#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:01:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179713 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/15/7001505.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_7001505
loop_
_publ_author_name
'Bender, Robert'
'Okio, Coco'
'Welter, Richard'
'Braunstein, Pierre'
_publ_section_title
;
 Di- and trinuclear phosphido-bridged platinum complexes. Crystal
 structures of [Pt{CH2=CHC(O)OMe}(PPh3)2],
 trans-[Pt2(μ-PPh2)2I2(PPh3)2] and
 cis,cis,cis-[Pt3(μ-I)2(μ-PPh2)2Cl0.5I1.5(PPh3)2]
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              4901
_journal_page_last               4907
_journal_paper_doi               10.1039/b901563a
_journal_year                    2009
_chemical_formula_moiety         'C40 H36 O2 P2 Pt, C H2 Cl2'
_chemical_formula_sum            'C41 H38 Cl2 O2 P2 Pt'
_chemical_formula_weight         890.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.27(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.160(2)
_cell_length_b                   14.283(2)
_cell_length_c                   21.322(2)
_cell_measurement_reflns_used    19524
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     3703.2(9)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10820
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    4.054
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1768
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.608
_refine_diff_density_min         -2.090
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         10819
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0192P)²+0.3996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                7538
_reflns_number_total             10819
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901563a.txt
_cod_data_source_block           pt_acrylate
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7001505
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.438999(8) 0.749278(7) 0.222026(4) 0.01807(4) Uani 1 1 d . . .
P1 P 0.26735(6) 0.80310(5) 0.20129(3) 0.02015(14) Uani 1 1 d . . .
P2 P 0.53367(6) 0.76011(4) 0.12970(3) 0.01863(14) Uani 1 1 d . . .
O1 O 0.73376(18) 0.72992(15) 0.28562(11) 0.0325(5) Uani 1 1 d . . .
O2 O 0.62831(18) 0.83717(15) 0.33416(10) 0.0364(5) Uani 1 1 d . . .
C1 C 0.1869(2) 0.84972(19) 0.26716(13) 0.0235(6) Uani 1 1 d . . .
C2 C 0.1837(3) 0.7984(2) 0.32241(15) 0.0335(7) Uani 1 1 d . . .
H2 H 0.2264 0.7430 0.3262 0.040 Uiso 1 1 calc . . .
C3 C 0.1187(3) 0.8275(3) 0.37228(15) 0.0407(8) Uani 1 1 d . . .
H3 H 0.1172 0.7918 0.4099 0.049 Uiso 1 1 calc . . .
C4 C 0.0568(3) 0.9074(3) 0.36743(16) 0.0402(8) Uani 1 1 d . . .
H4 H 0.0121 0.9266 0.4015 0.048 Uiso 1 1 calc . . .
C5 C 0.0592(3) 0.9600(2) 0.31299(17) 0.0376(8) Uani 1 1 d . . .
H5 H 0.0166 1.0155 0.3097 0.045 Uiso 1 1 calc . . .
C6 C 0.1244(3) 0.9311(2) 0.26291(15) 0.0314(7) Uani 1 1 d . . .
H6 H 0.1262 0.9674 0.2256 0.038 Uiso 1 1 calc . . .
C7 C 0.1718(2) 0.7134(2) 0.17279(13) 0.0243(6) Uani 1 1 d . . .
C8 C 0.2118(3) 0.6233(2) 0.16465(16) 0.0328(7) Uani 1 1 d . . .
H8 H 0.2878 0.6111 0.1709 0.039 Uiso 1 1 calc . . .
C9 C 0.1418(3) 0.5506(2) 0.14750(19) 0.0454(9) Uani 1 1 d . . .
H9 H 0.1697 0.4890 0.1423 0.054 Uiso 1 1 calc . . .
C10 C 0.0310(3) 0.5685(3) 0.1381(2) 0.0513(10) Uani 1 1 d . . .
H10 H -0.0173 0.5193 0.1263 0.062 Uiso 1 1 calc . . .
C11 C -0.0092(3) 0.6590(3) 0.14593(19) 0.0477(9) Uani 1 1 d . . .
H11 H -0.0850 0.6715 0.1391 0.057 Uiso 1 1 calc . . .
C12 C 0.0606(3) 0.7306(2) 0.16360(18) 0.0343(8) Uani 1 1 d . . .
H12 H 0.0323 0.7919 0.1695 0.041 Uiso 1 1 calc . . .
C13 C 0.2617(2) 0.9021(2) 0.14720(14) 0.0255(6) Uani 1 1 d . . .
C14 C 0.1989(3) 0.9071(2) 0.09397(15) 0.0376(8) Uani 1 1 d . . .
H14 H 0.1539 0.8556 0.0822 0.045 Uiso 1 1 calc . . .
C15 C 0.2009(4) 0.9877(3) 0.05691(17) 0.0520(11) Uani 1 1 d . . .
H15 H 0.1572 0.9908 0.0199 0.062 Uiso 1 1 calc . . .
C16 C 0.2653(4) 1.0623(3) 0.07353(19) 0.0534(11) Uani 1 1 d . . .
H16 H 0.2651 1.1173 0.0485 0.064 Uiso 1 1 calc . . .
C17 C 0.3301(3) 1.0578(2) 0.12604(19) 0.0459(10) Uani 1 1 d . . .
H17 H 0.3755 1.1094 0.1371 0.055 Uiso 1 1 calc . . .
C18 C 0.3298(3) 0.9780(2) 0.16309(16) 0.0352(7) Uani 1 1 d . . .
H18 H 0.3756 0.9746 0.1992 0.042 Uiso 1 1 calc . . .
C19 C 0.4608(2) 0.79021(19) 0.05734(12) 0.0211(5) Uani 1 1 d . . .
C20 C 0.3705(3) 0.7345(2) 0.03996(15) 0.0278(7) Uani 1 1 d . . .
H20 H 0.3489 0.6841 0.0662 0.033 Uiso 1 1 calc . . .
C21 C 0.3128(3) 0.7520(2) -0.01452(17) 0.0355(8) Uani 1 1 d . . .
H21 H 0.2530 0.7127 -0.0261 0.043 Uiso 1 1 calc . . .
C22 C 0.3416(3) 0.8259(2) -0.05220(15) 0.0384(8) Uani 1 1 d . . .
H22 H 0.3007 0.8387 -0.0893 0.046 Uiso 1 1 calc . . .
C23 C 0.4298(3) 0.8815(2) -0.03614(15) 0.0387(8) Uani 1 1 d . . .
H23 H 0.4500 0.9324 -0.0624 0.046 Uiso 1 1 calc . . .
C24 C 0.4895(3) 0.8637(2) 0.01813(14) 0.0295(7) Uani 1 1 d . . .
H24 H 0.5506 0.9023 0.0286 0.035 Uiso 1 1 calc . . .
C25 C 0.6459(2) 0.84526(19) 0.13358(13) 0.0221(6) Uani 1 1 d . . .
C26 C 0.6357(3) 0.9227(2) 0.17352(14) 0.0281(6) Uani 1 1 d . . .
H26 H 0.5716 0.9300 0.1983 0.034 Uiso 1 1 calc . . .
C27 C 0.7194(3) 0.9886(2) 0.17673(16) 0.0378(8) Uani 1 1 d . . .
H27 H 0.7117 1.0413 0.2035 0.045 Uiso 1 1 calc . . .
C28 C 0.8131(3) 0.9787(2) 0.14176(16) 0.0385(8) Uani 1 1 d . . .
H28 H 0.8696 1.0245 0.1439 0.046 Uiso 1 1 calc . . .
C29 C 0.8245(3) 0.9011(2) 0.10318(15) 0.0346(7) Uani 1 1 d . . .
H29 H 0.8898 0.8934 0.0795 0.042 Uiso 1 1 calc . . .
C30 C 0.7423(2) 0.8351(2) 0.09874(14) 0.0280(6) Uani 1 1 d . . .
H30 H 0.7512 0.7825 0.0719 0.034 Uiso 1 1 calc . . .
C31 C 0.6070(2) 0.65252(18) 0.10669(13) 0.0202(6) Uani 1 1 d . . .
C32 C 0.5986(2) 0.6119(2) 0.04766(13) 0.0266(6) Uani 1 1 d . . .
H32 H 0.5525 0.6393 0.0166 0.032 Uiso 1 1 calc . . .
C33 C 0.6576(3) 0.5314(2) 0.03400(15) 0.0353(8) Uani 1 1 d . . .
H33 H 0.6515 0.5038 -0.0064 0.042 Uiso 1 1 calc . . .
C34 C 0.7251(3) 0.4910(2) 0.07852(17) 0.0354(8) Uani 1 1 d . . .
H34 H 0.7651 0.4358 0.0690 0.042 Uiso 1 1 calc . . .
C35 C 0.7340(3) 0.5315(2) 0.13720(16) 0.0313(7) Uani 1 1 d . . .
H35 H 0.7808 0.5043 0.1680 0.038 Uiso 1 1 calc . . .
C36 C 0.6753(2) 0.6112(2) 0.15111(14) 0.0252(6) Uani 1 1 d . . .
H36 H 0.6816 0.6383 0.1917 0.030 Uiso 1 1 calc . . .
C37 C 0.4399(3) 0.7134(2) 0.31747(14) 0.0310(7) Uani 1 1 d . . .
H37A H 0.4266 0.7665 0.3432 0.037 Uiso 1 1 calc . . .
H37B H 0.3819 0.6709 0.3084 0.037 Uiso 1 1 calc . . .
C38 C 0.5478(2) 0.6974(2) 0.29235(14) 0.0267(6) Uani 1 1 d . . .
H38 H 0.5699 0.6303 0.2879 0.032 Uiso 1 1 calc . . .
C39 C 0.6370(3) 0.7632(2) 0.30655(15) 0.0290(7) Uani 1 1 d . . .
C40 C 0.8273(3) 0.7923(3) 0.29190(18) 0.0419(8) Uani 1 1 d . . .
H40A H 0.8932 0.7614 0.2755 0.063 Uiso 1 1 calc . . .
H40B H 0.8386 0.8077 0.3363 0.063 Uiso 1 1 calc . . .
H40C H 0.8133 0.8498 0.2682 0.063 Uiso 1 1 calc . . .
Cl1 Cl 0.87852(11) 0.64995(12) -0.02069(6) 0.0935(5) Uani 1 1 d . . .
Cl2 Cl 1.01433(11) 0.81544(11) -0.02678(5) 0.0751(4) Uani 1 1 d . . .
C41 C 1.0125(3) 0.6917(4) -0.02646(18) 0.0579(12) Uani 1 1 d . . .
H41A H 1.0462 0.6680 -0.0655 0.069 Uiso 1 1 calc . . .
H41B H 1.0566 0.6683 0.0094 0.069 Uiso 1 1 calc . . .
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'
Pt Pt -1.7033 8.3905 '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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
C37 Pt C38 39.76(12) . . ?
C37 Pt P1 105.82(10) . . ?
C38 Pt P1 145.55(9) . . ?
C37 Pt P2 148.17(9) . . ?
C38 Pt P2 108.41(8) . . ?
P1 Pt P2 106.00(4) . . ?
C13 P1 C7 108.08(15) . . ?
C13 P1 C1 100.57(13) . . ?
C7 P1 C1 99.65(13) . . ?
C13 P1 Pt 114.68(10) . . ?
C7 P1 Pt 114.19(10) . . ?
C1 P1 Pt 117.81(10) . . ?
C19 P2 C25 103.90(13) . . ?
C19 P2 C31 101.80(12) . . ?
C25 P2 C31 101.78(13) . . ?
C19 P2 Pt 119.88(9) . . ?
C25 P2 Pt 112.58(10) . . ?
C31 P2 Pt 114.72(9) . . ?
C39 O1 C40 116.0(3) . . ?
C2 C1 C6 118.6(3) . . ?
C2 C1 P1 118.3(2) . . ?
C6 C1 P1 123.0(2) . . ?
C1 C2 C3 120.6(3) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 120.3(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 119.8(3) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 120.6(3) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C8 C7 C12 119.2(3) . . ?
C8 C7 P1 117.9(2) . . ?
C12 C7 P1 122.7(2) . . ?
C7 C8 C9 120.8(3) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C10 C9 C8 119.5(3) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 119.8(3) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C7 120.3(3) . . ?
C11 C12 H12 119.8 . . ?
C7 C12 H12 119.8 . . ?
C14 C13 C18 119.1(3) . . ?
C14 C13 P1 125.7(2) . . ?
C18 C13 P1 115.2(2) . . ?
C13 C14 C15 120.1(3) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 120.4(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.2(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 120.1(4) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 120.0(3) . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C24 C19 C20 117.9(3) . . ?
C24 C19 P2 124.4(2) . . ?
C20 C19 P2 117.7(2) . . ?
C21 C20 C19 121.0(3) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C22 C21 C20 120.1(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.9(3) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 120.4(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 120.7(3) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?
C30 C25 C26 118.8(3) . . ?
C30 C25 P2 122.3(2) . . ?
C26 C25 P2 118.9(2) . . ?
C27 C26 C25 119.9(3) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C28 C27 C26 120.9(3) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 119.3(3) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C30 C29 C28 120.9(3) . . ?
C30 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C29 C30 C25 120.1(3) . . ?
C29 C30 H30 119.9 . . ?
C25 C30 H30 119.9 . . ?
C36 C31 C32 118.8(3) . . ?
C36 C31 P2 117.4(2) . . ?
C32 C31 P2 123.7(2) . . ?
C33 C32 C31 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C34 C33 C32 120.6(3) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C33 C34 C35 119.5(3) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C36 C35 C34 120.1(3) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C35 C36 C31 120.9(3) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
C38 C37 Pt 71.23(17) . . ?
C38 C37 H37A 120.0 . . ?
Pt C37 H37A 111.4 . . ?
C38 C37 H37B 120.0 . . ?
Pt C37 H37B 87.6 . . ?
H37A C37 H37B 120.0 . . ?
C37 C38 C39 119.8(3) . . ?
C37 C38 Pt 69.01(17) . . ?
C39 C38 Pt 112.3(2) . . ?
C37 C38 H38 115.8 . . ?
C39 C38 H38 115.8 . . ?
Pt C38 H38 115.8 . . ?
O2 C39 O1 123.0(3) . . ?
O2 C39 C38 126.3(3) . . ?
O1 C39 C38 110.6(3) . . ?
O1 C40 H40A 109.5 . . ?
O1 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O1 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Cl1 C41 Cl2 110.8(2) . . ?
Cl1 C41 H41A 109.5 . . ?
Cl2 C41 H41A 109.5 . . ?
Cl1 C41 H41B 109.5 . . ?
Cl2 C41 H41B 109.5 . . ?
H41A C41 H41B 108.1 . . ?
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
Pt C37 2.099(3) . ?
Pt C38 2.128(3) . ?
Pt P1 2.2659(9) . ?
Pt P2 2.2903(11) . ?
P1 C13 1.826(3) . ?
P1 C7 1.831(3) . ?
P1 C1 1.840(3) . ?
P2 C19 1.827(3) . ?
P2 C25 1.830(3) . ?
P2 C31 1.845(3) . ?
O1 C39 1.347(4) . ?
O1 C40 1.450(4) . ?
O2 C39 1.214(3) . ?
C1 C2 1.388(4) . ?
C1 C6 1.391(4) . ?
C2 C3 1.392(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.371(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.387(4) . ?
C7 C12 1.387(4) . ?
C8 C9 1.391(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.384(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.391(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.380(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.367(4) . ?
C13 C18 1.403(4) . ?
C14 C15 1.397(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.367(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.368(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.388(4) . ?
C19 C20 1.404(4) . ?
C20 C21 1.377(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.374(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.377(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.399(4) . ?
C25 C26 1.401(4) . ?
C26 C27 1.388(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.371(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.376(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.388(4) . ?
C31 C32 1.389(4) . ?
C32 C33 1.387(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.377(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.382(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.377(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.438(4) . ?
C37 H37A 0.9500 . ?
C37 H37B 0.9500 . ?
C38 C39 1.466(4) . ?
C38 H38 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
Cl1 C41 1.740(4) . ?
Cl2 C41 1.767(6) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
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
C37 Pt P1 C13 141.88(14) . . . . ?
C38 Pt P1 C13 139.65(18) . . . . ?
P2 Pt P1 C13 -37.50(11) . . . . ?
C37 Pt P1 C7 -92.60(14) . . . . ?
C38 Pt P1 C7 -94.83(18) . . . . ?
P2 Pt P1 C7 88.02(11) . . . . ?
C37 Pt P1 C1 23.81(14) . . . . ?
C38 Pt P1 C1 21.57(18) . . . . ?
P2 Pt P1 C1 -155.57(10) . . . . ?
C37 Pt P2 C19 172.7(2) . . . . ?
C38 Pt P2 C19 173.27(13) . . . . ?
P1 Pt P2 C19 -8.43(11) . . . . ?
C37 Pt P2 C25 -64.7(2) . . . . ?
C38 Pt P2 C25 -64.11(13) . . . . ?
P1 Pt P2 C25 114.19(10) . . . . ?
C37 Pt P2 C31 51.1(2) . . . . ?
C38 Pt P2 C31 51.67(13) . . . . ?
P1 Pt P2 C31 -130.04(10) . . . . ?
C13 P1 C1 C2 -171.8(3) . . . . ?
C7 P1 C1 C2 77.6(3) . . . . ?
Pt P1 C1 C2 -46.5(3) . . . . ?
C13 P1 C1 C6 11.8(3) . . . . ?
C7 P1 C1 C6 -98.8(3) . . . . ?
Pt P1 C1 C6 137.2(2) . . . . ?
C6 C1 C2 C3 0.5(5) . . . . ?
P1 C1 C2 C3 -176.0(3) . . . . ?
C1 C2 C3 C4 0.0(5) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
C3 C4 C5 C6 0.4(5) . . . . ?
C2 C1 C6 C5 -0.6(5) . . . . ?
P1 C1 C6 C5 175.7(2) . . . . ?
C4 C5 C6 C1 0.2(5) . . . . ?
C13 P1 C7 C8 127.1(3) . . . . ?
C1 P1 C7 C8 -128.4(3) . . . . ?
Pt P1 C7 C8 -1.8(3) . . . . ?
C13 P1 C7 C12 -57.7(3) . . . . ?
C1 P1 C7 C12 46.8(3) . . . . ?
Pt P1 C7 C12 173.3(3) . . . . ?
C12 C7 C8 C9 0.0(5) . . . . ?
P1 C7 C8 C9 175.3(3) . . . . ?
C7 C8 C9 C10 0.4(6) . . . . ?
C8 C9 C10 C11 -0.1(6) . . . . ?
C9 C10 C11 C12 -0.6(7) . . . . ?
C10 C11 C12 C7 1.0(6) . . . . ?
C8 C7 C12 C11 -0.7(5) . . . . ?
P1 C7 C12 C11 -175.8(3) . . . . ?
C7 P1 C13 C14 -1.4(3) . . . . ?
C1 P1 C13 C14 -105.3(3) . . . . ?
Pt P1 C13 C14 127.2(3) . . . . ?
C7 P1 C13 C18 179.1(2) . . . . ?
C1 P1 C13 C18 75.2(2) . . . . ?
Pt P1 C13 C18 -52.2(2) . . . . ?
C18 C13 C14 C15 -1.5(5) . . . . ?
P1 C13 C14 C15 179.1(3) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C14 C15 C16 C17 1.3(6) . . . . ?
C15 C16 C17 C18 -0.8(6) . . . . ?
C16 C17 C18 C13 -0.8(5) . . . . ?
C14 C13 C18 C17 2.0(5) . . . . ?
P1 C13 C18 C17 -178.5(2) . . . . ?
C25 P2 C19 C24 -1.2(3) . . . . ?
C31 P2 C19 C24 -106.7(3) . . . . ?
Pt P2 C19 C24 125.6(2) . . . . ?
C25 P2 C19 C20 178.1(2) . . . . ?
C31 P2 C19 C20 72.6(2) . . . . ?
Pt P2 C19 C20 -55.1(2) . . . . ?
C24 C19 C20 C21 0.5(4) . . . . ?
P2 C19 C20 C21 -178.9(2) . . . . ?
C19 C20 C21 C22 -1.4(5) . . . . ?
C20 C21 C22 C23 1.4(5) . . . . ?
C21 C22 C23 C24 -0.4(5) . . . . ?
C22 C23 C24 C19 -0.5(5) . . . . ?
C20 C19 C24 C23 0.5(4) . . . . ?
P2 C19 C24 C23 179.8(2) . . . . ?
C19 P2 C25 C30 -79.6(3) . . . . ?
C31 P2 C25 C30 25.9(3) . . . . ?
Pt P2 C25 C30 149.2(2) . . . . ?
C19 P2 C25 C26 101.4(2) . . . . ?
C31 P2 C25 C26 -153.2(2) . . . . ?
Pt P2 C25 C26 -29.9(3) . . . . ?
C30 C25 C26 C27 1.5(4) . . . . ?
P2 C25 C26 C27 -179.4(2) . . . . ?
C25 C26 C27 C28 -0.7(5) . . . . ?
C26 C27 C28 C29 -0.7(5) . . . . ?
C27 C28 C29 C30 1.2(5) . . . . ?
C28 C29 C30 C25 -0.4(5) . . . . ?
C26 C25 C30 C29 -1.0(5) . . . . ?
P2 C25 C30 C29 179.9(2) . . . . ?
C19 P2 C31 C36 177.9(2) . . . . ?
C25 P2 C31 C36 70.8(2) . . . . ?
Pt P2 C31 C36 -51.1(2) . . . . ?
C19 P2 C31 C32 -1.3(3) . . . . ?
C25 P2 C31 C32 -108.4(2) . . . . ?
Pt P2 C31 C32 129.7(2) . . . . ?
C36 C31 C32 C33 0.1(4) . . . . ?
P2 C31 C32 C33 179.3(2) . . . . ?
C31 C32 C33 C34 -0.1(5) . . . . ?
C32 C33 C34 C35 -0.2(5) . . . . ?
C33 C34 C35 C36 0.5(5) . . . . ?
C34 C35 C36 C31 -0.4(5) . . . . ?
C32 C31 C36 C35 0.1(4) . . . . ?
P2 C31 C36 C35 -179.1(2) . . . . ?
P1 Pt C37 C38 -178.02(16) . . . . ?
P2 Pt C37 C38 0.9(3) . . . . ?
Pt C37 C38 C39 104.4(3) . . . . ?
P1 Pt C38 C37 3.4(3) . . . . ?
P2 Pt C38 C37 -179.53(16) . . . . ?
C37 Pt C38 C39 -114.7(3) . . . . ?
P1 Pt C38 C39 -111.3(2) . . . . ?
P2 Pt C38 C39 65.8(2) . . . . ?
C40 O1 C39 O2 -6.3(5) . . . . ?
C40 O1 C39 C38 174.8(3) . . . . ?
C37 C38 C39 O2 -6.7(5) . . . . ?
Pt C38 C39 O2 71.1(4) . . . . ?
C37 C38 C39 O1 172.2(3) . . . . ?
Pt C38 C39 O1 -110.1(2) . . . . ?
