#------------------------------------------------------------------------------
#$Date: 2020-10-28 01:20:46 +0200 (Wed, 28 Oct 2020) $
#$Revision: 258616 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/37/4003700.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_4003700
loop_
_publ_author_name
'Liu, Sumeng'
'Zhang, Zhejun'
'Gray, Danielle'
'Zhu, Lingyang'
'Abelson, John R.'
'Girolami, Gregory S.'
_publ_section_title
;
 Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors:
 Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the
 Impact of Ligand Design on the Deposition Process
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.0c03226
_journal_year                    2020
_chemical_formula_sum            'C14 H26 Pt'
_chemical_formula_weight         389.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 91.6292(15)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.8662(3)
_cell_length_b                   21.5914(11)
_cell_length_c                   22.3599(10)
_cell_measurement_reflns_used    9566
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      56.851
_cell_measurement_theta_min      5.246
_cell_volume                     2830.9(2)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean MoK\a
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            64952
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.438
_diffrn_reflns_theta_min         1.822
_exptl_absorpt_coefficient_mu    9.884
_exptl_absorpt_correction_T_max  0.4568
_exptl_absorpt_correction_T_min  0.0379
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS V2014/4 (Krause et al., 2015)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.565
_exptl_crystal_size_mid          0.222
_exptl_crystal_size_min          0.112
_refine_diff_density_max         0.618
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       0.000117(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         7109
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.0157
_refine_ls_R_factor_gt           0.0142
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0060P)²+2.5571P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0290
_refine_ls_wR_factor_ref         0.0293
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6791
_reflns_number_total             7109
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cm0c03226_si_001.cif
_cod_data_source_block           cm76qsa
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4003700
_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   0.071
_shelx_estimated_absorpt_t_max   0.404
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.09662(2) 0.27868(2) 0.42502(2) 0.01161(2) Uani 1 1 d . . . . .
C1 C 0.1595(3) 0.19413(9) 0.46467(9) 0.0140(4) Uani 1 1 d . . . . .
H1A H 0.3261 0.1883 0.4704 0.017 Uiso 1 1 calc R U . . .
H1B H 0.0904 0.1932 0.5046 0.017 Uiso 1 1 calc R U . . .
C2 C 0.0609(3) 0.14125(10) 0.42628(9) 0.0151(4) Uani 1 1 d . . . . .
C3 C 0.1379(4) 0.07827(10) 0.45105(10) 0.0205(4) Uani 1 1 d . . . . .
H3A H 0.0782 0.0726 0.4912 0.031 Uiso 1 1 calc R U . . .
H3B H 0.3048 0.0766 0.4532 0.031 Uiso 1 1 calc R U . . .
H3C H 0.0797 0.0453 0.4246 0.031 Uiso 1 1 calc R U . . .
C4 C -0.2005(4) 0.14382(11) 0.42487(11) 0.0212(5) Uani 1 1 d . . . . .
H4A H -0.2614 0.1104 0.3994 0.032 Uiso 1 1 calc R U . . .
H4B H -0.2513 0.1839 0.4087 0.032 Uiso 1 1 calc R U . . .
H4C H -0.2556 0.1388 0.4656 0.032 Uiso 1 1 calc R U . . .
C5 C 0.1491(4) 0.15097(10) 0.36296(9) 0.0184(4) Uani 1 1 d . . . . .
H5A H 0.3146 0.1421 0.3629 0.022 Uiso 1 1 calc R U . . .
H5B H 0.0715 0.1216 0.3351 0.022 Uiso 1 1 calc R U . . .
C6 C 0.1074(4) 0.21641(11) 0.34134(9) 0.0194(4) Uani 1 1 d D . . . .
H6 H -0.041(3) 0.2259(12) 0.3207(10) 0.023 Uiso 1 1 d D U . . .
C7 C 0.2782(4) 0.25965(11) 0.33973(10) 0.0235(5) Uani 1 1 d D . . . .
H7A H 0.258(4) 0.2969(8) 0.3149(10) 0.028 Uiso 1 1 d D U . . .
H7B H 0.436(2) 0.2474(12) 0.3511(12) 0.028 Uiso 1 1 d D U . . .
C8 C 0.0383(3) 0.31386(9) 0.50866(9) 0.0141(4) Uani 1 1 d . . . . .
H8A H -0.1278 0.3143 0.5153 0.017 Uiso 1 1 calc R U . . .
H8B H 0.1112 0.2867 0.5393 0.017 Uiso 1 1 calc R U . . .
C9 C 0.1330(3) 0.37960(9) 0.51567(9) 0.0136(4) Uani 1 1 d . . . . .
C10 C 0.3947(3) 0.37854(11) 0.51673(10) 0.0202(4) Uani 1 1 d . . . . .
H10A H 0.4476 0.3594 0.4799 0.030 Uiso 1 1 calc R U . . .
H10B H 0.4508 0.3545 0.5513 0.030 Uiso 1 1 calc R U . . .
H10C H 0.4529 0.4210 0.5197 0.030 Uiso 1 1 calc R U . . .
C11 C 0.0530(4) 0.40891(10) 0.57395(10) 0.0187(4) Uani 1 1 d . . . . .
H11A H 0.1196 0.4503 0.5785 0.028 Uiso 1 1 calc R U . . .
H11B H 0.1020 0.3830 0.6079 0.028 Uiso 1 1 calc R U . . .
H11C H -0.1137 0.4121 0.5727 0.028 Uiso 1 1 calc R U . . .
C12 C 0.0432(4) 0.41693(10) 0.46145(9) 0.0174(4) Uani 1 1 d . . . . .
H12A H -0.1219 0.4247 0.4655 0.021 Uiso 1 1 calc R U . . .
H12B H 0.1216 0.4575 0.4606 0.021 Uiso 1 1 calc R U . . .
C13 C 0.0819(4) 0.38295(10) 0.40353(10) 0.0185(4) Uani 1 1 d D . . . .
H13 H 0.226(3) 0.3902(12) 0.3826(10) 0.022 Uiso 1 1 d D U . . .
C14 C -0.0905(4) 0.35289(11) 0.37284(11) 0.0237(5) Uani 1 1 d D . . . .
H14A H -0.074(4) 0.3416(12) 0.3302(5) 0.028 Uiso 1 1 d D U . . .
H14B H -0.245(2) 0.3533(13) 0.3895(11) 0.028 Uiso 1 1 d D U . . .
Pt2 Pt 0.46146(2) 0.90294(2) 0.31998(2) 0.01291(2) Uani 1 1 d . . . . .
C21 C 0.3384(3) 0.81918(10) 0.28916(9) 0.0150(4) Uani 1 1 d . . . . .
H21A H 0.1698 0.8207 0.2862 0.018 Uiso 1 1 calc R U . . .
H21B H 0.3958 0.8112 0.2487 0.018 Uiso 1 1 calc R U . . .
C22 C 0.4140(3) 0.76630(10) 0.33156(10) 0.0164(4) Uani 1 1 d . . . . .
C23 C 0.6724(4) 0.75716(11) 0.32970(10) 0.0205(5) Uani 1 1 d . . . . .
H23A H 0.7146 0.7461 0.2890 0.031 Uiso 1 1 calc R U . . .
H23B H 0.7185 0.7239 0.3573 0.031 Uiso 1 1 calc R U . . .
H23C H 0.7495 0.7957 0.3417 0.031 Uiso 1 1 calc R U . . .
C24 C 0.2966(4) 0.70550(11) 0.31390(12) 0.0257(5) Uani 1 1 d . . . . .
H24A H 0.3390 0.6939 0.2733 0.039 Uiso 1 1 calc R U . . .
H24B H 0.1308 0.7108 0.3151 0.039 Uiso 1 1 calc R U . . .
H24C H 0.3446 0.6728 0.3419 0.039 Uiso 1 1 calc R U . . .
C25 C 0.3465(4) 0.78611(11) 0.39461(10) 0.0215(5) Uani 1 1 d . . . . .
H25A H 0.1786 0.7841 0.3975 0.026 Uiso 1 1 calc R U . . .
H25B H 0.4142 0.7570 0.4243 0.026 Uiso 1 1 calc R U . . .
C26 C 0.4259(4) 0.85073(11) 0.40896(10) 0.0225(5) Uani 1 1 d D . . . .
H26 H 0.578(2) 0.8555(13) 0.4287(10) 0.027 Uiso 1 1 d D U . . .
C27 C 0.2815(5) 0.90021(12) 0.40773(11) 0.0305(6) Uani 1 1 d D . . . .
H27A H 0.322(5) 0.9392(8) 0.4284(12) 0.037 Uiso 1 1 d D U . . .
H27B H 0.118(2) 0.8950(13) 0.3955(13) 0.037 Uiso 1 1 d D U . . .
C28 C 0.5416(3) 0.92638(9) 0.23389(9) 0.0132(4) Uani 1 1 d . . . . .
H28A H 0.7073 0.9207 0.2285 0.016 Uiso 1 1 calc R U . . .
H28B H 0.4593 0.8987 0.2054 0.016 Uiso 1 1 calc R U . . .
C29 C 0.4763(3) 0.99389(10) 0.22051(9) 0.0140(4) Uani 1 1 d . . . . .
C30 C 0.5653(4) 1.01437(10) 0.15984(10) 0.0193(4) Uani 1 1 d . . . . .
H30A H 0.4939 0.9892 0.1280 0.029 Uiso 1 1 calc R U . . .
H30B H 0.7311 1.0089 0.1596 0.029 Uiso 1 1 calc R U . . .
H30C H 0.5277 1.0581 0.1531 0.029 Uiso 1 1 calc R U . . .
C31 C 0.2167(3) 1.00165(11) 0.22008(10) 0.0191(4) Uani 1 1 d . . . . .
H31A H 0.1776 1.0450 0.2121 0.029 Uiso 1 1 calc R U . . .
H31B H 0.1591 0.9895 0.2591 0.029 Uiso 1 1 calc R U . . .
H31C H 0.1474 0.9754 0.1888 0.029 Uiso 1 1 calc R U . . .
C32 C 0.5858(4) 1.03318(10) 0.27090(10) 0.0179(4) Uani 1 1 d . . . . .
H32A H 0.7527 1.0351 0.2657 0.022 Uiso 1 1 calc R U . . .
H32B H 0.5254 1.0759 0.2684 0.022 Uiso 1 1 calc R U . . .
C33 C 0.5378(4) 1.00656(10) 0.33159(10) 0.0216(5) Uani 1 1 d D . . . .
H33 H 0.395(3) 1.0206(12) 0.3500(11) 0.026 Uiso 1 1 d D U . . .
C34 C 0.6957(5) 0.97310(12) 0.36358(11) 0.0286(5) Uani 1 1 d D . . . .
H34A H 0.679(5) 0.9684(13) 0.4069(5) 0.034 Uiso 1 1 d D U . . .
H34B H 0.850(3) 0.9661(13) 0.3486(12) 0.034 Uiso 1 1 d D 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'
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
C8 Pt1 C1 88.18(8) . . ?
C8 Pt1 C7 159.06(9) . . ?
C1 Pt1 C7 96.88(9) . . ?
C8 Pt1 C14 96.74(9) . . ?
C1 Pt1 C14 159.07(9) . . ?
C7 Pt1 C14 85.77(9) . . ?
C8 Pt1 C13 79.78(8) . . ?
C1 Pt1 C13 164.17(8) . . ?
C7 Pt1 C13 91.00(8) . . ?
C14 Pt1 C13 34.99(8) . . ?
C8 Pt1 C6 164.22(8) . . ?
C1 Pt1 C6 79.85(8) . . ?
C7 Pt1 C6 35.00(8) . . ?
C14 Pt1 C6 91.07(8) . . ?
C13 Pt1 C6 113.72(8) . . ?
C2 C1 Pt1 111.07(13) . . ?
C2 C1 H1A 109.4 . . ?
Pt1 C1 H1A 109.4 . . ?
C2 C1 H1B 109.4 . . ?
Pt1 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
C3 C2 C1 110.88(17) . . ?
C3 C2 C4 108.89(17) . . ?
C1 C2 C4 110.22(17) . . ?
C3 C2 C5 110.57(17) . . ?
C1 C2 C5 106.45(17) . . ?
C4 C2 C5 109.81(18) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C2 111.54(17) . . ?
C6 C5 H5A 109.3 . . ?
C2 C5 H5A 109.3 . . ?
C6 C5 H5B 109.3 . . ?
C2 C5 H5B 109.3 . . ?
H5A C5 H5B 108.0 . . ?
C7 C6 C5 122.2(2) . . ?
C7 C6 Pt1 70.20(13) . . ?
C5 C6 Pt1 107.07(13) . . ?
C7 C6 H6 118.6(15) . . ?
C5 C6 H6 118.2(15) . . ?
Pt1 C6 H6 102.3(15) . . ?
C6 C7 Pt1 74.80(13) . . ?
C6 C7 H7A 119.6(16) . . ?
Pt1 C7 H7A 106.0(16) . . ?
C6 C7 H7B 119.4(16) . . ?
Pt1 C7 H7B 107.0(16) . . ?
H7A C7 H7B 118(2) . . ?
C9 C8 Pt1 111.50(13) . . ?
C9 C8 H8A 109.3 . . ?
Pt1 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
Pt1 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C8 C9 C11 110.52(17) . . ?
C8 C9 C10 110.34(17) . . ?
C11 C9 C10 108.85(17) . . ?
C8 C9 C12 106.88(17) . . ?
C11 C9 C12 110.33(17) . . ?
C10 C9 C12 109.90(17) . . ?
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 . . ?
C13 C12 C9 111.42(17) . . ?
C13 C12 H12A 109.3 . . ?
C9 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
C9 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C12 122.2(2) . . ?
C14 C13 Pt1 70.37(13) . . ?
C12 C13 Pt1 107.54(14) . . ?
C14 C13 H13 117.8(15) . . ?
C12 C13 H13 118.6(15) . . ?
Pt1 C13 H13 103.1(15) . . ?
C13 C14 Pt1 74.65(13) . . ?
C13 C14 H14A 120.6(16) . . ?
Pt1 C14 H14A 105.3(16) . . ?
C13 C14 H14B 118.5(16) . . ?
Pt1 C14 H14B 104.4(16) . . ?
H14A C14 H14B 119(2) . . ?
C28 Pt2 C21 89.44(8) . . ?
C28 Pt2 C34 94.98(9) . . ?
C21 Pt2 C34 160.21(9) . . ?
C28 Pt2 C27 160.98(9) . . ?
C21 Pt2 C27 95.73(9) . . ?
C34 Pt2 C27 86.32(11) . . ?
C28 Pt2 C33 79.46(8) . . ?
C21 Pt2 C33 163.68(8) . . ?
C34 Pt2 C33 34.86(9) . . ?
C27 Pt2 C33 91.24(9) . . ?
C28 Pt2 C26 163.33(8) . . ?
C21 Pt2 C26 79.60(8) . . ?
C34 Pt2 C26 91.40(9) . . ?
C27 Pt2 C26 34.80(8) . . ?
C33 Pt2 C26 113.69(8) . . ?
C22 C21 Pt2 110.67(14) . . ?
C22 C21 H21A 109.5 . . ?
Pt2 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
Pt2 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C24 C22 C23 108.75(18) . . ?
C24 C22 C25 110.50(18) . . ?
C23 C22 C25 110.01(18) . . ?
C24 C22 C21 110.94(18) . . ?
C23 C22 C21 110.29(17) . . ?
C25 C22 C21 106.33(17) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C22 111.61(18) . . ?
C26 C25 H25A 109.3 . . ?
C22 C25 H25A 109.3 . . ?
C26 C25 H25B 109.3 . . ?
C22 C25 H25B 109.3 . . ?
H25A C25 H25B 108.0 . . ?
C27 C26 C25 122.3(2) . . ?
C27 C26 Pt2 70.74(13) . . ?
C25 C26 Pt2 107.77(14) . . ?
C27 C26 H26 118.6(16) . . ?
C25 C26 H26 117.5(16) . . ?
Pt2 C26 H26 103.4(15) . . ?
C26 C27 Pt2 74.46(13) . . ?
C26 C27 H27A 121.2(18) . . ?
Pt2 C27 H27A 105.8(17) . . ?
C26 C27 H27B 120.6(17) . . ?
Pt2 C27 H27B 103.6(18) . . ?
H27A C27 H27B 116(2) . . ?
C29 C28 Pt2 110.71(13) . . ?
C29 C28 H28A 109.5 . . ?
Pt2 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
Pt2 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
C31 C29 C30 109.05(17) . . ?
C31 C29 C28 110.34(17) . . ?
C30 C29 C28 110.94(17) . . ?
C31 C29 C32 109.82(17) . . ?
C30 C29 C32 110.13(17) . . ?
C28 C29 C32 106.54(16) . . ?
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 . . ?
C33 C32 C29 111.39(17) . . ?
C33 C32 H32A 109.3 . . ?
C29 C32 H32A 109.3 . . ?
C33 C32 H32B 109.3 . . ?
C29 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
C34 C33 C32 122.2(2) . . ?
C34 C33 Pt2 70.73(14) . . ?
C32 C33 Pt2 108.09(14) . . ?
C34 C33 H33 121.0(16) . . ?
C32 C33 H33 116.0(16) . . ?
Pt2 C33 H33 100.5(16) . . ?
C33 C34 Pt2 74.42(14) . . ?
C33 C34 H34A 119.0(17) . . ?
Pt2 C34 H34A 106.3(17) . . ?
C33 C34 H34B 121.4(17) . . ?
Pt2 C34 H34B 107.7(17) . . ?
H34A C34 H34B 116(2) . . ?
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 C8 2.056(2) . ?
Pt1 C1 2.058(2) . ?
Pt1 C7 2.249(2) . ?
Pt1 C14 2.250(2) . ?
Pt1 C13 2.303(2) . ?
Pt1 C6 2.306(2) . ?
C1 C2 1.532(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.531(3) . ?
C2 C4 1.534(3) . ?
C2 C5 1.535(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.511(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.371(3) . ?
C6 H6 0.995(10) . ?
C7 H7A 0.982(10) . ?
C7 H7B 0.987(10) . ?
C8 C9 1.531(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C11 1.534(3) . ?
C9 C10 1.535(3) . ?
C9 C12 1.536(3) . ?
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 C13 1.511(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.370(3) . ?
C13 H13 0.991(10) . ?
C14 H14A 0.991(10) . ?
C14 H14B 0.989(10) . ?
Pt2 C28 2.0576(19) . ?
Pt2 C21 2.059(2) . ?
Pt2 C34 2.249(2) . ?
Pt2 C27 2.255(2) . ?
Pt2 C33 2.295(2) . ?
Pt2 C26 2.301(2) . ?
C21 C22 1.541(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C24 1.529(3) . ?
C22 C23 1.530(3) . ?
C22 C25 1.536(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.503(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.363(3) . ?
C26 H26 0.992(10) . ?
C27 H27A 0.987(10) . ?
C27 H27B 0.995(10) . ?
C28 C29 1.534(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C31 1.532(3) . ?
C29 C30 1.532(3) . ?
C29 C32 1.536(3) . ?
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 C33 1.508(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.362(3) . ?
C33 H33 0.991(10) . ?
C34 H34A 0.982(10) . ?
C34 H34B 0.987(10) . ?
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 C3 171.63(13) . . . . ?
Pt1 C1 C2 C4 -67.72(19) . . . . ?
Pt1 C1 C2 C5 51.32(18) . . . . ?
C3 C2 C5 C6 -171.09(18) . . . . ?
C1 C2 C5 C6 -50.6(2) . . . . ?
C4 C2 C5 C6 68.7(2) . . . . ?
C2 C5 C6 C7 103.8(2) . . . . ?
C2 C5 C6 Pt1 26.8(2) . . . . ?
C5 C6 C7 Pt1 -98.15(19) . . . . ?
Pt1 C8 C9 C11 170.43(14) . . . . ?
Pt1 C8 C9 C10 -69.13(19) . . . . ?
Pt1 C8 C9 C12 50.34(18) . . . . ?
C8 C9 C12 C13 -49.3(2) . . . . ?
C11 C9 C12 C13 -169.50(18) . . . . ?
C10 C9 C12 C13 70.5(2) . . . . ?
C9 C12 C13 C14 103.5(2) . . . . ?
C9 C12 C13 Pt1 26.1(2) . . . . ?
C12 C13 C14 Pt1 -98.8(2) . . . . ?
Pt2 C21 C22 C24 172.09(15) . . . . ?
Pt2 C21 C22 C23 -67.3(2) . . . . ?
Pt2 C21 C22 C25 51.90(19) . . . . ?
C24 C22 C25 C26 -170.10(19) . . . . ?
C23 C22 C25 C26 69.8(2) . . . . ?
C21 C22 C25 C26 -49.6(2) . . . . ?
C22 C25 C26 C27 103.2(2) . . . . ?
C22 C25 C26 Pt2 25.1(2) . . . . ?
C25 C26 C27 Pt2 -99.3(2) . . . . ?
Pt2 C28 C29 C31 -66.92(19) . . . . ?
Pt2 C28 C29 C30 172.11(14) . . . . ?
Pt2 C28 C29 C32 52.24(18) . . . . ?
C31 C29 C32 C33 70.8(2) . . . . ?
C30 C29 C32 C33 -169.06(18) . . . . ?
C28 C29 C32 C33 -48.7(2) . . . . ?
C29 C32 C33 C34 101.9(2) . . . . ?
C29 C32 C33 Pt2 23.7(2) . . . . ?
C32 C33 C34 Pt2 -99.7(2) . . . . ?
