#------------------------------------------------------------------------------
#$Date: 2019-11-25 17:34:06 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241459 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/11/4131183.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_4131183
loop_
_publ_author_name
'Bertermann, Rüdiger'
'Böhnke, Julian'
'Braunschweig, Holger'
'Dewhurst, Rian D.'
'Kupfer, Thomas'
'Muessig, Jonas H.'
'Pentecost, Leanne'
'Radacki, Krzysztof'
'Sen, Sakya S.'
'Vargas, Alfredo'
_publ_section_title
;
 Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a
 Transition Metal.
;
_journal_issue                   49
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16140
_journal_page_last               16147
_journal_paper_doi               10.1021/jacs.6b10609
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C74 H136 Cl10 In2 P4 Pt2'
_chemical_formula_sum            'C74 H136 Cl10 In2 P4 Pt2'
_chemical_formula_weight         2124.02
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                100.904(9)
_cell_angle_beta                 102.293(6)
_cell_angle_gamma                95.348(8)
_cell_formula_units_Z            1
_cell_length_a                   10.0794(19)
_cell_length_b                   13.775(5)
_cell_length_c                   16.137(5)
_cell_measurement_reflns_used    9419
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.76
_cell_measurement_theta_min      2.65
_cell_volume                     2128.7(11)
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CMOS area detector (Photon 100)'
_diffrn_detector_area_resol_mean 10.24
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0226
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            64469
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.219
_diffrn_source                   'microfocus sealed tube (Incoatec ImS)'
_exptl_absorpt_coefficient_mu    4.238
_exptl_absorpt_correction_T_max  0.6287
_exptl_absorpt_correction_T_min  0.4031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SadAbs 2014/4 (Bruker AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_description       plate
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.307
_exptl_crystal_size_min          0.079
_refine_diff_density_max         1.491
_refine_diff_density_min         -0.957
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         8709
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0198P)²+6.1919P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0582
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8170
_reflns_number_total             8709
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja6b10609_si_001.cif
_cod_data_source_block           1b
_cod_original_cell_volume        2128.7(10)
_cod_database_code               4131183
_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   0.319
_shelx_estimated_absorpt_t_max   0.731
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_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
Pt1 Pt 0.81723(2) 0.29374(2) 0.76540(2) 0.01430(4) Uani 1 1 d . .
C1 C 0.7849(3) 0.3704(2) 0.5702(2) 0.0200(6) Uani 1 1 d . .
H1 H 0.7954 0.2984 0.5531 0.024 Uiso 1 1 calc R U
P1 P 0.87942(8) 0.40870(5) 0.68577(5) 0.01398(15) Uani 1 1 d . .
Cl1 Cl 0.78896(10) 0.16404(5) 0.63825(5) 0.02440(17) Uani 1 1 d . .
In1 In 0.84678(2) 0.42962(2) 0.90165(2) 0.01538(5) Uani 1 1 d . .
Cl3 Cl 0.97574(8) 0.41020(5) 1.05265(5) 0.02053(16) Uani 1 1 d . .
C3 C 0.5514(4) 0.3205(3) 0.4670(2) 0.0347(9) Uani 1 1 d . .
H3A H 0.5602 0.2484 0.4561 0.042 Uiso 1 1 calc R U
H3B H 0.4529 0.3268 0.4607 0.042 Uiso 1 1 calc R U
Cl2 Cl 0.67413(9) 0.51108(6) 0.95478(6) 0.02821(18) Uani 1 1 d . .
P2 P 0.76118(8) 0.17004(5) 0.83867(5) 0.01316(15) Uani 1 1 d . .
C2 C 0.6303(3) 0.3703(3) 0.5605(2) 0.0262(7) Uani 1 1 d . .
H2A H 0.6107 0.4398 0.5748 0.031 Uiso 1 1 calc R U
H2B H 0.5991 0.3336 0.6017 0.031 Uiso 1 1 calc R U
Cl4 Cl 0.03080(12) -0.10508(10) 0.58048(8) 0.0516(3) Uani 1 1 d . .
C4 C 0.6034(4) 0.3663(3) 0.4007(2) 0.0308(8) Uani 1 1 d . .
H4A H 0.5830 0.4359 0.4063 0.037 Uiso 1 1 calc R U
H4B H 0.5550 0.3285 0.3417 0.037 Uiso 1 1 calc R U
C6 C 0.8372(4) 0.4190(3) 0.5034(2) 0.0283(8) Uani 1 1 d . .
H6A H 0.9360 0.4141 0.5092 0.034 Uiso 1 1 calc R U
H6B H 0.8258 0.4906 0.5138 0.034 Uiso 1 1 calc R U
Cl5 Cl -0.26450(12) -0.13975(10) 0.56222(8) 0.0501(3) Uani 1 1 d . .
C5 C 0.7561(4) 0.3660(3) 0.4117(2) 0.0241(7) Uani 1 1 d . .
H5A H 0.7874 0.3995 0.3688 0.029 Uiso 1 1 calc R U
H5B H 0.7752 0.2961 0.3999 0.029 Uiso 1 1 calc R U
C9 C 0.7257(4) 0.6637(3) 0.7962(2) 0.0257(7) Uani 1 1 d . .
H9A H 0.6326 0.6757 0.8021 0.031 Uiso 1 1 calc R U
H9B H 0.7832 0.6671 0.8549 0.031 Uiso 1 1 calc R U
C8 C 0.7181(3) 0.5592(2) 0.7396(2) 0.0205(7) Uani 1 1 d . .
H8A H 0.6546 0.5536 0.6824 0.025 Uiso 1 1 calc R U
H8B H 0.6824 0.5081 0.7679 0.025 Uiso 1 1 calc R U
C7 C 0.8614(3) 0.5409(2) 0.7269(2) 0.0173(6) Uani 1 1 d . .
H7 H 0.9217 0.5585 0.7869 0.021 Uiso 1 1 calc R U
C11 C 0.9240(4) 0.7244(2) 0.7383(3) 0.0297(8) Uani 1 1 d . .
H11A H 0.9919 0.7301 0.7938 0.036 Uiso 1 1 calc R U
H11B H 0.9565 0.7753 0.7085 0.036 Uiso 1 1 calc R U
C10 C 0.7861(4) 0.7444(3) 0.7567(2) 0.0278(8) Uani 1 1 d . .
H10A H 0.7217 0.7475 0.7019 0.033 Uiso 1 1 calc R U
H10B H 0.7976 0.8100 0.7971 0.033 Uiso 1 1 calc R U
C12 C 0.9138(4) 0.6196(2) 0.6811(2) 0.0263(7) Uani 1 1 d . .
H12A H 0.8500 0.6146 0.6241 0.032 Uiso 1 1 calc R U
H12B H 1.0050 0.6077 0.6710 0.032 Uiso 1 1 calc R U
C15 C 1.3095(3) 0.4618(3) 0.7755(2) 0.0256(7) Uani 1 1 d . .
H15A H 1.3334 0.5087 0.7398 0.031 Uiso 1 1 calc R U
H15B H 1.3653 0.4869 0.8356 0.031 Uiso 1 1 calc R U
C14 C 1.1574(3) 0.4584(3) 0.7756(2) 0.0236(7) Uani 1 1 d . .
H14A H 1.1380 0.5270 0.7955 0.028 Uiso 1 1 calc R U
H14B H 1.1363 0.4183 0.8172 0.028 Uiso 1 1 calc R U
C13 C 1.0640(3) 0.4131(2) 0.6851(2) 0.0173(6) Uani 1 1 d . .
H13 H 1.0832 0.4574 0.6453 0.021 Uiso 1 1 calc R U
C16 C 1.3433(4) 0.3590(3) 0.7397(3) 0.0312(8) Uani 1 1 d . .
H16A H 1.3290 0.3138 0.7789 0.037 Uiso 1 1 calc R U
H16B H 1.4410 0.3644 0.7371 0.037 Uiso 1 1 calc R U
C18 C 1.1005(4) 0.3096(3) 0.6501(3) 0.0276(8) Uani 1 1 d . .
H18A H 1.0793 0.2634 0.6871 0.033 Uiso 1 1 calc R U
H18B H 1.0439 0.2827 0.5905 0.033 Uiso 1 1 calc R U
C17 C 1.2530(4) 0.3153(3) 0.6489(3) 0.0351(9) Uani 1 1 d . .
H17A H 1.2741 0.2476 0.6276 0.042 Uiso 1 1 calc R U
H17B H 1.2728 0.3576 0.6085 0.042 Uiso 1 1 calc R U
C20 C 1.0284(3) 0.1795(2) 0.9339(2) 0.0202(7) Uani 1 1 d . .
H20A H 1.0568 0.2319 0.9044 0.024 Uiso 1 1 calc R U
H20B H 0.9957 0.2123 0.9845 0.024 Uiso 1 1 calc R U
C21 C 1.1523(3) 0.1283(3) 0.9658(2) 0.0233(7) Uani 1 1 d . .
H21A H 1.2278 0.1791 1.0033 0.028 Uiso 1 1 calc R U
H21B H 1.1268 0.0810 1.0009 0.028 Uiso 1 1 calc R U
C22 C 1.2010(3) 0.0720(2) 0.8893(2) 0.0225(7) Uani 1 1 d . .
H22A H 1.2343 0.1200 0.8571 0.027 Uiso 1 1 calc R U
H22B H 1.2781 0.0369 0.9111 0.027 Uiso 1 1 calc R U
C23 C 1.0840(3) -0.0035(2) 0.8284(2) 0.0213(7) Uani 1 1 d . .
H23A H 1.0551 -0.0540 0.8596 0.026 Uiso 1 1 calc R U
H23B H 1.1164 -0.0384 0.7785 0.026 Uiso 1 1 calc R U
C24 C 0.9605(3) 0.0482(2) 0.7949(2) 0.0191(6) Uani 1 1 d . .
H24A H 0.9874 0.0953 0.7600 0.023 Uiso 1 1 calc R U
H24B H 0.8851 -0.0024 0.7569 0.023 Uiso 1 1 calc R U
C25 C 0.6291(3) 0.0707(2) 0.7651(2) 0.0170(6) Uani 1 1 d . .
H25 H 0.6751 0.0396 0.7196 0.020 Uiso 1 1 calc R U
C26 C 0.5817(3) -0.0163(2) 0.8041(2) 0.0198(6) Uani 1 1 d . .
H26A H 0.6624 -0.0412 0.8356 0.024 Uiso 1 1 calc R U
H26B H 0.5264 0.0070 0.8459 0.024 Uiso 1 1 calc R U
C27 C 0.4956(4) -0.1006(2) 0.7311(2) 0.0240(7) Uani 1 1 d . .
H27A H 0.5539 -0.1276 0.6925 0.029 Uiso 1 1 calc R U
H27B H 0.4618 -0.1553 0.7565 0.029 Uiso 1 1 calc R U
C28 C 0.3739(4) -0.0645(3) 0.6778(3) 0.0302(8) Uani 1 1 d . .
H28A H 0.3095 -0.0455 0.7146 0.036 Uiso 1 1 calc R U
H28B H 0.3248 -0.1196 0.6289 0.036 Uiso 1 1 calc R U
C29 C 0.4190(4) 0.0251(3) 0.6419(3) 0.0309(8) Uani 1 1 d . .
H29A H 0.3368 0.0496 0.6117 0.037 Uiso 1 1 calc R U
H29B H 0.4731 0.0037 0.5988 0.037 Uiso 1 1 calc R U
C30 C 0.5063(4) 0.1109(2) 0.7146(2) 0.0240(7) Uani 1 1 d . .
H30A H 0.5394 0.1656 0.6891 0.029 Uiso 1 1 calc R U
H30B H 0.4498 0.1377 0.7545 0.029 Uiso 1 1 calc R U
C31 C 0.7068(3) 0.2093(2) 0.9418(2) 0.0166(6) Uani 1 1 d . .
H31 H 0.7694 0.2721 0.9733 0.020 Uiso 1 1 calc R U
C32 C 0.5616(3) 0.2394(2) 0.9261(2) 0.0211(7) Uani 1 1 d . .
H32A H 0.5548 0.2871 0.8871 0.025 Uiso 1 1 calc R U
H32B H 0.4937 0.1795 0.8971 0.025 Uiso 1 1 calc R U
C33 C 0.5284(4) 0.2873(3) 1.0114(3) 0.0291(8) Uani 1 1 d . .
H33A H 0.5896 0.3512 1.0370 0.035 Uiso 1 1 calc R U
H33B H 0.4327 0.3019 0.9996 0.035 Uiso 1 1 calc R U
C34 C 0.5460(4) 0.2194(3) 1.0759(3) 0.0304(8) Uani 1 1 d . .
H34A H 0.4772 0.1588 1.0534 0.036 Uiso 1 1 calc R U
H34B H 0.5300 0.2544 1.1316 0.036 Uiso 1 1 calc R U
C35 C 0.6894(4) 0.1892(3) 1.0914(2) 0.0243(7) Uani 1 1 d . .
H35A H 0.6967 0.1428 1.1315 0.029 Uiso 1 1 calc R U
H35B H 0.7577 0.2493 1.1190 0.029 Uiso 1 1 calc R U
C36 C 0.7212(3) 0.1387(2) 1.0060(2) 0.0201(7) Uani 1 1 d . .
H36A H 0.6571 0.0761 0.9802 0.024 Uiso 1 1 calc R U
H36B H 0.8157 0.1216 1.0176 0.024 Uiso 1 1 calc R U
C37 C -0.1267(5) -0.0705(3) 0.5386(3) 0.0419(10) Uani 1 1 d . .
H37A H -0.1411 -0.0797 0.4748 0.050 Uiso 1 1 calc R U
H37B H -0.1256 0.0013 0.5628 0.050 Uiso 1 1 calc R U
C19 C 0.9106(3) 0.1051(2) 0.8711(2) 0.0150(6) Uani 1 1 d . .
H19 H 0.8819 0.0550 0.9036 0.018 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 0.0000 0.0000 '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'
In In -0.7276 1.3100 '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_3
P1 Pt1 P2 175.89(3) .
P1 Pt1 Cl1 88.45(4) .
P2 Pt1 Cl1 87.93(4) .
P1 Pt1 In1 92.34(3) .
P2 Pt1 In1 91.27(3) .
Cl1 Pt1 In1 179.199(19) .
C6 C1 C2 112.0(3) .
C6 C1 P1 118.6(2) .
C2 C1 P1 111.3(2) .
C6 C1 H1 104.4 .
C2 C1 H1 104.4 .
P1 C1 H1 104.4 .
C1 P1 C7 108.66(15) .
C1 P1 C13 105.69(15) .
C7 P1 C13 103.67(14) .
C1 P1 Pt1 110.96(11) .
C7 P1 Pt1 116.56(11) .
C13 P1 Pt1 110.55(10) .
Cl2 In1 Pt1 128.00(3) .
Cl2 In1 Cl3 94.31(3) .
Pt1 In1 Cl3 122.28(3) .
Cl2 In1 Cl3 93.74(4) 2_767
Pt1 In1 Cl3 125.71(2) 2_767
Cl3 In1 Cl3 79.68(3) 2_767
In1 Cl3 In1 100.32(3) 2_767
C4 C3 C2 112.2(3) .
C4 C3 H3A 109.2 .
C2 C3 H3A 109.2 .
C4 C3 H3B 109.2 .
C2 C3 H3B 109.2 .
H3A C3 H3B 107.9 .
C25 P2 C19 104.49(14) .
C25 P2 C31 108.68(15) .
C19 P2 C31 103.50(14) .
C25 P2 Pt1 110.40(10) .
C19 P2 Pt1 110.71(10) .
C31 P2 Pt1 118.05(10) .
C1 C2 C3 110.5(3) .
C1 C2 H2A 109.5 .
C3 C2 H2A 109.5 .
C1 C2 H2B 109.5 .
C3 C2 H2B 109.5 .
H2A C2 H2B 108.1 .
C3 C4 C5 111.5(3) .
C3 C4 H4A 109.3 .
C5 C4 H4A 109.3 .
C3 C4 H4B 109.3 .
C5 C4 H4B 109.3 .
H4A C4 H4B 108.0 .
C1 C6 C5 109.4(3) .
C1 C6 H6A 109.8 .
C5 C6 H6A 109.8 .
C1 C6 H6B 109.8 .
C5 C6 H6B 109.8 .
H6A C6 H6B 108.2 .
C4 C5 C6 112.1(3) .
C4 C5 H5A 109.2 .
C6 C5 H5A 109.2 .
C4 C5 H5B 109.2 .
C6 C5 H5B 109.2 .
H5A C5 H5B 107.9 .
C10 C9 C8 111.3(3) .
C10 C9 H9A 109.4 .
C8 C9 H9A 109.4 .
C10 C9 H9B 109.4 .
C8 C9 H9B 109.4 .
H9A C9 H9B 108.0 .
C9 C8 C7 110.0(3) .
C9 C8 H8A 109.7 .
C7 C8 H8A 109.7 .
C9 C8 H8B 109.7 .
C7 C8 H8B 109.7 .
H8A C8 H8B 108.2 .
C12 C7 C8 108.9(3) .
C12 C7 P1 117.8(2) .
C8 C7 P1 115.2(2) .
C12 C7 H7 104.4 .
C8 C7 H7 104.4 .
P1 C7 H7 104.4 .
C10 C11 C12 111.3(3) .
C10 C11 H11A 109.4 .
C12 C11 H11A 109.4 .
C10 C11 H11B 109.4 .
C12 C11 H11B 109.4 .
H11A C11 H11B 108.0 .
C11 C10 C9 111.7(3) .
C11 C10 H10A 109.3 .
C9 C10 H10A 109.3 .
C11 C10 H10B 109.3 .
C9 C10 H10B 109.3 .
H10A C10 H10B 107.9 .
C7 C12 C11 109.3(3) .
C7 C12 H12A 109.8 .
C11 C12 H12A 109.8 .
C7 C12 H12B 109.8 .
C11 C12 H12B 109.8 .
H12A C12 H12B 108.3 .
C16 C15 C14 111.5(3) .
C16 C15 H15A 109.3 .
C14 C15 H15A 109.3 .
C16 C15 H15B 109.3 .
C14 C15 H15B 109.3 .
H15A C15 H15B 108.0 .
C15 C14 C13 112.2(3) .
C15 C14 H14A 109.2 .
C13 C14 H14A 109.2 .
C15 C14 H14B 109.2 .
C13 C14 H14B 109.2 .
H14A C14 H14B 107.9 .
C14 C13 C18 109.9(3) .
C14 C13 P1 112.0(2) .
C18 C13 P1 112.1(2) .
C14 C13 H13 107.6 .
C18 C13 H13 107.6 .
P1 C13 H13 107.6 .
C15 C16 C17 110.7(3) .
C15 C16 H16A 109.5 .
C17 C16 H16A 109.5 .
C15 C16 H16B 109.5 .
C17 C16 H16B 109.5 .
H16A C16 H16B 108.1 .
C17 C18 C13 111.2(3) .
C17 C18 H18A 109.4 .
C13 C18 H18A 109.4 .
C17 C18 H18B 109.4 .
C13 C18 H18B 109.4 .
H18A C18 H18B 108.0 .
C16 C17 C18 110.7(3) .
C16 C17 H17A 109.5 .
C18 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
C18 C17 H17B 109.5 .
H17A C17 H17B 108.1 .
C21 C20 C19 111.8(3) .
C21 C20 H20A 109.2 .
C19 C20 H20A 109.2 .
C21 C20 H20B 109.2 .
C19 C20 H20B 109.2 .
H20A C20 H20B 107.9 .
C22 C21 C20 110.9(3) .
C22 C21 H21A 109.5 .
C20 C21 H21A 109.5 .
C22 C21 H21B 109.5 .
C20 C21 H21B 109.5 .
H21A C21 H21B 108.1 .
C23 C22 C21 110.2(3) .
C23 C22 H22A 109.6 .
C21 C22 H22A 109.6 .
C23 C22 H22B 109.6 .
C21 C22 H22B 109.6 .
H22A C22 H22B 108.1 .
C22 C23 C24 111.1(3) .
C22 C23 H23A 109.4 .
C24 C23 H23A 109.4 .
C22 C23 H23B 109.4 .
C24 C23 H23B 109.4 .
H23A C23 H23B 108.0 .
C19 C24 C23 110.4(3) .
C19 C24 H24A 109.6 .
C23 C24 H24A 109.6 .
C19 C24 H24B 109.6 .
C23 C24 H24B 109.6 .
H24A C24 H24B 108.1 .
C30 C25 C26 111.4(3) .
C30 C25 P2 113.5(2) .
C26 C25 P2 116.5(2) .
C30 C25 H25 104.7 .
C26 C25 H25 104.7 .
P2 C25 H25 104.7 .
C27 C26 C25 109.4(3) .
C27 C26 H26A 109.8 .
C25 C26 H26A 109.8 .
C27 C26 H26B 109.8 .
C25 C26 H26B 109.8 .
H26A C26 H26B 108.2 .
C28 C27 C26 111.7(3) .
C28 C27 H27A 109.3 .
C26 C27 H27A 109.3 .
C28 C27 H27B 109.3 .
C26 C27 H27B 109.3 .
H27A C27 H27B 107.9 .
C27 C28 C29 111.7(3) .
C27 C28 H28A 109.3 .
C29 C28 H28A 109.3 .
C27 C28 H28B 109.3 .
C29 C28 H28B 109.3 .
H28A C28 H28B 107.9 .
C28 C29 C30 111.7(3) .
C28 C29 H29A 109.3 .
C30 C29 H29A 109.3 .
C28 C29 H29B 109.3 .
C30 C29 H29B 109.3 .
H29A C29 H29B 107.9 .
C25 C30 C29 109.1(3) .
C25 C30 H30A 109.9 .
C29 C30 H30A 109.9 .
C25 C30 H30B 109.9 .
C29 C30 H30B 109.9 .
H30A C30 H30B 108.3 .
C32 C31 C36 110.0(3) .
C32 C31 P2 112.2(2) .
C36 C31 P2 117.6(2) .
C32 C31 H31 105.3 .
C36 C31 H31 105.3 .
P2 C31 H31 105.3 .
C33 C32 C31 111.2(3) .
C33 C32 H32A 109.4 .
C31 C32 H32A 109.4 .
C33 C32 H32B 109.4 .
C31 C32 H32B 109.4 .
H32A C32 H32B 108.0 .
C34 C33 C32 111.5(3) .
C34 C33 H33A 109.3 .
C32 C33 H33A 109.3 .
C34 C33 H33B 109.3 .
C32 C33 H33B 109.3 .
H33A C33 H33B 108.0 .
C33 C34 C35 111.1(3) .
C33 C34 H34A 109.4 .
C35 C34 H34A 109.4 .
C33 C34 H34B 109.4 .
C35 C34 H34B 109.4 .
H34A C34 H34B 108.0 .
C34 C35 C36 111.2(3) .
C34 C35 H35A 109.4 .
C36 C35 H35A 109.4 .
C34 C35 H35B 109.4 .
C36 C35 H35B 109.4 .
H35A C35 H35B 108.0 .
C35 C36 C31 110.1(3) .
C35 C36 H36A 109.6 .
C31 C36 H36A 109.6 .
C35 C36 H36B 109.6 .
C31 C36 H36B 109.6 .
H36A C36 H36B 108.2 .
Cl4 C37 Cl5 112.8(2) .
Cl4 C37 H37A 109.0 .
Cl5 C37 H37A 109.0 .
Cl4 C37 H37B 109.0 .
Cl5 C37 H37B 109.0 .
H37A C37 H37B 107.8 .
C24 C19 C20 110.5(3) .
C24 C19 P2 114.4(2) .
C20 C19 P2 109.9(2) .
C24 C19 H19 107.2 .
C20 C19 H19 107.2 .
P2 C19 H19 107.2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P1 2.3409(9) .
Pt1 P2 2.3426(9) .
Pt1 Cl1 2.3983(10) .
Pt1 In1 2.5469(7) .
C1 C6 1.529(5) .
C1 C2 1.533(5) .
C1 P1 1.855(3) .
C1 H1 1.0000 .
P1 C7 1.856(3) .
P1 C13 1.858(3) .
In1 Cl2 2.3786(9) .
In1 Cl3 2.5809(10) .
In1 Cl3 2.5883(10) 2_767
Cl3 In1 2.5883(10) 2_767
C3 C4 1.501(6) .
C3 C2 1.542(5) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
P2 C25 1.851(3) .
P2 C19 1.853(3) .
P2 C31 1.861(3) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
Cl4 C37 1.735(5) .
C4 C5 1.513(5) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C6 C5 1.535(5) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
Cl5 C37 1.761(5) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C9 C10 1.523(5) .
C9 C8 1.537(4) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C8 C7 1.538(4) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C7 C12 1.537(4) .
C7 H7 1.0000 .
C11 C10 1.521(5) .
C11 C12 1.541(5) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C15 C16 1.524(5) .
C15 C14 1.529(5) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C14 C13 1.539(4) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C13 C18 1.540(4) .
C13 H13 1.0000 .
C16 C17 1.528(5) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C18 C17 1.536(5) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C20 C21 1.533(4) .
C20 C19 1.535(4) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.528(5) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.527(5) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.540(4) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C19 1.534(4) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C30 1.539(4) .
C25 C26 1.540(4) .
C25 H25 1.0000 .
C26 C27 1.532(5) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.523(5) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.530(5) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.546(5) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.540(4) .
C31 C36 1.544(4) .
C31 H31 1.0000 .
C32 C33 1.528(5) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.521(5) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.523(5) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.533(4) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C19 H19 1.0000 .
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
C6 C1 P1 C7 66.6(3)
C2 C1 P1 C7 -65.5(3)
C6 C1 P1 C13 -44.1(3)
C2 C1 P1 C13 -176.3(2)
C6 C1 P1 Pt1 -164.0(2)
C2 C1 P1 Pt1 63.9(3)
C6 C1 C2 C3 54.8(4)
P1 C1 C2 C3 -169.8(3)
C4 C3 C2 C1 -53.6(4)
C2 C3 C4 C5 54.4(4)
C2 C1 C6 C5 -56.0(4)
P1 C1 C6 C5 172.2(2)
C3 C4 C5 C6 -56.2(4)
C1 C6 C5 C4 56.4(4)
C10 C9 C8 C7 56.9(4)
C9 C8 C7 C12 -60.5(3)
C9 C8 C7 P1 164.5(2)
C1 P1 C7 C12 -59.3(3)
C13 P1 C7 C12 52.8(3)
Pt1 P1 C7 C12 174.5(2)
C1 P1 C7 C8 71.4(3)
C13 P1 C7 C8 -176.5(2)
Pt1 P1 C7 C8 -54.8(2)
C12 C11 C10 C9 54.6(4)
C8 C9 C10 C11 -53.8(4)
C8 C7 C12 C11 60.9(4)
P1 C7 C12 C11 -165.5(2)
C10 C11 C12 C7 -58.3(4)
C16 C15 C14 C13 -55.0(4)
C15 C14 C13 C18 54.4(4)
C15 C14 C13 P1 179.7(2)
C1 P1 C13 C14 171.8(2)
C7 P1 C13 C14 57.6(2)
Pt1 P1 C13 C14 -68.1(2)
C1 P1 C13 C18 -64.2(3)
C7 P1 C13 C18 -178.4(2)
Pt1 P1 C13 C18 56.0(3)
C14 C15 C16 C17 55.7(4)
C14 C13 C18 C17 -55.7(4)
P1 C13 C18 C17 179.1(3)
C15 C16 C17 C18 -57.1(4)
C13 C18 C17 C16 57.7(4)
C19 C20 C21 C22 55.9(4)
C20 C21 C22 C23 -56.6(4)
C21 C22 C23 C24 57.9(4)
C22 C23 C24 C19 -57.6(4)
C19 P2 C25 C30 -167.7(2)
C31 P2 C25 C30 82.3(3)
Pt1 P2 C25 C30 -48.7(3)
C19 P2 C25 C26 60.8(3)
C31 P2 C25 C26 -49.1(3)
Pt1 P2 C25 C26 179.9(2)
C30 C25 C26 C27 58.9(3)
P2 C25 C26 C27 -168.7(2)
C25 C26 C27 C28 -56.5(4)
C26 C27 C28 C29 55.0(4)
C27 C28 C29 C30 -54.5(4)
C26 C25 C30 C29 -58.2(4)
P2 C25 C30 C29 167.9(3)
C28 C29 C30 C25 55.5(4)
C25 P2 C31 C32 -53.8(2)
C19 P2 C31 C32 -164.4(2)
Pt1 P2 C31 C32 72.9(2)
C25 P2 C31 C36 75.3(3)
C19 P2 C31 C36 -35.4(3)
Pt1 P2 C31 C36 -158.0(2)
C36 C31 C32 C33 56.4(4)
P2 C31 C32 C33 -170.7(2)
C31 C32 C33 C34 -55.5(4)
C32 C33 C34 C35 55.2(4)
C33 C34 C35 C36 -56.6(4)
C34 C35 C36 C31 57.7(4)
C32 C31 C36 C35 -57.2(4)
P2 C31 C36 C35 172.7(2)
C23 C24 C19 C20 55.6(3)
C23 C24 C19 P2 -179.7(2)
C21 C20 C19 C24 -55.3(4)
C21 C20 C19 P2 177.5(2)
C25 P2 C19 C24 55.8(3)
C31 P2 C19 C24 169.5(2)
Pt1 P2 C19 C24 -63.1(2)
C25 P2 C19 C20 -179.2(2)
C31 P2 C19 C20 -65.5(2)
Pt1 P2 C19 C20 61.9(2)
