#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:28:45 +0100 (vie 25 de mar de 2016) $
#$Revision: 179792 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/88/7008871.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_7008871
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         'C50 H40 P2 Pt, C6 H6'
_chemical_formula_sum            'C56 H46 P2 Pt'
_chemical_formula_weight         975.96
_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                102.484(2)
_cell_angle_beta                 107.407(3)
_cell_angle_gamma                95.895(3)
_cell_formula_units_Z            2
_cell_length_a                   11.8366(5)
_cell_length_b                   12.6126(5)
_cell_length_c                   15.7836(9)
_cell_measurement_reflns_used    15004
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      2.56
_cell_volume                     2159.55(18)
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0791
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15004
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    3.361
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             980
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.530
_refine_diff_density_min         -1.432
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         9765
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0469
_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)+(0.0528P)²+0.3684P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1090
_reflns_number_gt                7358
_reflns_number_total             9765
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B925562A.TXT
_cod_data_source_block           FO3730
_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_database_code               7008871
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 0.926132(17) 1.340653(16) 0.228686(16) 0.03507(8) Uani 1 1 d . . .
P1 P 0.81771(12) 1.47739(11) 0.22342(10) 0.0357(3) Uani 1 1 d . . .
P2 P 0.75588(12) 1.22115(11) 0.14017(10) 0.0346(3) Uani 1 1 d . . .
C1 C 1.0790(5) 1.2772(4) 0.2736(4) 0.0411(13) Uani 1 1 d . . .
C2 C 1.1056(5) 1.3830(5) 0.3054(4) 0.0398(13) Uani 1 1 d . . .
C3 C 1.1934(5) 1.4803(5) 0.3620(4) 0.0439(14) Uani 1 1 d . . .
C4 C 1.1857(6) 1.5805(5) 0.3363(6) 0.065(2) Uani 1 1 d . . .
H4A H 1.1272 1.5801 0.2798 0.078 Uiso 1 1 calc R . .
C5 C 1.2591(7) 1.6783(6) 0.3896(7) 0.078(3) Uani 1 1 d . . .
H5A H 1.2475 1.7449 0.3721 0.093 Uiso 1 1 calc R . .
C6 C 1.3463(7) 1.6793(6) 0.4655(7) 0.084(3) Uani 1 1 d . . .
H6A H 1.3973 1.7473 0.5019 0.101 Uiso 1 1 calc R . .
C7 C 1.3646(7) 1.5851(7) 0.4925(6) 0.075(2) Uani 1 1 d . . .
H7A H 1.4286 1.5882 0.5469 0.090 Uiso 1 1 calc R . .
C8 C 1.2890(6) 1.4827(6) 0.4403(5) 0.0648(19) Uani 1 1 d . . .
C9 C 1.1172(5) 1.1696(4) 0.2659(4) 0.0383(13) Uani 1 1 d . . .
C10 C 1.1542(5) 1.1267(5) 0.3420(5) 0.0468(14) Uani 1 1 d . . .
H10A H 1.1542 1.1682 0.3999 0.056 Uiso 1 1 calc R . .
C11 C 1.1906(6) 1.0263(5) 0.3358(5) 0.0585(17) Uani 1 1 d . . .
H11A H 1.2173 1.0000 0.3892 0.070 Uiso 1 1 calc R . .
C12 C 1.1882(6) 0.9644(5) 0.2523(6) 0.065(2) Uani 1 1 d . . .
H12A H 1.2136 0.8949 0.2475 0.078 Uiso 1 1 calc R . .
C13 C 1.1486(5) 1.0034(5) 0.1747(5) 0.0513(16) Uani 1 1 d . . .
H13A H 1.1460 0.9594 0.1169 0.062 Uiso 1 1 calc R . .
C14 C 1.1133(5) 1.1036(5) 0.1798(4) 0.0437(14) Uani 1 1 d . . .
C15 C 1.0697(6) 1.1434(5) 0.0942(5) 0.0569(17) Uani 1 1 d . . .
H15A H 1.0808 1.0918 0.0425 0.085 Uiso 1 1 calc R . .
H15B H 1.1157 1.2167 0.1040 0.085 Uiso 1 1 calc R . .
H15C H 0.9841 1.1476 0.0806 0.085 Uiso 1 1 calc R . .
C16 C 1.3125(7) 1.3806(6) 0.4677(6) 0.077(2) Uani 1 1 d . . .
H16A H 1.3236 1.3274 0.4168 0.116 Uiso 1 1 calc R . .
H16B H 1.2442 1.3492 0.4828 0.116 Uiso 1 1 calc R . .
H16C H 1.3855 1.3973 0.5216 0.116 Uiso 1 1 calc R . .
C17 C 0.6654(5) 1.4480(5) 0.2306(4) 0.0393(13) Uani 1 1 d . . .
C18 C 0.6190(5) 1.5405(5) 0.2575(4) 0.0470(14) Uani 1 1 d . . .
H18A H 0.6634 1.6110 0.2649 0.056 Uiso 1 1 calc R . .
C19 C 0.5080(5) 1.5349(5) 0.2745(4) 0.0501(15) Uani 1 1 d . . .
H19A H 0.4775 1.6003 0.2912 0.060 Uiso 1 1 calc R . .
C20 C 0.4464(5) 1.4354(5) 0.2667(4) 0.0467(14) Uani 1 1 d . . .
H20A H 0.3734 1.4315 0.2803 0.056 Uiso 1 1 calc R . .
C21 C 0.4876(5) 1.3364(5) 0.2388(4) 0.0432(14) Uani 1 1 d . . .
C22 C 0.4196(5) 1.2342(5) 0.2318(4) 0.0489(15) Uani 1 1 d . . .
H22A H 0.3475 1.2334 0.2466 0.059 Uiso 1 1 calc R . .
C23 C 0.4541(5) 1.1388(5) 0.2048(4) 0.0514(16) Uani 1 1 d . . .
H23A H 0.4093 1.0711 0.2034 0.062 Uiso 1 1 calc R . .
C24 C 0.5570(5) 1.1396(5) 0.1787(4) 0.0452(14) Uani 1 1 d . . .
H24A H 0.5786 1.0709 0.1569 0.054 Uiso 1 1 calc R . .
C25 C 0.6287(4) 1.2351(4) 0.1829(4) 0.0372(12) Uani 1 1 d . . .
C26 C 0.5978(5) 1.3397(4) 0.2169(4) 0.0364(12) Uani 1 1 d . . .
C27 C 0.8889(5) 1.5997(4) 0.3209(4) 0.0380(12) Uani 1 1 d . . .
C28 C 0.9178(5) 1.5835(5) 0.4087(4) 0.0472(14) Uani 1 1 d . . .
H28A H 0.8929 1.5128 0.4158 0.057 Uiso 1 1 calc R . .
C29 C 0.9816(6) 1.6671(6) 0.4854(5) 0.0587(17) Uani 1 1 d . . .
H29A H 1.0001 1.6549 0.5450 0.070 Uiso 1 1 calc R . .
C30 C 1.0186(6) 1.7702(6) 0.4741(5) 0.0594(18) Uani 1 1 d . . .
H30A H 1.0634 1.8287 0.5264 0.071 Uiso 1 1 calc R . .
C31 C 0.9911(6) 1.7875(5) 0.3885(5) 0.0550(16) Uani 1 1 d . . .
H31A H 1.0174 1.8580 0.3817 0.066 Uiso 1 1 calc R . .
C32 C 0.9254(5) 1.7040(5) 0.3116(5) 0.0470(14) Uani 1 1 d . . .
H32A H 0.9051 1.7175 0.2524 0.056 Uiso 1 1 calc R . .
C33 C 0.7937(5) 1.5279(4) 0.1201(4) 0.0369(12) Uani 1 1 d . . .
C34 C 0.8928(5) 1.5499(5) 0.0917(4) 0.0464(14) Uani 1 1 d . . .
H34A H 0.9702 1.5431 0.1285 0.056 Uiso 1 1 calc R . .
C35 C 0.8807(5) 1.5814(5) 0.0115(4) 0.0455(14) Uani 1 1 d . . .
H35A H 0.9498 1.5976 -0.0055 0.055 Uiso 1 1 calc R . .
C36 C 0.7702(6) 1.5893(5) -0.0437(4) 0.0498(15) Uani 1 1 d . . .
H36A H 0.7616 1.6091 -0.0998 0.060 Uiso 1 1 calc R . .
C37 C 0.6712(6) 1.5680(5) -0.0168(5) 0.0551(17) Uani 1 1 d . . .
H37A H 0.5940 1.5740 -0.0546 0.066 Uiso 1 1 calc R . .
C38 C 0.6828(5) 1.5382(5) 0.0643(4) 0.0467(15) Uani 1 1 d . . .
H38A H 0.6137 1.5246 0.0819 0.056 Uiso 1 1 calc R . .
C39 C 0.6953(5) 1.2334(4) 0.0228(4) 0.0388(12) Uani 1 1 d . . .
C40 C 0.7754(6) 1.2701(5) -0.0185(4) 0.0493(15) Uani 1 1 d . . .
H40A H 0.8588 1.2905 0.0159 0.059 Uiso 1 1 calc R . .
C41 C 0.7356(8) 1.2772(6) -0.1085(5) 0.067(2) Uani 1 1 d . . .
H41A H 0.7912 1.3025 -0.1357 0.081 Uiso 1 1 calc R . .
C42 C 0.6156(9) 1.2476(6) -0.1580(5) 0.074(2) Uani 1 1 d . . .
H42A H 0.5885 1.2519 -0.2200 0.089 Uiso 1 1 calc R . .
C43 C 0.5330(7) 1.2115(6) -0.1198(5) 0.072(2) Uani 1 1 d . . .
H43A H 0.4498 1.1915 -0.1550 0.086 Uiso 1 1 calc R . .
C44 C 0.5734(6) 1.2048(5) -0.0287(5) 0.0533(16) Uani 1 1 d . . .
H44A H 0.5172 1.1806 -0.0017 0.064 Uiso 1 1 calc R . .
C45 C 0.7667(5) 1.0751(4) 0.1249(4) 0.0379(13) Uani 1 1 d . . .
C46 C 0.7148(5) 0.9948(5) 0.0420(4) 0.0452(14) Uani 1 1 d . . .
H46A H 0.6682 1.0143 -0.0109 0.054 Uiso 1 1 calc R . .
C47 C 0.7306(6) 0.8873(5) 0.0361(5) 0.0485(15) Uani 1 1 d . . .
H47A H 0.6945 0.8331 -0.0209 0.058 Uiso 1 1 calc R . .
C48 C 0.7983(6) 0.8570(5) 0.1122(5) 0.0523(16) Uani 1 1 d . . .
H48A H 0.8095 0.7826 0.1072 0.063 Uiso 1 1 calc R . .
C49 C 0.8496(6) 0.9354(5) 0.1951(5) 0.0527(16) Uani 1 1 d . . .
H49A H 0.8946 0.9148 0.2479 0.063 Uiso 1 1 calc R . .
C50 C 0.8353(5) 1.0446(5) 0.2015(4) 0.0435(13) Uani 1 1 d . . .
H50A H 0.8725 1.0987 0.2583 0.052 Uiso 1 1 calc R . .
C1B C 0.5546(7) 2.0072(6) 0.3854(5) 0.070(2) Uani 1 1 d . . .
H1BA H 0.5028 2.0595 0.3771 0.083 Uiso 1 1 calc R . .
C2B C 0.5179(7) 1.9123(6) 0.4053(5) 0.0617(18) Uani 1 1 d . . .
H2BA H 0.4406 1.8992 0.4114 0.074 Uiso 1 1 calc R . .
C3B C 0.5913(7) 1.8356(5) 0.4164(5) 0.0625(18) Uani 1 1 d . . .
H3BA H 0.5642 1.7696 0.4300 0.075 Uiso 1 1 calc R . .
C4B C 0.7026(7) 1.8527(6) 0.4084(5) 0.0648(19) Uani 1 1 d . . .
H4BA H 0.7533 1.7994 0.4163 0.078 Uiso 1 1 calc R . .
C5B C 0.7408(7) 1.9491(7) 0.3884(6) 0.077(2) Uani 1 1 d . . .
H5BA H 0.8181 1.9618 0.3822 0.092 Uiso 1 1 calc R . .
C6B C 0.6672(8) 2.0270(7) 0.3774(6) 0.082(2) Uani 1 1 d . . .
H6BA H 0.6939 2.0934 0.3644 0.098 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 36.6(2) . . ?
C1 Pt1 P2 117.72(16) . . ?
C2 Pt1 P2 154.35(16) . . ?
C1 Pt1 P1 154.01(16) . . ?
C2 Pt1 P1 117.51(16) . . ?
P2 Pt1 P1 88.10(5) . . ?
C33 P1 C27 105.5(2) . . ?
C33 P1 C17 104.0(3) . . ?
C27 P1 C17 102.1(2) . . ?
C33 P1 Pt1 114.62(18) . . ?
C27 P1 Pt1 112.24(17) . . ?
C17 P1 Pt1 116.95(18) . . ?
C39 P2 C45 103.5(3) . . ?
C39 P2 C25 102.9(3) . . ?
C45 P2 C25 104.2(2) . . ?
C39 P2 Pt1 115.22(18) . . ?
C45 P2 Pt1 115.42(18) . . ?
C25 P2 Pt1 114.00(18) . . ?
C2 C1 C9 149.2(6) . . ?
C2 C1 Pt1 71.9(4) . . ?
C9 C1 Pt1 139.0(4) . . ?
C1 C2 C3 149.1(6) . . ?
C1 C2 Pt1 71.5(4) . . ?
C3 C2 Pt1 139.3(4) . . ?
C8 C3 C4 116.4(6) . . ?
C8 C3 C2 124.8(6) . . ?
C4 C3 C2 118.8(6) . . ?
C5 C4 C3 122.7(8) . . ?
C5 C4 H4A 118.7 . . ?
C3 C4 H4A 118.7 . . ?
C6 C5 C4 119.6(8) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C5 C6 C7 121.5(8) . . ?
C5 C6 H6A 119.3 . . ?
C7 C6 H6A 119.3 . . ?
C6 C7 C8 120.6(8) . . ?
C6 C7 H7A 119.7 . . ?
C8 C7 H7A 119.7 . . ?
C3 C8 C7 118.9(7) . . ?
C3 C8 C16 120.7(6) . . ?
C7 C8 C16 120.3(7) . . ?
C10 C9 C14 117.6(5) . . ?
C10 C9 C1 121.4(5) . . ?
C14 C9 C1 121.0(5) . . ?
C11 C10 C9 122.1(6) . . ?
C11 C10 H10A 119.0 . . ?
C9 C10 H10A 119.0 . . ?
C12 C11 C10 119.6(7) . . ?
C12 C11 H11A 120.2 . . ?
C10 C11 H11A 120.2 . . ?
C11 C12 C13 119.8(6) . . ?
C11 C12 H12A 120.1 . . ?
C13 C12 H12A 120.1 . . ?
C14 C13 C12 121.3(6) . . ?
C14 C13 H13A 119.3 . . ?
C12 C13 H13A 119.3 . . ?
C13 C14 C9 119.6(6) . . ?
C13 C14 C15 120.2(6) . . ?
C9 C14 C15 120.2(5) . . ?
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 C26 119.5(5) . . ?
C18 C17 P1 114.4(4) . . ?
C26 C17 P1 125.9(4) . . ?
C17 C18 C19 122.8(5) . . ?
C17 C18 H18A 118.6 . . ?
C19 C18 H18A 118.6 . . ?
C20 C19 C18 118.9(5) . . ?
C20 C19 H19A 120.6 . . ?
C18 C19 H19A 120.6 . . ?
C19 C20 C21 121.7(5) . . ?
C19 C20 H20A 119.1 . . ?
C21 C20 H20A 119.1 . . ?
C22 C21 C20 119.5(5) . . ?
C22 C21 C26 120.1(5) . . ?
C20 C21 C26 120.4(5) . . ?
C23 C22 C21 121.6(5) . . ?
C23 C22 H22A 119.2 . . ?
C21 C22 H22A 119.2 . . ?
C22 C23 C24 119.2(5) . . ?
C22 C23 H23A 120.4 . . ?
C24 C23 H23A 120.4 . . ?
C25 C24 C23 123.2(6) . . ?
C25 C24 H24A 118.4 . . ?
C23 C24 H24A 118.4 . . ?
C24 C25 C26 118.9(5) . . ?
C24 C25 P2 117.5(4) . . ?
C26 C25 P2 123.6(4) . . ?
C25 C26 C21 116.8(5) . . ?
C25 C26 C17 126.6(5) . . ?
C21 C26 C17 116.6(5) . . ?
C28 C27 C32 118.6(5) . . ?
C28 C27 P1 117.2(4) . . ?
C32 C27 P1 124.0(5) . . ?
C29 C28 C27 121.7(6) . . ?
C29 C28 H28A 119.2 . . ?
C27 C28 H28A 119.2 . . ?
C28 C29 C30 118.7(7) . . ?
C28 C29 H29A 120.7 . . ?
C30 C29 H29A 120.7 . . ?
C31 C30 C29 120.5(6) . . ?
C31 C30 H30A 119.8 . . ?
C29 C30 H30A 119.8 . . ?
C30 C31 C32 120.8(6) . . ?
C30 C31 H31A 119.6 . . ?
C32 C31 H31A 119.6 . . ?
C31 C32 C27 119.9(6) . . ?
C31 C32 H32A 120.1 . . ?
C27 C32 H32A 120.1 . . ?
C38 C33 C34 117.4(5) . . ?
C38 C33 P1 124.5(4) . . ?
C34 C33 P1 117.9(4) . . ?
C35 C34 C33 121.4(6) . . ?
C35 C34 H34A 119.3 . . ?
C33 C34 H34A 119.3 . . ?
C36 C35 C34 120.5(5) . . ?
C36 C35 H35A 119.8 . . ?
C34 C35 H35A 119.7 . . ?
C35 C36 C37 119.0(6) . . ?
C35 C36 H36A 120.5 . . ?
C37 C36 H36A 120.5 . . ?
C36 C37 C38 120.9(6) . . ?
C36 C37 H37A 119.5 . . ?
C38 C37 H37A 119.5 . . ?
C33 C38 C37 120.8(5) . . ?
C33 C38 H38A 119.6 . . ?
C37 C38 H38A 119.6 . . ?
C44 C39 C40 118.3(6) . . ?
C44 C39 P2 123.2(5) . . ?
C40 C39 P2 118.4(5) . . ?
C41 C40 C39 121.2(7) . . ?
C41 C40 H40A 119.4 . . ?
C39 C40 H40A 119.4 . . ?
C42 C41 C40 119.3(7) . . ?
C42 C41 H41A 120.3 . . ?
C40 C41 H41A 120.3 . . ?
C41 C42 C43 121.4(7) . . ?
C41 C42 H42A 119.3 . . ?
C43 C42 H42A 119.3 . . ?
C42 C43 C44 119.1(7) . . ?
C42 C43 H43A 120.5 . . ?
C44 C43 H43A 120.5 . . ?
C39 C44 C43 120.6(7) . . ?
C39 C44 H44A 119.7 . . ?
C43 C44 H44A 119.7 . . ?
C46 C45 C50 118.8(5) . . ?
C46 C45 P2 124.3(4) . . ?
C50 C45 P2 116.9(4) . . ?
C47 C46 C45 120.4(6) . . ?
C47 C46 H46A 119.8 . . ?
C45 C46 H46A 119.8 . . ?
C46 C47 C48 120.9(6) . . ?
C46 C47 H47A 119.6 . . ?
C48 C47 H47A 119.6 . . ?
C49 C48 C47 119.5(6) . . ?
C49 C48 H48A 120.2 . . ?
C47 C48 H48A 120.2 . . ?
C48 C49 C50 120.0(6) . . ?
C48 C49 H49A 120.0 . . ?
C50 C49 H49A 120.0 . . ?
C49 C50 C45 120.5(6) . . ?
C49 C50 H50A 119.8 . . ?
C45 C50 H50A 119.8 . . ?
C2B C1B C6B 119.9(7) . . ?
C2B C1B H1BA 120.1 . . ?
C6B C1B H1BA 120.1 . . ?
C1B C2B C3B 120.6(7) . . ?
C1B C2B H2BA 119.7 . . ?
C3B C2B H2BA 119.7 . . ?
C4B C3B C2B 120.7(7) . . ?
C4B C3B H3BA 119.6 . . ?
C2B C3B H3BA 119.6 . . ?
C3B C4B C5B 119.0(7) . . ?
C3B C4B H4BA 120.5 . . ?
C5B C4B H4BA 120.5 . . ?
C6B C5B C4B 120.5(7) . . ?
C6B C5B H5BA 119.8 . . ?
C4B C5B H5BA 119.8 . . ?
C1B C6B C5B 119.3(7) . . ?
C1B C6B H6BA 120.4 . . ?
C5B C6B H6BA 120.4 . . ?
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 2.047(6) . ?
Pt1 C2 2.052(6) . ?
Pt1 P2 2.2507(14) . ?
Pt1 P1 2.2541(14) . ?
P1 C33 1.832(6) . ?
P1 C27 1.841(6) . ?
P1 C17 1.845(5) . ?
P2 C39 1.822(6) . ?
P2 C45 1.828(5) . ?
P2 C25 1.834(5) . ?
C1 C2 1.288(8) . ?
C1 C9 1.465(7) . ?
C2 C3 1.447(8) . ?
C3 C8 1.396(9) . ?
C3 C4 1.412(9) . ?
C4 C5 1.370(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.323(12) . ?
C5 H5A 0.9500 . ?
C6 C7 1.363(11) . ?
C6 H6A 0.9500 . ?
C7 C8 1.417(10) . ?
C7 H7A 0.9500 . ?
C8 C16 1.471(10) . ?
C9 C10 1.394(8) . ?
C9 C14 1.417(8) . ?
C10 C11 1.371(9) . ?
C10 H10A 0.9500 . ?
C11 C12 1.370(10) . ?
C11 H11A 0.9500 . ?
C12 C13 1.388(10) . ?
C12 H12A 0.9500 . ?
C13 C14 1.366(8) . ?
C13 H13A 0.9500 . ?
C14 C15 1.507(9) . ?
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 1.379(8) . ?
C17 C26 1.448(7) . ?
C18 C19 1.416(8) . ?
C18 H18A 0.9500 . ?
C19 C20 1.347(8) . ?
C19 H19A 0.9500 . ?
C20 C21 1.417(8) . ?
C20 H20A 0.9500 . ?
C21 C22 1.412(8) . ?
C21 C26 1.445(7) . ?
C22 C23 1.334(9) . ?
C22 H22A 0.9500 . ?
C23 C24 1.398(8) . ?
C23 H23A 0.9500 . ?
C24 C25 1.378(7) . ?
C24 H24A 0.9500 . ?
C25 C26 1.439(7) . ?
C27 C28 1.389(8) . ?
C27 C32 1.395(7) . ?
C28 C29 1.373(9) . ?
C28 H28A 0.9500 . ?
C29 C30 1.395(9) . ?
C29 H29A 0.9500 . ?
C30 C31 1.364(10) . ?
C30 H30A 0.9500 . ?
C31 C32 1.379(9) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
C33 C38 1.381(8) . ?
C33 C34 1.399(8) . ?
C34 C35 1.379(8) . ?
C34 H34A 0.9500 . ?
C35 C36 1.365(8) . ?
C35 H35A 0.9500 . ?
C36 C37 1.382(9) . ?
C36 H36A 0.9500 . ?
C37 C38 1.384(9) . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
C39 C44 1.392(8) . ?
C39 C40 1.396(8) . ?
C40 C41 1.383(10) . ?
C40 H40A 0.9500 . ?
C41 C42 1.367(11) . ?
C41 H41A 0.9500 . ?
C42 C43 1.380(11) . ?
C42 H42A 0.9500 . ?
C43 C44 1.398(10) . ?
C43 H43A 0.9500 . ?
C44 H44A 0.9500 . ?
C45 C46 1.391(8) . ?
C45 C50 1.395(8) . ?
C46 C47 1.374(8) . ?
C46 H46A 0.9500 . ?
C47 C48 1.384(9) . ?
C47 H47A 0.9500 . ?
C48 C49 1.379(9) . ?
C48 H48A 0.9500 . ?
C49 C50 1.391(8) . ?
C49 H49A 0.9500 . ?
C50 H50A 0.9500 . ?
C1B C2B 1.362(10) . ?
C1B C6B 1.379(11) . ?
C1B H1BA 0.9500 . ?
C2B C3B 1.370(10) . ?
C2B H2BA 0.9500 . ?
C3B C4B 1.361(9) . ?
C3B H3BA 0.9500 . ?
C4B C5B 1.386(10) . ?
C4B H4BA 0.9500 . ?
C5B C6B 1.383(11) . ?
C5B H5BA 0.9500 . ?
C6B H6BA 0.9500 . ?
