffrn_orient_matrix_UB_21      -0.094815
_diffrn_orient_matrix_UB_22      0.023168
_diffrn_orient_matrix_UB_23      0.011282
_diffrn_orient_matrix_UB_31      0.033941
_diffrn_orient_matrix_UB_32      0.061375
_diffrn_orient_matrix_UB_33      -0.026217
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_unetI/netI     0.0191
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29834
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         26.469
_diffrn_reflns_theta_min         1.355
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.685
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.185
_refine_diff_density_max         1.462
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     384
_refine_ls_number_reflns         8055
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          1.5
_refine_ls_shift/su_mean         0.04
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0181P)²+3.6876P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.053
_refine_ls_wR_factor_ref         0.0579
_reflns_Friedel_coverage         0
_reflns_number_gt                6448
_reflns_number_total             8055
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc09503a2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7121049--7121052.cif.'
_cod_original_cell_volume        1960.4(4)
_cod_database_code               7121051
_shelx_estimated_absorpt_t_min   0.282
_shelx_estimated_absorpt_t_max   0.549
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.5 0.5 0 0.02858(5) Uani 1 2 d S . P . .
Pt2 Pt 0 0 0.5 0.01980(5) Uani 1 2 d S . P . .
P1 P 0.68545(10) 0.40931(7) -0.01314(6) 0.03170(19) Uani 1 1 d . . . . .
P2 P -0.22274(9) -0.08910(6) 0.51007(6) 0.02503(17) Uani 1 1 d . . . . .
C1 C 0.6393(4) 0.2819(3) -0.0033(3) 0.0393(8) Uani 1 1 d . . . . .
H9 H 0.599578 0.271865 0.055003 0.047 Uiso 1 1 calc R U . . .
H1 H 0.560088 0.25758 -0.049932 0.047 Uiso 1 1 calc R U . . .
C2 C 0.7636(6) 0.2224(4) -0.0110(4) 0.0728(9) Uani 1 1 d . . . . .
H8 H 0.842689 0.245066 0.036254 0.087 Uiso 1 1 calc R U . . .
H7 H 0.804199 0.231689 -0.069112 0.087 Uiso 1 1 calc R U . . .
C3 C 0.7140(6) 0.1144(4) -0.0027(4) 0.0728(9) Uani 1 1 d . . . . .
H6 H 0.80243 0.082191 0.004687 0.087 Uiso 1 1 calc R U . . .
H2 H 0.662175 0.106544 0.051882 0.087 Uiso 1 1 calc R U . . .
C4 C 0.6211(6) 0.0680(4) -0.0759(4) 0.0728(9) Uani 1 1 d . . . . .
H4 H 0.527876 0.093896 -0.079607 0.109 Uiso 1 1 calc R U . . .
H5 H 0.603014 -0.000261 -0.067379 0.109 Uiso 1 1 calc R U . . .
H3 H 0.668518 0.078298 -0.131014 0.109 Uiso 1 1 calc R U . . .
C5 C 0.7612(4) 0.4203(3) -0.1200(2) 0.0375(8) Uani 1 1 d . . . . .
H10 H 0.806964 0.486542 -0.124703 0.045 Uiso 1 1 calc R U . . .
H11 H 0.838342 0.378509 -0.12417 0.045 Uiso 1 1 calc R U . . .
C6 C 0.6416(5) 0.3928(3) -0.1975(3) 0.0489(10) Uani 1 1 d . . . . .
H12 H 0.612523 0.323196 -0.200307 0.059 Uiso 1 1 calc R U . . .
H18 H 0.554429 0.423093 -0.184729 0.059 Uiso 1 1 calc R U . . .
C7 C 0.6866(5) 0.4207(3) -0.2864(3) 0.0499(10) Uani 1 1 d . . . . .
H13 H 0.77187 0.389059 -0.300527 0.06 Uiso 1 1 calc R U . . .
H17 H 0.717416 0.490158 -0.283868 0.06 Uiso 1 1 calc R U . . .
C8 C 0.5643(6) 0.3943(4) -0.3597(3) 0.0654(13) Uani 1 1 d . . . . .
H15 H 0.541508 0.324976 -0.367317 0.098 Uiso 1 1 calc R U . . .
H16 H 0.59534 0.419443 -0.415424 0.098 Uiso 1 1 calc R U . . .
H14 H 0.477005 0.421291 -0.343769 0.098 Uiso 1 1 calc R U . . .
C9 C 0.8363(4) 0.4484(3) 0.0703(2) 0.0349(8) Uani 1 1 d . . . . .
H26 H 0.918363 0.411993 0.060234 0.042 Uiso 1 1 calc R U . . .
H27 H 0.87124 0.516392 0.064463 0.042 Uiso 1 1 calc R U . . .
C10 C 0.7894(5) 0.4342(3) 0.1645(3) 0.0472(10) Uani 1 1 d . . . . .
H19 H 0.687069 0.447449 0.165809 0.057 Uiso 1 1 calc R U . . .
H20 H 0.790396 0.366597 0.177005 0.057 Uiso 1 1 calc R U . . .
C11 C 0.8809(5) 0.4938(4) 0.2372(3) 0.0595(12) Uani 1 1 d . . . . .
H25 H 0.985273 0.487597 0.231618 0.071 Uiso 1 1 calc R U . . .
H24 H 0.855141 0.469988 0.295205 0.071 Uiso 1 1 calc R U . . .
C12 C 0.8610(6) 0.5981(4) 0.2358(4) 0.0816(17) Uani 1 1 d . . . . .
H21 H 0.896284 0.623943 0.181348 0.122 Uiso 1 1 calc R U . . .
H22 H 0.916824 0.633241 0.287739 0.122 Uiso 1 1 calc R U . . .
H23 H 0.756891 0.604415 0.237568 0.122 Uiso 1 1 calc R U . . .
C13 C 0.3668(4) 0.3924(3) 0.0423(2) 0.0331(8) Uani 1 1 d . . . . .
C14 C 0.2836(4) 0.3306(3) 0.0708(2) 0.0344(8) Uani 1 1 d . . . . .
C15 C 0.1853(4) 0.2609(3) 0.1098(2) 0.0308(7) Uani 1 1 d . . . . .
C16 C 0.1062(4) 0.2873(3) 0.1796(2) 0.0352(8) Uani 1 1 d . . . . .
H32 H 0.116209 0.352104 0.200444 0.042 Uiso 1 1 calc R U . . .
C17 C 0.0130(4) 0.2203(3) 0.2189(3) 0.0415(9) Uani 1 1 d . . . . .
H31 H -0.040111 0.239595 0.266385 0.05 Uiso 1 1 calc R U . . .
C18 C -0.0028(4) 0.1268(3) 0.1899(3) 0.0450(10) Uani 1 1 d . . . . .
H30 H -0.066679 0.081135 0.217001 0.054 Uiso 1 1 calc R U . . .
C19 C 0.0742(5) 0.0993(3) 0.1213(3) 0.0469(10) Uani 1 1 d . . . . .
H29 H 0.063378 0.034319 0.10109 0.056 Uiso 1 1 calc R U . . .
C20 C 0.1671(4) 0.1650(3) 0.0813(3) 0.0406(9) Uani 1 1 d . . . . .
H28 H 0.219234 0.144696 0.033807 0.049 Uiso 1 1 calc R U . . .
C21 C -0.3444(4) -0.0327(3) 0.5788(2) 0.0307(7) Uani 1 1 d . . . . .
H34 H -0.360633 0.028283 0.553511 0.037 Uiso 1 1 calc R U . . .
H33 H -0.44027 -0.073679 0.5741 0.037 Uiso 1 1 calc R U . . .
C22 C -0.2926(4) -0.0130(3) 0.6776(2) 0.0386(8) Uani 1 1 d . . . . .
H35 H -0.376867 0.001538 0.709906 0.046 Uiso 1 1 calc R U . . .
H36 H -0.260827 -0.07145 0.700861 0.046 Uiso 1 1 calc R U . . .
C23 C -0.1691(4) 0.0674(3) 0.6978(3) 0.0439(9) Uani 1 1 d . . . . .
H37 H -0.086129 0.054169 0.66371 0.053 Uiso 1 1 calc R U . . .
H41 H -0.13561 0.069023 0.761818 0.053 Uiso 1 1 calc R U . . .
C24 C -0.2080(6) 0.1638(3) 0.6764(3) 0.0621(12) Uani 1 1 d . . . . .
H39 H -0.229551 0.165575 0.611958 0.093 Uiso 1 1 calc R U . . .
H40 H -0.125417 0.212549 0.696624 0.093 Uiso 1 1 calc R U . . .
H38 H -0.294262 0.175952 0.706591 0.093 Uiso 1 1 calc R U . . .
C25 C -0.2219(4) -0.2055(3) 0.5537(3) 0.0458(10) Uani 1 1 d . . . . .
H25A H -0.159749 -0.197982 0.610684 0.055 Uiso 1 1 calc R U . A 1
H25B H -0.322874 -0.229111 0.567133 0.055 Uiso 1 1 calc R U . A 1
C26A C -0.171(5) -0.2777(14) 0.4979(19) 0.0858(18) Uani 0.492(7) 1 d D . P B 1
H26A H -0.071706 -0.256662 0.480596 0.103 Uiso 0.492(7) 1 calc R U P B 1
H26B H -0.238761 -0.29499 0.443675 0.103 Uiso 0.492(7) 1 calc R U P B 1
C27A C -0.1719(15) -0.3643(7) 0.5619(10) 0.0858(18) Uani 0.492(7) 1 d D . P B 1
H27A H -0.067423 -0.3708 0.576242 0.103 Uiso 0.492(7) 1 calc R U P B 1
H27B H -0.20738 -0.340939 0.617996 0.103 Uiso 0.492(7) 1 calc R U P B 1
C28A C -0.2166(14) -0.4226(7) 0.5516(10) 0.0858(18) Uani 0.492(7) 1 d D . P B 1
H28A H -0.30864 -0.429384 0.580268 0.129 Uiso 0.492(7) 1 calc R U P B 1
H28B H -0.153646 -0.467182 0.575801 0.129 Uiso 0.492(7) 1 calc R U P B 1
H28C H -0.237542 -0.436439 0.487367 0.129 Uiso 0.492(7) 1 calc R U P B 1
C26B C -0.156(5) -0.2769(14) 0.4900(18) 0.0858(18) Uani 0.508(7) 1 d D . P B 2
H26C H -0.229015 -0.294688 0.438503 0.103 Uiso 0.508(7) 1 calc R U P B 2
H26D H -0.069155 -0.240779 0.466763 0.103 Uiso 0.508(7) 1 calc R U P B 2
C27B C -0.1082(15) -0.3691(6) 0.5226(10) 0.0858(18) Uani 0.508(7) 1 d D . P B 2
H27C H -0.000322 -0.352528 0.53006 0.103 Uiso 0.508(7) 1 calc R U P B 2
H27D H -0.138563 -0.367873 0.584023 0.103 Uiso 0.508(7) 1 calc R U P B 2
C28B C -0.1197(14) -0.4450(6) 0.5056(9) 0.0858(18) Uani 0.508(7) 1 d D . P B 2
H28D H -0.211061 -0.464494 0.467984 0.129 Uiso 0.508(7) 1 calc R U P B 2
H28E H -0.121845 -0.479506 0.560206 0.129 Uiso 0.508(7) 1 calc R U P B 2
H28F H -0.036602 -0.459554 0.473438 0.129 Uiso 0.508(7) 1 calc R U P B 2
C29 C -0.3329(4) -0.1091(3) 0.4038(2) 0.0316(7) Uani 1 1 d . . . . .
H29A H -0.408814 -0.16442 0.407382 0.038 Uiso 1 1 calc R U . . .
H29B H -0.383773 -0.053068 0.393757 0.038 Uiso 1 1 calc R U . . .
C30 C -0.2472(4) -0.1270(3) 0.3234(2) 0.0429(9) Uani 1 1 d . . . . .
H55 H -0.170889 -0.07193 0.319701 0.051 Uiso 1 1 calc R U . . .
H54 H -0.196892 -0.183432 0.332931 0.051 Uiso 1 1 calc R U . . .
C31 C -0.3389(5) -0.1425(4) 0.2375(3) 0.0695(15) Uani 1 1 d . . . . .
H53 H -0.392479 -0.087369 0.229048 0.083 Uiso 1 1 calc R U . . .
H52 H -0.412411 -0.199373 0.240114 0.083 Uiso 1 1 calc R U . . .
C32 C -0.2519(6) -0.1560(4) 0.1581(3) 0.0699(15) Uani 1 1 d . . . . .
H50 H -0.190925 -0.09622 0.148794 0.105 Uiso 1 1 calc R U . . .
H51 H -0.319347 -0.175186 0.105011 0.105 Uiso 1 1 calc R U . . .
H49 H -0.189268 -0.2054 0.16909 0.105 Uiso 1 1 calc R U . . .
C33 C 0.1169(3) -0.0923(2) 0.5585(2) 0.0246(6) Uani 1 1 d . . . . .
C34 C 0.1973(3) -0.1429(2) 0.5921(2) 0.0278(7) Uani 1 1 d . . . . .
C35 C 0.2964(3) -0.2023(2) 0.6314(2) 0.0288(7) Uani 1 1 d . . . . .
C36 C 0.3779(4) -0.1740(3) 0.7122(2) 0.0384(8) Uani 1 1 d . . . . .
H61 H 0.3673 -0.115096 0.741622 0.046 Uiso 1 1 calc R U . . .
C37 C 0.4741(4) -0.2305(3) 0.7501(3) 0.0489(11) Uani 1 1 d . . . . .
H60 H 0.528637 -0.210186 0.805194 0.059 Uiso 1 1 calc R U . . .
C38 C 0.4910(4) -0.3158(3) 0.7083(3) 0.0534(12) Uani 1 1 d . . . . .
H59 H 0.557234 -0.354485 0.734264 0.064 Uiso 1 1 calc R U . . .
C39 C 0.4115(5) -0.3447(3) 0.6288(3) 0.0514(11) Uani 1 1 d . . . . .
H58 H 0.422989 -0.403738 0.599796 0.062 Uiso 1 1 calc R U . . .
C40 C 0.3144(4) -0.2889(3) 0.5902(3) 0.0402(9) Uani 1 1 d . . . . .
H57 H 0.260005 -0.310028 0.535289 0.048 Uiso 1 1 calc R U . . .
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 0 '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
C13 Pt1 C13 180.00(15) . 2_665
C13 Pt1 P1 87.43(10) . 2_665
C13 Pt1 P1 92.57(10) 2_665 2_665
C13 Pt1 P1 92.56(10) . .
C13 Pt1 P1 87.44(10) 2_665 .
P1 Pt1 P1 180 2_665 .
C33 Pt2 C33 180.00(14) . 2_556
C33 Pt2 P2 95.05(9) . .
C33 Pt2 P2 84.95(9) 2_556 .
C33 Pt2 P2 84.95(9) . 2_556
C33 Pt2 P2 95.05(9) 2_556 2_556
P2 Pt2 P2 180 . 2_556
C9 P1 C5 106.00(17) . .
C9 P1 C1 106.08(17) . .
C5 P1 C1 104.96(18) . .
C9 P1 Pt1 110.73(13) . .
C5 P1 Pt1 111.60(13) . .
C1 P1 Pt1 116.74(12) . .
C25 P2 C29 105.51(18) . .
C25 P2 C21 103.72(18) . .
C29 P2 C21 101.57(15) . .
C25 P2 Pt2 117.17(13) . .
C29 P2 Pt2 112.81(12) . .
C21 P2 Pt2 114.42(12) . .
C2 C1 P1 116.3(3) . .
C2 C1 H9 108.2 . .
P1 C1 H9 108.2 . .
C2 C1 H1 108.2 . .
P1 C1 H1 108.2 . .
H9 C1 H1 107.4 . .
C1 C2 C3 112.8(4) . .
C1 C2 H8 109 . .
C3 C2 H8 109 . .
C1 C2 H7 109 . .
C3 C2 H7 109 . .
H8 C2 H7 107.8 . .
C4 C3 C2 115.3(5) . .
C4 C3 H6 108.5 . .
C2 C3 H6 108.5 . .
C4 C3 H2 108.5 . .
C2 C3 H2 108.5 . .
H6 C3 H2 107.5 . .
C3 C4 H4 109.5 . .
C3 C4 H5 109.5 . .
H4 C4 H5 109.5 . .
C3 C4 H3 109.5 . .
H4 C4 H3 109.5 . .
H5 C4 H3 109.5 . .
C6 C5 P1 111.3(3) . .
C6 C5 H10 109.4 . .
P1 C5 H10 109.4 . .
C6 C5 H11 109.4 . .
P1 C5 H11 109.4 . .
H10 C5 H11 108 . .
C7 C6 C5 114.5(3) . .
C7 C6 H12 108.6 . .
C5 C6 H12 108.6 . .
C7 C6 H18 108.6 . .
C5 C6 H18 108.6 . .
H12 C6 H18 107.6 . .
C6 C7 C8 112.3(4) . .
C6 C7 H13 109.1 . .
C8 C7 H13 109.1 . .
C6 C7 H17 109.1 . .
C8 C7 H17 109.1 . .
H13 C7 H17 107.9 . .
C7 C8 H15 109.5 . .
C7 C8 H16 109.5 . .
H15 C8 H16 109.5 . .
C7 C8 H14 109.5 . .
H15 C8 H14 109.5 . .
H16 C8 H14 109.5 . .
C10 C9 P1 111.2(3) . .
C10 C9 H26 109.4 . .
P1 C9 H26 109.4 . .
C10 C9 H27 109.4 . .
P1 C9 H27 109.4 . .
H26 C9 H27 108 . .
C11 C10 C9 115.7(4) . .
C11 C10 H19 108.4 . .
C9 C10 H19 108.4 . .
C11 C10 H20 108.4 . .
C9 C10 H20 108.4 . .
H19 C10 H20 107.4 . .
C10 C11 C12 112.7(4) . .
C10 C11 H25 109 . .
C12 C11 H25 109 . .
C10 C11 H24 109 . .
C12 C11 H24 109 . .
H25 C11 H24 107.8 . .
C11 C12 H21 109.5 . .
C11 C12 H22 109.5 . .
H21 C12 H22 109.5 . .
C11 C12 H23 109.5 . .
H21 C12 H23 109.5 . .
H22 C12 H23 109.5 . .
C14 C13 Pt1 176.7(3) . .
C13 C14 C15 176.4(4) . .
C16 C15 C20 117.5(3) . .
C16 C15 C14 120.3(3) . .
C20 C15 C14 122.1(3) . .
C17 C16 C15 120.9(4) . .
C17 C16 H32 119.5 . .
C15 C16 H32 119.5 . .
C18 C17 C16 120.5(4) . .
C18 C17 H31 119.8 . .
C16 C17 H31 119.8 . .
C17 C18 C19 119.5(4) . .
C17 C18 H30 120.2 . .
C19 C18 H30 120.2 . .
C18 C19 C20 120.8(4) . .
C18 C19 H29 119.6 . .
C20 C19 H29 119.6 . .
C19 C20 C15 120.8(4) . .
C19 C20 H28 119.6 . .
C15 C20 H28 119.6 . .
C22 C21 P2 116.5(2) . .
C22 C21 H34 108.2 . .
P2 C21 H34 108.2 . .
C22 C21 H33 108.2 . .
P2 C21 H33 108.2 . .
H34 C21 H33 107.3 . .
C23 C22 C21 115.0(3) . .
C23 C22 H35 108.5 . .
C21 C22 H35 108.5 . .
C23 C22 H36 108.5 . .
C21 C22 H36 108.5 . .
H35 C22 H36 107.5 . .
C22 C23 C24 114.5(4) . .
C22 C23 H37 108.6 . .
C24 C23 H37 108.6 . .
C22 C23 H41 108.6 . .
C24 C23 H41 108.6 . .
H37 C23 H41 107.6 . .
C23 C24 H39 109.5 . .
C23 C24 H40 109.5 . .
H39 C24 H40 109.5 . .
C23 C24 H38 109.5 . .
H39 C24 H38 109.5 . .
H40 C24 H38 109.5 . .
C26A C25 P2 117.1(8) . .
C26B C25 P2 112.8(8) . .
C26A C25 H25A 110.4 . .
P2 C25 H25A 108 . .
C26A C25 H25B 105.6 . .
P2 C25 H25B 108 . .
H25A C25 H25B 107.2 . .
C25 C26A C27A 102.1(17) . .
C25 C26A H26A 108.8 . .
C27A C26A H26A 109.3 . .
C25 C26A H26B 113.7 . .
C27A C26A H26B 113.4 . .
H26A C26A H26B 109.1 . .
C28A C27A C26A 128.1(19) . .
C28A C27A H27A 104.7 . .
C26A C27A H27A 106.8 . .
C28A C27A H27B 104.4 . .
C26A C27A H27B 105.3 . .
H27A C27A H27B 105.8 . .
C27A C28A H28A 109.7 . .
C27A C28A H28B 109.8 . .
H28A C28A H28B 109.5 . .
C27A C28A H28C 108.9 . .
H28A C28A H28C 109.5 . .
H28B C28A H28C 109.5 . .
C27B C26B C25 121.5(17) . .
C27B C26B H26C 105 . .
C25 C26B H26C 105 . .
C27B C26B H26D 108.7 . .
C25 C26B H26D 108.8 . .
H26C C26B H26D 106.9 . .
C28B C27B C26B 142.0(18) . .
C28B C27B H27C 102.2 . .
C26B C27B H27C 100 . .
C28B C27B H27D 102.2 . .
C26B C27B H27D 101.5 . .
H27C C27B H27D 104.8 . .
C27B C28B H28D 109.7 . .
C27B C28B H28E 109.3 . .
H28D C28B H28E 109.5 . .
C27B C28B H28F 109.4 . .
H28D C28B H28F 109.5 . .
H28E C28B H28F 109.5 . .
C30 C29 P2 115.0(2) . .
C30 C29 H29A 108.5 . .
P2 C29 H29A 108.5 . .
C30 C29 H29B 108.5 . .
P2 C29 H29B 108.5 . .
H29A C29 H29B 107.5 . .
C31 C30 C29 114.0(3) . .
C31 C30 H55 108.7 . .
C29 C30 H55 108.7 . .
C31 C30 H54 108.7 . .
C29 C30 H54 108.7 . .
H55 C30 H54 107.6 . .
C30 C31 C32 113.5(4) . .
C30 C31 H53 108.9 . .
C32 C31 H53 108.9 . .
C30 C31 H52 108.9 . .
C32 C31 H52 108.9 . .
H53 C31 H52 107.7 . .
C31 C32 H50 109.5 . .
C31 C32 H51 109.5 . .
H50 C32 H51 109.5 . .
C31 C32 H49 109.5 . .
H50 C32 H49 109.5 . .
H51 C32 H49 109.5 . .
C34 C33 Pt2 174.6(3) . .
C33 C34 C35 178.7(4) . .
C40 C35 C36 118.0(3) . .
C40 C35 C34 121.3(3) . .
C36 C35 C34 120.7(3) . .
C37 C36 C35 121.0(4) . .
C37 C36 H61 119.5 . .
C35 C36 H61 119.5 . .
C38 C37 C36 120.3(4) . .
C38 C37 H60 119.9 . .
C36 C37 H60 119.9 . .
C37 C38 C39 119.4(4) . .
C37 C38 H59 120.3 . .
C39 C38 H59 120.3 . .
C38 C39 C40 120.8(4) . .
C38 C39 H58 119.6 . .
C40 C39 H58 119.6 . .
C39 C40 C35 120.5(4) . .
C39 C40 H57 119.8 . .
C35 C40 H57 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C13 1.999(4) .
Pt1 C13 1.999(4) 2_665
Pt1 P1 2.2921(9) 2_665
Pt1 P1 2.2922(9) .
Pt2 C33 2.003(3) .
Pt2 C33 2.003(3) 2_556
Pt2 P2 2.2918(9) .
Pt2 P2 2.2918(9) 2_556
P1 C9 1.814(3) .
P1 C5 1.815(4) .
P1 C1 1.824(4) .
P2 C25 1.814(4) .
P2 C29 1.821(3) .
P2 C21 1.823(3) .
C1 C2 1.522(6) .
C1 H9 0.99 .
C1 H1 0.99 .
C2 C3 1.560(7) .
C2 H8 0.99 .
C2 H7 0.99 .
C3 C4 1.422(7) .
C3 H6 0.99 .
C3 H2 0.99 .
C4 H4 0.98 .
C4 H5 0.98 .
C4 H3 0.98 .
C5 C6 1.544(5) .
C5 H10 0.99 .
C5 H11 0.99 .
C6 C7 1.493(6) .
C6 H12 0.99 .
C6 H18 0.99 .
C7 C8 1.515(6) .
C7 H13 0.99 .
C7 H17 0.99 .
C8 H15 0.98 .
C8 H16 0.98 .
C8 H14 0.98 .
C9 C10 1.536(5) .
C9 H26 0.99 .
C9 H27 0.99 .
C10 C11 1.488(6) .
C10 H19 0.99 .
C10 H20 0.99 .
C11 C12 1.521(7) .
C11 H25 0.99 .
C11 H24 0.99 .
C12 H21 0.98 .
C12 H22 0.98 .
C12 H23 0.98 .
C13 C14 1.209(5) .
C14 C15 1.436(5) .
C15 C16 1.394(5) .
C15 C20 1.394(5) .
C16 C17 1.388(5) .
C16 H32 0.95 .
C17 C18 1.365(6) .
C17 H31 0.95 .
C18 C19 1.372(6) .
C18 H30 0.95 .
C19 C20 1.379(5) .
C19 H29 0.95 .
C20 H28 0.95 .
C21 C22 1.532(5) .
C21 H34 0.99 .
C21 H33 0.99 .
C22 C23 1.507(5) .
C22 H35 0.99 .
C22 H36 0.99 .
C23 C24 1.508(6) .
C23 H37 0.99 .
C23 H41 0.99 .
C24 H39 0.98 .
C24 H40 0.98 .
C24 H38 0.98 .
C25 C26A 1.44(3) .
C25 C26B 1.58(3) .
C25 H25A 0.99 .
C25 H25B 0.99 .
C26A C27A 1.604(15) .
C26A H26A 0.99 .
C26A H26B 0.99 .
C27A C28A 0.878(11) .
C27A H27A 0.99 .
C27A H27B 0.99 .
C28A H28A 0.98 .
C28A H28B 0.98 .
C28A H28C 0.98 .
C26B C27B 1.530(14) .
C26B H26C 0.99 .
C26B H26D 0.99 .
C27B C28B 1.088(10) .
C27B H27C 0.99 .
C27B H27D 0.99 .
C28B H28D 0.98 .
C28B H28E 0.98 .
C28B H28F 0.98 .
C29 C30 1.530(5) .
C29 H29A 0.99 .
C29 H29B 0.99 .
C30 C31 1.484(6) .
C30 H55 0.99 .
C30 H54 0.99 .
C31 C32 1.514(6) .
C31 H53 0.99 .
C31 H52 0.99 .
C32 H50 0.98 .
C32 H51 0.98 .
C32 H49 0.98 .
C33 C34 1.202(4) .
C34 C35 1.440(4) .
C35 C40 1.388(5) .
C35 C36 1.394(5) .
C36 C37 1.385(5) .
C36 H61 0.95 .
C37 C38 1.373(6) .
C37 H60 0.95 .
C38 C39 1.374(6) .
C38 H59 0.95 .
C39 C40 1.388(5) .
C39 H58 0.95 .
C40 H57 0.95 .
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
C9 P1 C1 C2 -55.4(4)
C5 P1 C1 C2 56.6(4)
Pt1 P1 C1 C2 -179.3(3)
P1 C1 C2 C3 -179.4(3)
C1 C2 C3 C4 70.2(6)
C9 P1 C5 C6 -177.7(3)
C1 P1 C5 C6 70.3(3)
Pt1 P1 C5 C6 -57.0(3)
P1 C5 C6 C7 166.6(3)
C5 C6 C7 C8 -178.7(4)
C5 P1 C9 C10 -175.0(3)
C1 P1 C9 C10 -63.7(3)
Pt1 P1 C9 C10 63.8(3)
P1 C9 C10 C11 -158.3(3)
C9 C10 C11 C12 70.6(5)
C20 C15 C16 C17 0.1(5)
C14 C15 C16 C17 -178.8(3)
C15 C16 C17 C18 0.0(6)
C16 C17 C18 C19 0.0(6)
C17 C18 C19 C20 -0.1(6)
C18 C19 C20 C15 0.2(6)
C16 C15 C20 C19 -0.2(5)
C14 C15 C20 C19 178.6(4)
C25 P2 C21 C22 65.4(3)
C29 P2 C21 C22 174.7(3)
Pt2 P2 C21 C22 -63.4(3)
P2 C21 C22 C23 72.9(4)
C21 C22 C23 C24 65.5(5)
C29 P2 C25 C26A 56(2)
C21 P2 C25 C26A 162(2)
Pt2 P2 C25 C26A -71(2)
C29 P2 C25 C26B 59.3(17)
C21 P2 C25 C26B 165.7(17)
Pt2 P2 C25 C26B -67.2(17)
P2 C25 C26A C27A 174.7(12)
C25 C26A C27A C28A 125(2)
P2 C25 C26B C27B 164(2)
C25 C26B C27B C28B 130(3)
C25 P2 C29 C30 -90.4(3)
C21 P2 C29 C30 161.7(3)
Pt2 P2 C29 C30 38.7(3)
P2 C29 C30 C31 -179.6(3)
C29 C30 C31 C32 177.6(4)
C40 C35 C36 C37 0.1(5)
C34 C35 C36 C37 -179.6(3)
C35 C36 C37 C38 0.1(6)
C36 C37 C38 C39 -0.2(6)
C37 C38 C39 C40 0.0(6)
C38 C39 C40 C35 0.2(6)
C36 C35 C40 C39 -0.2(5)
C34 C35 C40 C39 179.4(3)
