#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:28:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179792 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/88/7008872.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_7008872
loop_
_publ_author_name
'Weisheit, Thomas'
'Escudero, Daniel'
'Petzold, Holm'
'Görls, Helmar'
'González, Leticia'
'Weigand, Wolfgang'
_publ_section_title
;
 Photochemical behavior of (diphosphine)(η(2)-tolane)Pt(0) complexes.
 Part A: Experimental considerations in solution and in the solid state.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9493
_journal_page_last               9504
_journal_paper_doi               10.1039/b925562a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C48 H42 P2 Pt, C6 H6'
_chemical_formula_sum            'C54 H48 P2 Pt'
_chemical_formula_weight         953.95
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.791(2)
_cell_angle_beta                 107.389(2)
_cell_angle_gamma                103.098(2)
_cell_formula_units_Z            2
_cell_length_a                   11.6006(5)
_cell_length_b                   12.9579(5)
_cell_length_c                   15.4685(5)
_cell_measurement_reflns_used    15688
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      1.62
_cell_volume                     2148.93(15)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-scan'
_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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0962
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15688
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    3.376
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.657
_refine_diff_density_min         -1.741
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         9765
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0637P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1113
_refine_ls_wR_factor_ref         0.1226
_reflns_number_gt                7398
_reflns_number_total             9765
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B925562A.TXT
_cod_data_source_block           FO3804
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'NONE' changed to 'none' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2148.93(14)
_cod_database_code               7008872
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.73795(2) 0.233384(18) 0.700627(16) 0.02593(9) Uani 1 1 d . . .
P1 P 0.86017(14) 0.36428(12) 0.65060(11) 0.0272(3) Uani 1 1 d . . .
P2 P 0.55513(14) 0.28281(12) 0.66720(10) 0.0249(3) Uani 1 1 d . . .
C1 C 0.7155(6) 0.0939(5) 0.7591(4) 0.0293(13) Uani 1 1 d . . .
C2 C 0.8265(5) 0.1172(4) 0.7517(4) 0.0251(13) Uani 1 1 d . . .
C3 C 0.9409(6) 0.0824(5) 0.7647(4) 0.0312(14) Uani 1 1 d . . .
C4 C 1.0515(6) 0.1577(5) 0.7737(4) 0.0342(15) Uani 1 1 d . . .
H4A H 1.0498 0.2301 0.7676 0.041 Uiso 1 1 calc R . .
C5 C 1.1643(7) 0.1297(6) 0.7913(5) 0.0417(17) Uani 1 1 d . . .
H5A H 1.2391 0.1830 0.7998 0.050 Uiso 1 1 calc R . .
C6 C 1.1674(7) 0.0253(7) 0.7965(5) 0.0478(19) Uani 1 1 d . . .
H6A H 1.2443 0.0057 0.8084 0.057 Uiso 1 1 calc R . .
C7 C 1.0576(7) -0.0521(6) 0.7843(5) 0.0443(17) Uani 1 1 d . . .
H7A H 1.0602 -0.1248 0.7861 0.053 Uiso 1 1 calc R . .
C8 C 0.9436(6) -0.0257(5) 0.7694(4) 0.0357(15) Uani 1 1 d . . .
C9 C 0.6255(6) 0.0221(5) 0.7932(4) 0.0286(13) Uani 1 1 d . . .
C10 C 0.5097(6) -0.0325(5) 0.7341(4) 0.0323(14) Uani 1 1 d . . .
H10A H 0.4892 -0.0233 0.6711 0.039 Uiso 1 1 calc R . .
C11 C 0.4240(6) -0.1000(5) 0.7655(5) 0.0369(16) Uani 1 1 d . . .
H11A H 0.3465 -0.1383 0.7237 0.044 Uiso 1 1 calc R . .
C12 C 0.4504(7) -0.1120(6) 0.8571(5) 0.0441(18) Uani 1 1 d . . .
H12A H 0.3909 -0.1574 0.8788 0.053 Uiso 1 1 calc R . .
C13 C 0.5635(7) -0.0575(6) 0.9166(5) 0.0468(18) Uani 1 1 d . . .
H13A H 0.5812 -0.0659 0.9796 0.056 Uiso 1 1 calc R . .
C14 C 0.6535(6) 0.0100(6) 0.8872(5) 0.0403(16) Uani 1 1 d . . .
C15 C 0.7782(8) 0.0680(8) 0.9531(5) 0.067(3) Uani 1 1 d . . .
H15A H 0.7748 0.0654 1.0156 0.100 Uiso 1 1 calc R . .
H15B H 0.7982 0.1424 0.9404 0.100 Uiso 1 1 calc R . .
H15C H 0.8426 0.0338 0.9462 0.100 Uiso 1 1 calc R . .
C16 C 0.8275(7) -0.1125(6) 0.7582(5) 0.0454(18) Uani 1 1 d . . .
H16A H 0.8476 -0.1820 0.7588 0.068 Uiso 1 1 calc R . .
H16B H 0.7647 -0.1098 0.7001 0.068 Uiso 1 1 calc R . .
H16C H 0.7946 -0.1020 0.8084 0.068 Uiso 1 1 calc R . .
C17 C 0.7889(6) 0.4626(5) 0.5827(4) 0.0320(14) Uani 1 1 d . . .
H17A H 0.7637 0.5079 0.6229 0.038 Uiso 1 1 calc R . .
H17B H 0.8529 0.5094 0.5616 0.038 Uiso 1 1 calc R . .
C18 C 0.6774(6) 0.4146(5) 0.5013(4) 0.0280(13) Uani 1 1 d . . .
C19 C 0.6927(6) 0.4035(5) 0.4165(4) 0.0344(15) Uani 1 1 d . . .
H19A H 0.7736 0.4293 0.4114 0.041 Uiso 1 1 calc R . .
C20 C 0.5972(7) 0.3572(5) 0.3397(5) 0.0412(17) Uani 1 1 d . . .
H20A H 0.6119 0.3499 0.2829 0.049 Uiso 1 1 calc R . .
C21 C 0.4765(7) 0.3205(5) 0.3462(5) 0.0398(16) Uani 1 1 d . . .
H21A H 0.4084 0.2875 0.2940 0.048 Uiso 1 1 calc R . .
C22 C 0.4594(6) 0.3333(5) 0.4297(4) 0.0357(15) Uani 1 1 d . . .
H22A H 0.3778 0.3090 0.4339 0.043 Uiso 1 1 calc R . .
C23 C 0.5562(5) 0.3801(5) 0.5081(4) 0.0258(13) Uani 1 1 d . . .
C24 C 0.5307(6) 0.3939(5) 0.5971(4) 0.0306(14) Uani 1 1 d . . .
H24A H 0.4435 0.3992 0.5846 0.037 Uiso 1 1 calc R . .
H24B H 0.5861 0.4615 0.6321 0.037 Uiso 1 1 calc R . .
C25 C 0.9368(6) 0.3169(5) 0.5743(4) 0.0295(14) Uani 1 1 d . . .
C26 C 0.8622(6) 0.2447(5) 0.4998(4) 0.0340(15) Uani 1 1 d . . .
H26A H 0.7755 0.2198 0.4911 0.041 Uiso 1 1 calc R . .
C27 C 0.9135(7) 0.2082(5) 0.4374(5) 0.0403(16) Uani 1 1 d . . .
H27A H 0.8613 0.1601 0.3858 0.048 Uiso 1 1 calc R . .
C28 C 1.0413(7) 0.2423(6) 0.4508(5) 0.0405(17) Uani 1 1 d . . .
H28A H 1.0767 0.2174 0.4088 0.049 Uiso 1 1 calc R . .
C29 C 1.1150(6) 0.3123(5) 0.5257(5) 0.0397(16) Uani 1 1 d . . .
H29A H 1.2022 0.3352 0.5355 0.048 Uiso 1 1 calc R . .
C30 C 1.0646(6) 0.3503(5) 0.5874(4) 0.0322(14) Uani 1 1 d . . .
H30A H 1.1171 0.3989 0.6386 0.039 Uiso 1 1 calc R . .
C31 C 0.9893(6) 0.4539(5) 0.7397(5) 0.0332(14) Uani 1 1 d . . .
C32 C 1.0224(6) 0.4270(6) 0.8274(5) 0.0383(16) Uani 1 1 d . . .
H32A H 0.9779 0.3618 0.8409 0.046 Uiso 1 1 calc R . .
C33 C 1.1193(7) 0.4927(6) 0.8968(5) 0.0485(19) Uani 1 1 d . . .
H33A H 1.1418 0.4719 0.9567 0.058 Uiso 1 1 calc R . .
C34 C 1.1834(7) 0.5896(7) 0.8775(6) 0.056(2) Uani 1 1 d . . .
H34A H 1.2506 0.6349 0.9241 0.068 Uiso 1 1 calc R . .
C35 C 1.1490(7) 0.6189(6) 0.7913(6) 0.053(2) Uani 1 1 d . . .
H35A H 1.1916 0.6856 0.7790 0.064 Uiso 1 1 calc R . .
C36 C 1.0539(6) 0.5539(5) 0.7218(5) 0.0433(17) Uani 1 1 d . . .
H36A H 1.0315 0.5757 0.6623 0.052 Uiso 1 1 calc R . .
C37 C 0.5065(6) 0.3212(5) 0.7645(4) 0.0308(14) Uani 1 1 d . . .
C38 C 0.4351(7) 0.3935(6) 0.7608(5) 0.0447(18) Uani 1 1 d . . .
H38A H 0.4086 0.4258 0.7064 0.054 Uiso 1 1 calc R . .
C39 C 0.4013(8) 0.4196(6) 0.8370(6) 0.058(2) Uani 1 1 d . . .
H39A H 0.3525 0.4700 0.8342 0.069 Uiso 1 1 calc R . .
C40 C 0.4373(8) 0.3740(7) 0.9138(6) 0.058(2) Uani 1 1 d . . .
H40A H 0.4141 0.3923 0.9651 0.070 Uiso 1 1 calc R . .
C41 C 0.5082(7) 0.3002(7) 0.9189(5) 0.053(2) Uani 1 1 d . . .
H41A H 0.5328 0.2674 0.9732 0.063 Uiso 1 1 calc R . .
C42 C 0.5436(7) 0.2742(6) 0.8440(5) 0.0432(17) Uani 1 1 d . . .
H42A H 0.5930 0.2243 0.8475 0.052 Uiso 1 1 calc R . .
C43 C 0.4240(5) 0.1759(5) 0.5998(4) 0.0269(13) Uani 1 1 d . . .
C44 C 0.3079(6) 0.1524(5) 0.6134(5) 0.0335(15) Uani 1 1 d . . .
H44A H 0.2953 0.1911 0.6616 0.040 Uiso 1 1 calc R . .
C45 C 0.2100(6) 0.0725(6) 0.5568(5) 0.0439(17) Uani 1 1 d . . .
H45A H 0.1318 0.0558 0.5678 0.053 Uiso 1 1 calc R . .
C46 C 0.2255(7) 0.0179(5) 0.4855(5) 0.0436(18) Uani 1 1 d . . .
H46A H 0.1578 -0.0351 0.4462 0.052 Uiso 1 1 calc R . .
C47 C 0.3409(7) 0.0405(5) 0.4710(5) 0.0403(16) Uani 1 1 d . . .
H47A H 0.3521 0.0030 0.4216 0.048 Uiso 1 1 calc R . .
C48 C 0.4395(6) 0.1178(5) 0.5286(4) 0.0316(14) Uani 1 1 d . . .
H48A H 0.5187 0.1313 0.5193 0.038 Uiso 1 1 calc R . .
C1BB C 0.9429(9) -0.2913(8) 0.9410(6) 0.070(3) Uani 1 1 d . . .
H1BA H 1.0308 -0.2780 0.9547 0.084 Uiso 1 1 calc R . .
C2BB C 0.8652(10) -0.3731(8) 0.8765(6) 0.068(3) Uani 1 1 d . . .
H2BA H 0.8988 -0.4180 0.8463 0.082 Uiso 1 1 calc R . .
C3BB C 0.7383(10) -0.3891(7) 0.8564(6) 0.066(3) Uani 1 1 d . . .
H3BA H 0.6840 -0.4460 0.8125 0.080 Uiso 1 1 calc R . .
C4BB C 0.6897(8) -0.3241(8) 0.8988(6) 0.065(3) Uani 1 1 d . . .
H4BA H 0.6020 -0.3342 0.8835 0.078 Uiso 1 1 calc R . .
C5BB C 0.7691(9) -0.2438(7) 0.9639(6) 0.061(2) Uani 1 1 d . . .
H5BA H 0.7368 -0.1979 0.9942 0.073 Uiso 1 1 calc R . .
C6BB C 0.8936(9) -0.2309(7) 0.9844(6) 0.064(2) Uani 1 1 d . . .
H6BA H 0.9478 -0.1770 1.0311 0.077 Uiso 1 1 calc R . .
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'
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
C1 Pt1 C2 36.8(2) . . ?
C1 Pt1 P1 149.42(18) . . ?
C2 Pt1 P1 112.63(16) . . ?
C1 Pt1 P2 107.78(18) . . ?
C2 Pt1 P2 144.50(16) . . ?
P1 Pt1 P2 102.79(5) . . ?
C31 P1 C25 103.8(3) . . ?
C31 P1 C17 100.6(3) . . ?
C25 P1 C17 100.7(3) . . ?
C31 P1 Pt1 115.6(2) . . ?
C25 P1 Pt1 114.68(19) . . ?
C17 P1 Pt1 119.1(2) . . ?
C43 P2 C37 104.0(3) . . ?
C43 P2 C24 100.4(3) . . ?
C37 P2 C24 100.8(3) . . ?
C43 P2 Pt1 111.8(2) . . ?
C37 P2 Pt1 117.0(2) . . ?
C24 P2 Pt1 120.47(19) . . ?
C2 C1 C9 146.8(6) . . ?
C2 C1 Pt1 72.2(3) . . ?
C9 C1 Pt1 140.8(5) . . ?
C1 C2 C3 145.5(6) . . ?
C1 C2 Pt1 71.0(4) . . ?
C3 C2 Pt1 143.3(4) . . ?
C4 C3 C8 118.7(6) . . ?
C4 C3 C2 119.3(6) . . ?
C8 C3 C2 122.0(6) . . ?
C5 C4 C3 121.6(7) . . ?
C5 C4 H4A 119.2 . . ?
C3 C4 H4A 119.2 . . ?
C6 C5 C4 119.8(7) . . ?
C6 C5 H5A 120.1 . . ?
C4 C5 H5A 120.1 . . ?
C5 C6 C7 119.7(7) . . ?
C5 C6 H6A 120.1 . . ?
C7 C6 H6A 120.1 . . ?
C6 C7 C8 121.6(7) . . ?
C6 C7 H7A 119.2 . . ?
C8 C7 H7A 119.2 . . ?
C7 C8 C3 118.5(6) . . ?
C7 C8 C16 119.6(6) . . ?
C3 C8 C16 122.0(6) . . ?
C10 C9 C14 118.8(5) . . ?
C10 C9 C1 120.6(5) . . ?
C14 C9 C1 120.5(6) . . ?
C11 C10 C9 121.2(6) . . ?
C11 C10 H10A 119.4 . . ?
C9 C10 H10A 119.4 . . ?
C12 C11 C10 120.3(6) . . ?
C12 C11 H11A 119.8 . . ?
C10 C11 H11A 119.8 . . ?
C13 C12 C11 119.3(6) . . ?
C13 C12 H12A 120.3 . . ?
C11 C12 H12A 120.3 . . ?
C12 C13 C14 122.0(7) . . ?
C12 C13 H13A 119.0 . . ?
C14 C13 H13A 119.0 . . ?
C13 C14 C9 118.3(6) . . ?
C13 C14 C15 121.5(6) . . ?
C9 C14 C15 120.2(6) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C8 C16 H16A 109.5 . . ?
C8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 P1 114.7(4) . . ?
C18 C17 H17A 108.6 . . ?
P1 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
P1 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
C19 C18 C23 118.3(6) . . ?
C19 C18 C17 119.5(5) . . ?
C23 C18 C17 122.2(5) . . ?
C20 C19 C18 123.2(6) . . ?
C20 C19 H19A 118.4 . . ?
C18 C19 H19A 118.4 . . ?
C19 C20 C21 118.8(6) . . ?
C19 C20 H20A 120.6 . . ?
C21 C20 H20A 120.6 . . ?
C22 C21 C20 118.6(6) . . ?
C22 C21 H21A 120.7 . . ?
C20 C21 H21A 120.7 . . ?
C21 C22 C23 122.9(6) . . ?
C21 C22 H22A 118.6 . . ?
C23 C22 H22A 118.6 . . ?
C22 C23 C18 118.1(5) . . ?
C22 C23 C24 120.3(5) . . ?
C18 C23 C24 121.6(5) . . ?
C23 C24 P2 112.7(4) . . ?
C23 C24 H24A 109.0 . . ?
P2 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
P2 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C26 C25 C30 119.0(6) . . ?
C26 C25 P1 117.5(5) . . ?
C30 C25 P1 123.5(5) . . ?
C25 C26 C27 120.5(6) . . ?
C25 C26 H26A 119.8 . . ?
C27 C26 H26A 119.8 . . ?
C26 C27 C28 120.2(6) . . ?
C26 C27 H27A 119.9 . . ?
C28 C27 H27A 119.9 . . ?
C29 C28 C27 119.0(6) . . ?
C29 C28 H28A 120.5 . . ?
C27 C28 H28A 120.5 . . ?
C28 C29 C30 121.3(6) . . ?
C28 C29 H29A 119.4 . . ?
C30 C29 H29A 119.4 . . ?
C29 C30 C25 120.1(6) . . ?
C29 C30 H30A 120.0 . . ?
C25 C30 H30A 120.0 . . ?
C32 C31 C36 118.2(6) . . ?
C32 C31 P1 119.9(5) . . ?
C36 C31 P1 121.8(5) . . ?
C31 C32 C33 121.7(7) . . ?
C31 C32 H32A 119.2 . . ?
C33 C32 H32A 119.2 . . ?
C32 C33 C34 119.3(7) . . ?
C32 C33 H33A 120.4 . . ?
C34 C33 H33A 120.4 . . ?
C35 C34 C33 119.6(7) . . ?
C35 C34 H34A 120.2 . . ?
C33 C34 H34A 120.2 . . ?
C34 C35 C36 121.6(7) . . ?
C34 C35 H35A 119.2 . . ?
C36 C35 H35A 119.2 . . ?
C35 C36 C31 119.6(7) . . ?
C35 C36 H36A 120.2 . . ?
C31 C36 H36A 120.2 . . ?
C38 C37 C42 119.2(6) . . ?
C38 C37 P2 122.9(5) . . ?
C42 C37 P2 118.0(5) . . ?
C37 C38 C39 120.2(7) . . ?
C37 C38 H38A 119.9 . . ?
C39 C38 H38A 119.9 . . ?
C40 C39 C38 120.4(8) . . ?
C40 C39 H39A 119.8 . . ?
C38 C39 H39A 119.8 . . ?
C39 C40 C41 120.3(7) . . ?
C39 C40 H40A 119.8 . . ?
C41 C40 H40A 119.8 . . ?
C40 C41 C42 119.8(7) . . ?
C40 C41 H41A 120.1 . . ?
C42 C41 H41A 120.1 . . ?
C37 C42 C41 120.0(7) . . ?
C37 C42 H42A 120.0 . . ?
C41 C42 H42A 120.0 . . ?
C44 C43 C48 118.4(6) . . ?
C44 C43 P2 123.4(5) . . ?
C48 C43 P2 118.1(4) . . ?
C43 C44 C45 120.4(6) . . ?
C43 C44 H44A 119.8 . . ?
C45 C44 H44A 119.8 . . ?
C46 C45 C44 120.6(6) . . ?
C46 C45 H45A 119.7 . . ?
C44 C45 H45A 119.7 . . ?
C45 C46 C47 119.7(6) . . ?
C45 C46 H46A 120.2 . . ?
C47 C46 H46A 120.2 . . ?
C48 C47 C46 120.0(6) . . ?
C48 C47 H47A 120.0 . . ?
C46 C47 H47A 120.0 . . ?
C47 C48 C43 120.9(6) . . ?
C47 C48 H48A 119.6 . . ?
C43 C48 H48A 119.6 . . ?
C6BB C1BB C2BB 119.4(9) . . ?
C6BB C1BB H1BA 120.3 . . ?
C2BB C1BB H1BA 120.3 . . ?
C3BB C2BB C1BB 119.2(9) . . ?
C3BB C2BB H2BA 120.4 . . ?
C1BB C2BB H2BA 120.4 . . ?
C4BB C3BB C2BB 120.6(8) . . ?
C4BB C3BB H3BA 119.7 . . ?
C2BB C3BB H3BA 119.7 . . ?
C3BB C4BB C5BB 119.3(9) . . ?
C3BB C4BB H4BA 120.4 . . ?
C5BB C4BB H4BA 120.4 . . ?
C6BB C5BB C4BB 119.3(8) . . ?
C6BB C5BB H5BA 120.4 . . ?
C4BB C5BB H5BA 120.4 . . ?
C1BB C6BB C5BB 122.2(9) . . ?
C1BB C6BB H6BA 118.9 . . ?
C5BB C6BB H6BA 118.9 . . ?
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 C1 2.045(6) . ?
Pt1 C2 2.059(6) . ?
Pt1 P1 2.2658(14) . ?
Pt1 P2 2.2707(16) . ?
P1 C31 1.836(7) . ?
P1 C25 1.841(6) . ?
P1 C17 1.858(6) . ?
P2 C43 1.824(6) . ?
P2 C37 1.849(6) . ?
P2 C24 1.851(6) . ?
C1 C2 1.295(8) . ?
C1 C9 1.468(8) . ?
C2 C3 1.457(9) . ?
C3 C4 1.391(9) . ?
C3 C8 1.412(9) . ?
C4 C5 1.388(10) . ?
C4 H4A 0.9500 . ?
C5 C6 1.365(11) . ?
C5 H5A 0.9500 . ?
C6 C7 1.389(11) . ?
C6 H6A 0.9500 . ?
C7 C8 1.395(10) . ?
C7 H7A 0.9500 . ?
C8 C16 1.506(9) . ?
C9 C10 1.392(9) . ?
C9 C14 1.414(9) . ?
C10 C11 1.381(8) . ?
C10 H10A 0.9500 . ?
C11 C12 1.379(10) . ?
C11 H11A 0.9500 . ?
C12 C13 1.373(10) . ?
C12 H12A 0.9500 . ?
C13 C14 1.397(9) . ?
C13 H13A 0.9500 . ?
C14 C15 1.509(10) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.503(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.382(8) . ?
C18 C23 1.413(8) . ?
C19 C20 1.366(10) . ?
C19 H19A 0.9500 . ?
C20 C21 1.408(10) . ?
C20 H20A 0.9500 . ?
C21 C22 1.374(9) . ?
C21 H21A 0.9500 . ?
C22 C23 1.390(9) . ?
C22 H22A 0.9500 . ?
C23 C24 1.505(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.386(9) . ?
C25 C30 1.396(8) . ?
C26 C27 1.396(9) . ?
C26 H26A 0.9500 . ?
C27 C28 1.397(10) . ?
C27 H27A 0.9500 . ?
C28 C29 1.373(10) . ?
C28 H28A 0.9500 . ?
C29 C30 1.390(9) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C31 C32 1.374(9) . ?
C31 C36 1.422(9) . ?
C32 C33 1.388(10) . ?
C32 H32A 0.9500 . ?
C33 C34 1.398(11) . ?
C33 H33A 0.9500 . ?
C34 C35 1.364(12) . ?
C34 H34A 0.9500 . ?
C35 C36 1.377(10) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C37 C38 1.375(10) . ?
C37 C42 1.385(9) . ?
C38 C39 1.405(10) . ?
C38 H38A 0.9500 . ?
C39 C40 1.340(12) . ?
C39 H39A 0.9500 . ?
C40 C41 1.385(12) . ?
C40 H40A 0.9500 . ?
C41 C42 1.395(10) . ?
C41 H41A 0.9500 . ?
C42 H42A 0.9500 . ?
C43 C44 1.393(8) . ?
C43 C48 1.393(9) . ?
C44 C45 1.395(9) . ?
C44 H44A 0.9500 . ?
C45 C46 1.369(10) . ?
C45 H45A 0.9500 . ?
C46 C47 1.391(10) . ?
C46 H46A 0.9500 . ?
C47 C48 1.386(9) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C1BB C6BB 1.338(12) . ?
C1BB C2BB 1.377(13) . ?
C1BB H1BA 0.9500 . ?
C2BB C3BB 1.375(13) . ?
C2BB H2BA 0.9500 . ?
C3BB C4BB 1.363(13) . ?
C3BB H3BA 0.9500 . ?
C4BB C5BB 1.376(13) . ?
C4BB H4BA 0.9500 . ?
C5BB C6BB 1.352(12) . ?
C5BB H5BA 0.9500 . ?
C6BB H6BA 0.9500 . ?
