#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/97/2229731.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2229731
loop_
_publ_author_name
'Güzelsoylu, Cemal'
'Irişli, Sevil'
'Büyükgüngör, Orhan'
_publ_section_title
;
 Bis[bis(diphenylthiophosphinyl)amido-κ²S,S']platinum(II)
;
_journal_coeditor_code           JJ2077
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m479
_journal_paper_doi               10.1107/S1600536811010117
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt (C24 H20 N P2 S2)2]'
_chemical_formula_moiety         'C48 H40 N2 P4 Pt S4'
_chemical_formula_sum            'C48 H40 N2 P4 Pt S4'
_chemical_formula_weight         1092.03
_chemical_name_systematic
;
Bis[bis(diphenylthiophosphinyl)amido-κ²S,S']platinum(II)
;
_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                98.137(3)
_cell_angle_beta                 90.496(3)
_cell_angle_gamma                115.563(3)
_cell_formula_units_Z            2
_cell_length_a                   10.1103(4)
_cell_length_b                   10.7023(4)
_cell_length_c                   23.9258(9)
_cell_measurement_reflns_used    23061
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.32
_cell_measurement_theta_min      1.72
_cell_volume                     2304.86(17)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'rotation method'
_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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            23061
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    3.400
_exptl_absorpt_correction_T_max  0.7896
_exptl_absorpt_correction_T_min  0.3022
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.560
_exptl_crystal_size_mid          0.323
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.815
_refine_diff_density_min         -0.790
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         9495
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0360P)²+1.3319P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0656
_reflns_number_gt                8823
_reflns_number_total             9495
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jj2077.cif
_cod_data_source_block           I
_cod_original_cell_volume        2304.86(15)
_cod_database_code               2229731
_cod_database_fobs_code          2229731
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8948(4) 0.3729(3) 0.59754(14) 0.0444(7) Uani d . 1 . .
C C2 1.0207(4) 0.4658(4) 0.57643(18) 0.0621(9) Uani d . 1 . .
H H2 1.0238 0.5476 0.5661 0.074 Uiso calc R 1 . .
C C3 1.1416(5) 0.4379(6) 0.5706(2) 0.0845(14) Uani d . 1 . .
H H3 1.2266 0.5017 0.5574 0.101 Uiso calc R 1 . .
C C4 1.1354(6) 0.3154(6) 0.5844(2) 0.0906(16) Uani d . 1 . .
H H4 1.2162 0.2959 0.5800 0.109 Uiso calc R 1 . .
C C5 1.0115(6) 0.2220(6) 0.6044(2) 0.0864(15) Uani d . 1 . .
H H5 1.0082 0.1391 0.6135 0.104 Uiso calc R 1 . .
C C6 0.8916(5) 0.2502(4) 0.61133(19) 0.0640(10) Uani d . 1 . .
H H6 0.8079 0.1865 0.6253 0.077 Uiso calc R 1 . .
C C7 0.6165(3) 0.3202(3) 0.54114(13) 0.0413(6) Uani d . 1 . .
C C8 0.6247(6) 0.2111(5) 0.50558(19) 0.0770(13) Uani d . 1 . .
H H8 0.6995 0.1853 0.5123 0.092 Uiso calc R 1 . .
C C9 0.5221(7) 0.1398(6) 0.4599(2) 0.0991(19) Uani d . 1 . .
H H9 0.5282 0.0658 0.4363 0.119 Uiso calc R 1 . .
C C10 0.4126(5) 0.1765(4) 0.44895(18) 0.0720(12) Uani d . 1 . .
H H10 0.3434 0.1274 0.4184 0.086 Uiso calc R 1 . .
C C11 0.4052(4) 0.2855(4) 0.48304(17) 0.0629(10) Uani d . 1 . .
H H11 0.3317 0.3123 0.4753 0.076 Uiso calc R 1 . .
C C12 0.5062(4) 0.3570(4) 0.52921(15) 0.0528(8) Uani d . 1 . .
H H12 0.4992 0.4310 0.5525 0.063 Uiso calc R 1 . .
C C13 0.3674(4) 0.1330(4) 0.87188(16) 0.0552(8) Uani d . 1 . .
C C14 0.3001(5) 0.0020(5) 0.8382(2) 0.0762(13) Uani d . 1 . .
H H14 0.3096 -0.0051 0.7994 0.091 Uiso calc R 1 . .
C C15 0.2197(6) -0.1179(5) 0.8606(3) 0.0896(15) Uani d . 1 . .
H H15 0.1756 -0.2050 0.8375 0.108 Uiso calc R 1 . .
C C16 0.2062(6) -0.1063(6) 0.9175(3) 0.0957(17) Uani d . 1 . .
H H16 0.1498 -0.1861 0.9329 0.115 Uiso calc R 1 . .
C C17 0.2725(8) 0.0178(7) 0.9516(3) 0.110(2) Uani d . 1 . .
H H17 0.2637 0.0226 0.9904 0.132 Uiso calc R 1 . .
C C18 0.3546(7) 0.1400(5) 0.9293(2) 0.0876(15) Uani d . 1 . .
H H18 0.4004 0.2258 0.9533 0.105 Uiso calc R 1 . .
C C19 0.3316(4) 0.3238(4) 0.80632(16) 0.0580(9) Uani d . 1 . .
C C20 0.1798(6) 0.2294(6) 0.8039(3) 0.1047(19) Uani d . 1 B .
H H20 0.1489 0.1464 0.8188 0.126 Uiso calc R 1 . .
C C21 0.0774(7) 0.2653(8) 0.7783(3) 0.120(2) Uani d . 1 . .
H H21 -0.0224 0.2049 0.7758 0.144 Uiso calc R 1 B .
C C22 0.1238(7) 0.3876(7) 0.7573(3) 0.0986(17) Uani d . 1 B .
H H22 0.0576 0.4057 0.7366 0.118 Uiso calc R 1 A 1
C C23A 0.2620(12) 0.4801(12) 0.7664(6) 0.120(4) Uani d PU 0.721(13) B 1
H H23A 0.2900 0.5707 0.7589 0.144 Uiso calc PR 0.721(13) B 1
C C24A 0.3672(9) 0.4430(10) 0.7871(5) 0.097(3) Uani d PU 0.721(13) B 1
H H24A 0.4661 0.5046 0.7874 0.116 Uiso calc PR 0.721(13) B 1
C C23B 0.245(2) 0.397(3) 0.7331(9) 0.081(6) Uani d PU 0.279(13) B 2
H H23B 0.2656 0.4355 0.7000 0.097 Uiso calc PR 0.279(13) B 2
C C24B 0.343(2) 0.352(3) 0.7540(10) 0.089(6) Uani d PU 0.279(13) B 2
H H24B 0.4141 0.3421 0.7319 0.107 Uiso calc PR 0.279(13) B 2
C C25 0.7966(4) 0.5871(4) 0.96474(15) 0.0586(9) Uani d . 1 . .
C C26 0.7835(8) 0.4771(6) 0.9929(2) 0.107(2) Uani d . 1 . .
H H26 0.7258 0.3844 0.9765 0.128 Uiso calc R 1 . .
C C27 0.8574(12) 0.5080(10) 1.0455(3) 0.156(4) Uani d . 1 . .
H H27 0.8484 0.4352 1.0646 0.187 Uiso calc R 1 . .
C C28 0.9427(9) 0.6421(10) 1.0699(2) 0.127(3) Uani d . 1 . .
H H28 0.9911 0.6606 1.1055 0.152 Uiso calc R 1 . .
C C29 0.9579(7) 0.7498(7) 1.0424(2) 0.1047(19) Uani d . 1 . .
H H29 1.0184 0.8418 1.0588 0.126 Uiso calc R 1 . .
C C30 0.8831(5) 0.7222(5) 0.99010(19) 0.0776(12) Uani d . 1 . .
H H30 0.8916 0.7962 0.9719 0.093 Uiso calc R 1 . .
C C31 0.6861(5) 0.6984(4) 0.88311(17) 0.0619(9) Uani d . 1 B .
C C32 0.5663(7) 0.7108(7) 0.9052(3) 0.111(2) Uani d . 1 B .
H H32 0.4996 0.6419 0.9238 0.133 Uiso calc R 1 . .
C C33 0.5481(11) 0.8326(10) 0.8989(4) 0.148(3) Uani d . 1 . .
H H33 0.4668 0.8403 0.9138 0.178 Uiso calc R 1 C 3
C C34A 0.629(4) 0.926(2) 0.8758(11) 0.112(8) Uani d P 0.71(7) D 3
H H34A 0.6132 1.0050 0.8749 0.135 Uiso calc PR 0.71(7) D 3
C C35A 0.743(4) 0.914(2) 0.8511(7) 0.086(6) Uani d P 0.71(7) D 3
H H35A 0.7993 0.9813 0.8298 0.103 Uiso calc PR 0.71(7) D 3
C C34B 0.677(5) 0.944(5) 0.860(2) 0.084(11) Uani d P 0.29(7) D 4
H H34B 0.6607 1.0144 0.8473 0.101 Uiso calc PR 0.29(7) D 4
C C35B 0.804(6) 0.932(4) 0.8483(17) 0.071(8) Uani d P 0.29(7) D 4
H H35B 0.8893 0.9999 0.8370 0.085 Uiso calc PR 0.29(7) D 4
C C36 0.7814(6) 0.8013(5) 0.8561(2) 0.0790(13) Uani d . 1 . .
H H36 0.8657 0.7989 0.8418 0.095 Uiso calc R 1 D 3
C C37 0.7337(4) 0.7682(3) 0.67965(14) 0.0489(7) Uani d . 1 . .
C C38 0.5841(5) 0.6851(5) 0.6757(2) 0.0793(13) Uani d . 1 . .
H H38 0.5474 0.5885 0.6648 0.095 Uiso calc R 1 . .
C C39 0.4883(6) 0.7448(6) 0.6880(3) 0.1044(19) Uani d . 1 . .
H H39 0.3875 0.6880 0.6845 0.125 Uiso calc R 1 . .
C C40 0.5400(7) 0.8856(6) 0.7053(2) 0.0897(15) Uani d . 1 . .
H H40 0.4752 0.9244 0.7150 0.108 Uiso calc R 1 . .
C C41 0.6860(6) 0.9683(5) 0.70833(19) 0.0745(12) Uani d . 1 . .
H H41 0.7211 1.0648 0.7190 0.089 Uiso calc R 1 . .
C C42 0.7838(5) 0.9124(4) 0.69590(17) 0.0609(9) Uani d . 1 . .
H H42 0.8841 0.9712 0.6984 0.073 Uiso calc R 1 . .
C C43 1.0174(4) 0.8296(3) 0.63714(14) 0.0448(7) Uani d . 1 . .
C C44 1.1319(4) 0.9254(4) 0.67540(18) 0.0662(11) Uani d . 1 . .
H H44 1.1286 0.9183 0.7137 0.079 Uiso calc R 1 . .
C C45 1.2513(5) 1.0315(5) 0.6567(2) 0.0773(13) Uani d . 1 . .
H H45 1.3279 1.0958 0.6825 0.093 Uiso calc R 1 . .
C C46 1.2566(4) 1.0421(4) 0.6001(2) 0.0654(10) Uani d . 1 . .
H H46 1.3376 1.1123 0.5875 0.078 Uiso calc R 1 . .
C C47 1.1428(4) 0.9494(4) 0.56251(18) 0.0608(9) Uani d . 1 . .
H H47 1.1460 0.9579 0.5243 0.073 Uiso calc R 1 . .
C C48 1.0225(4) 0.8429(3) 0.58052(15) 0.0507(8) Uani d . 1 . .
H H48 0.9453 0.7805 0.5546 0.061 Uiso calc R 1 . .
N N1 0.7810(3) 0.5722(2) 0.60647(11) 0.0416(5) Uani d . 1 . .
N N2 0.5590(3) 0.4148(3) 0.89129(13) 0.0562(7) Uani d . 1 . .
P P1 0.73768(8) 0.41014(7) 0.60417(3) 0.03652(15) Uani d . 1 . .
P P2 0.46930(10) 0.28923(9) 0.84166(4) 0.04727(18) Uani d . 1 B .
P P3 0.71250(10) 0.54698(9) 0.89377(4) 0.04749(19) Uani d . 1 B .
P P4 0.85814(8) 0.69144(7) 0.66001(3) 0.03865(16) Uani d . 1 B .
S S1 0.61827(9) 0.31817(8) 0.66701(3) 0.04800(18) Uani d . 1 . .
S S2 0.58863(10) 0.23147(8) 0.78461(4) 0.04756(18) Uani d . 1 . .
S S3 0.86728(9) 0.52805(9) 0.84426(3) 0.04726(17) Uani d . 1 . .
S S4 0.93207(9) 0.63793(8) 0.72772(4) 0.04849(18) Uani d . 1 . .
Pt Pt1 0.746243(12) 0.437756(11) 0.754094(4) 0.03693(4) Uani d . 1 B .
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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C6 C1 C2 . . 118.6(3) ?
C6 C1 P1 . . 121.4(3) ?
C2 C1 P1 . . 119.9(3) ?
C3 C2 C1 . . 120.6(4) ?
C3 C2 H2 . . 119.7 ?
C1 C2 H2 . . 119.7 ?
C4 C3 C2 . . 119.6(4) ?
C4 C3 H3 . . 120.2 ?
C2 C3 H3 . . 120.2 ?
C5 C4 C3 . . 120.5(4) ?
C5 C4 H4 . . 119.8 ?
C3 C4 H4 . . 119.8 ?
C4 C5 C6 . . 120.3(4) ?
C4 C5 H5 . . 119.9 ?
C6 C5 H5 . . 119.9 ?
C5 C6 C1 . . 120.4(4) ?
C5 C6 H6 . . 119.8 ?
C1 C6 H6 . . 119.8 ?
C12 C7 C8 . . 118.2(3) ?
C12 C7 P1 . . 118.8(2) ?
C8 C7 P1 . . 122.9(3) ?
C7 C8 C9 . . 120.2(4) ?
C7 C8 H8 . . 119.9 ?
C9 C8 H8 . . 119.9 ?
C10 C9 C8 . . 120.8(4) ?
C10 C9 H9 . . 119.6 ?
C8 C9 H9 . . 119.6 ?
C11 C10 C9 . . 119.4(4) ?
C11 C10 H10 . . 120.3 ?
C9 C10 H10 . . 120.3 ?
C10 C11 C12 . . 120.5(4) ?
C10 C11 H11 . . 119.8 ?
C12 C11 H11 . . 119.8 ?
C7 C12 C11 . . 120.9(3) ?
C7 C12 H12 . . 119.6 ?
C11 C12 H12 . . 119.6 ?
C18 C13 C14 . . 117.8(4) ?
C18 C13 P2 . . 120.9(3) ?
C14 C13 P2 . . 121.3(3) ?
C15 C14 C13 . . 121.9(5) ?
C15 C14 H14 . . 119.0 ?
C13 C14 H14 . . 119.0 ?
C16 C15 C14 . . 118.5(5) ?
C16 C15 H15 . . 120.7 ?
C14 C15 H15 . . 120.7 ?
C17 C16 C15 . . 121.4(5) ?
C17 C16 H16 . . 119.3 ?
C15 C16 H16 . . 119.3 ?
C16 C17 C18 . . 120.4(5) ?
C16 C17 H17 . . 119.8 ?
C18 C17 H17 . . 119.8 ?
C13 C18 C17 . . 119.8(5) ?
C13 C18 H18 . . 120.1 ?
C17 C18 H18 . . 120.1 ?
C24A C19 C24B . . 49.2(10) ?
C24A C19 C20 . . 117.7(5) ?
C24B C19 C20 . . 100.7(10) ?
C24A C19 P2 . . 121.2(4) ?
C24B C19 P2 . . 121.7(9) ?
C20 C19 P2 . . 120.7(4) ?
C21 C20 C19 . . 118.1(6) ?
C21 C20 H20 . . 120.9 ?
C19 C20 H20 . . 120.9 ?
C22 C21 C20 . . 120.4(6) ?
C22 C21 H21 . . 119.8 ?
C20 C21 H21 . . 119.8 ?
C23A C22 C23B . . 47.3(10) ?
C23A C22 C21 . . 119.9(6) ?
C23B C22 C21 . . 102.8(10) ?
C23A C22 H22 . . 120.1 ?
C23B C22 H22 . . 117.1 ?
C21 C22 H22 . . 120.1 ?
C22 C23A C24A . . 120.2(8) ?
C22 C23A H23A . . 119.9 ?
C24A C23A H23A . . 119.9 ?
C19 C24A C23A . . 122.5(8) ?
C19 C24A H24A . . 118.7 ?
C23A C24A H24A . . 118.7 ?
C22 C23B C24B . . 124.3(16) ?
C22 C23B H23B . . 117.8 ?
C24B C23B H23B . . 117.8 ?
C19 C24B C23B . . 117.9(17) ?
C19 C24B H24B . . 121.0 ?
C23B C24B H24B . . 121.0 ?
C30 C25 C26 . . 118.9(4) ?
C30 C25 P3 . . 121.8(3) ?
C26 C25 P3 . . 119.1(4) ?
C27 C26 C25 . . 119.0(6) ?
C27 C26 H26 . . 120.5 ?
C25 C26 H26 . . 120.5 ?
C28 C27 C26 . . 121.3(7) ?
C28 C27 H27 . . 119.3 ?
C26 C27 H27 . . 119.3 ?
C27 C28 C29 . . 120.2(6) ?
C27 C28 H28 . . 119.9 ?
C29 C28 H28 . . 119.9 ?
C28 C29 C30 . . 119.8(6) ?
C28 C29 H29 . . 120.1 ?
C30 C29 H29 . . 120.1 ?
C25 C30 C29 . . 120.8(5) ?
C25 C30 H30 . . 119.6 ?
C29 C30 H30 . . 119.6 ?
C36 C31 C32 . . 119.5(5) ?
C36 C31 P3 . . 122.9(4) ?
C32 C31 P3 . . 117.5(4) ?
C31 C32 C33 . . 117.8(7) ?
C31 C32 H32 . . 121.1 ?
C33 C32 H32 . . 121.1 ?
C34A C33 C32 . . 125.2(15) ?
C32 C33 C34B . . 114.4(18) ?
C34A C33 H33 . . 117.4 ?
C32 C33 H33 . . 117.4 ?
C34B C33 H33 . . 128.1 ?
C33 C34A C35A . . 118.6(15) ?
C33 C34A H34A . . 120.7 ?
C35A C34A H34A . . 120.7 ?
C34A C35A C36 . . 123.2(15) ?
C34A C35A H35A . . 118.4 ?
C36 C35A H35A . . 118.4 ?
C35B C34B C33 . . 122(3) ?
C35B C34B H34B . . 119.2 ?
C33 C34B H34B . . 119.2 ?
C36 C35B C34B . . 107(4) ?
C36 C35B H35B . . 126.6 ?
C34B C35B H35B . . 126.6 ?
C35B C36 C31 . . 137(2) ?
C31 C36 C35A . . 115.4(16) ?
C35B C36 H36 . . 100.0 ?
C31 C36 H36 . . 122.3 ?
C35A C36 H36 . . 122.3 ?
C38 C37 C42 . . 117.9(4) ?
C38 C37 P4 . . 120.2(3) ?
C42 C37 P4 . . 121.7(3) ?
C37 C38 C39 . . 120.3(4) ?
C37 C38 H38 . . 119.9 ?
C39 C38 H38 . . 119.9 ?
C40 C39 C38 . . 120.8(5) ?
C40 C39 H39 . . 119.6 ?
C38 C39 H39 . . 119.6 ?
C41 C40 C39 . . 119.4(4) ?
C41 C40 H40 . . 120.3 ?
C39 C40 H40 . . 120.3 ?
C40 C41 C42 . . 121.2(4) ?
C40 C41 H41 . . 119.4 ?
C42 C41 H41 . . 119.4 ?
C41 C42 C37 . . 120.4(4) ?
C41 C42 H42 . . 119.8 ?
C37 C42 H42 . . 119.8 ?
C48 C43 C44 . . 119.3(3) ?
C48 C43 P4 . . 119.2(2) ?
C44 C43 P4 . . 121.5(3) ?
C45 C44 C43 . . 120.2(4) ?
C45 C44 H44 . . 119.9 ?
C43 C44 H44 . . 119.9 ?
C46 C45 C44 . . 120.0(4) ?
C46 C45 H45 . . 120.0 ?
C44 C45 H45 . . 120.0 ?
C47 C46 C45 . . 119.9(3) ?
C47 C46 H46 . . 120.1 ?
C45 C46 H46 . . 120.1 ?
C46 C47 C48 . . 120.8(4) ?
C46 C47 H47 . . 119.6 ?
C48 C47 H47 . . 119.6 ?
C43 C48 C47 . . 119.8(3) ?
C43 C48 H48 . . 120.1 ?
C47 C48 H48 . . 120.1 ?
P1 N1 P4 . . 125.54(17) ?
P3 N2 P2 . . 131.51(19) ?
N1 P1 C1 . . 112.15(15) ?
N1 P1 C7 . . 106.37(14) ?
C1 P1 C7 . . 107.27(15) ?
N1 P1 S1 . . 116.37(11) ?
C1 P1 S1 . . 110.13(11) ?
C7 P1 S1 . . 103.75(10) ?
N2 P2 C13 . . 108.81(18) ?
N2 P2 C19 . . 110.03(18) ?
C13 P2 C19 . . 105.46(18) ?
N2 P2 S2 . . 116.77(12) ?
C13 P2 S2 . . 103.90(13) ?
C19 P2 S2 . . 111.06(13) ?
N2 P3 C25 . . 107.48(18) ?
N2 P3 C31 . . 110.2(2) ?
C25 P3 C31 . . 105.70(19) ?
N2 P3 S3 . . 117.98(12) ?
C25 P3 S3 . . 103.84(13) ?
C31 P3 S3 . . 110.71(15) ?
N1 P4 C43 . . 107.67(15) ?
N1 P4 C37 . . 107.40(15) ?
C43 P4 C37 . . 105.66(15) ?
N1 P4 S4 . . 117.64(10) ?
C43 P4 S4 . . 105.99(11) ?
C37 P4 S4 . . 111.77(12) ?
P1 S1 Pt1 . . 109.16(4) ?
P2 S2 Pt1 . . 104.97(4) ?
P3 S3 Pt1 . . 104.36(4) ?
P4 S4 Pt1 . . 110.20(4) ?
S2 Pt1 S1 . . 82.41(3) ?
S2 Pt1 S3 . . 90.87(3) ?
S1 Pt1 S3 . . 172.36(3) ?
S2 Pt1 S4 . . 171.73(3) ?
S1 Pt1 S4 . . 101.46(3) ?
S3 Pt1 S4 . . 84.75(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C6 . 1.386(5) ?
C1 C2 . 1.388(5) ?
C1 P1 . 1.800(3) ?
C2 C3 . 1.381(6) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.372(7) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.365(7) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.375(6) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C7 C12 . 1.373(5) ?
C7 C8 . 1.378(5) ?
C7 P1 . 1.800(3) ?
C8 C9 . 1.384(6) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.360(7) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.355(6) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.384(5) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 C18 . 1.376(6) ?
C13 C14 . 1.388(6) ?
C13 P2 . 1.802(4) ?
C14 C15 . 1.378(6) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.361(8) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.340(8) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.397(7) ?
C17 H17 . 0.9300 ?
C18 H18 . 0.9300 ?
C19 C24A . 1.319(8) ?
C19 C24B . 1.32(2) ?
C19 C20 . 1.422(7) ?
C19 P2 . 1.817(4) ?
C20 C21 . 1.412(8) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.359(9) ?
C21 H21 . 0.9300 ?
C22 C23A . 1.312(11) ?
C22 C23B . 1.33(2) ?
C22 H22 . 0.9300 ?
C23A C24A . 1.395(12) ?
C23A H23A . 0.9300 ?
C24A H24A . 0.9300 ?
C23B C24B . 1.39(3) ?
C23B H23B . 0.9300 ?
C24B H24B . 0.9300 ?
C25 C30 . 1.369(6) ?
C25 C26 . 1.396(6) ?
C25 P3 . 1.801(4) ?
C26 C27 . 1.381(8) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.352(11) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.359(10) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.384(7) ?
C29 H29 . 0.9300 ?
C30 H30 . 0.9300 ?
C31 C36 . 1.362(7) ?
C31 C32 . 1.377(7) ?
C31 P3 . 1.803(4) ?
C32 C33 . 1.421(9) ?
C32 H32 . 0.9300 ?
C33 C34A . 1.19(4) ?
C33 C34B . 1.72(6) ?
C33 H33 . 0.9300 ?
C34A C35A . 1.35(2) ?
C34A H34A . 0.9300 ?
C35A C36 . 1.432(18) ?
C35A H35A . 0.9300 ?
C34B C35B . 1.37(4) ?
C34B H34B . 0.9300 ?
C35B C36 . 1.35(4) ?
C35B H35B . 0.9300 ?
C36 H36 . 0.9300 ?
C37 C38 . 1.379(6) ?
C37 C42 . 1.393(5) ?
C37 P4 . 1.809(3) ?
C38 C39 . 1.385(6) ?
C38 H38 . 0.9300 ?
C39 C40 . 1.363(7) ?
C39 H39 . 0.9300 ?
C40 C41 . 1.349(7) ?
C40 H40 . 0.9300 ?
C41 C42 . 1.375(6) ?
C41 H41 . 0.9300 ?
C42 H42 . 0.9300 ?
C43 C48 . 1.381(5) ?
C43 C44 . 1.386(5) ?
C43 P4 . 1.808(3) ?
C44 C45 . 1.384(5) ?
C44 H44 . 0.9300 ?
C45 C46 . 1.375(6) ?
C45 H45 . 0.9300 ?
C46 C47 . 1.365(6) ?
C46 H46 . 0.9300 ?
C47 C48 . 1.384(5) ?
C47 H47 . 0.9300 ?
C48 H48 . 0.9300 ?
N1 P1 . 1.588(2) ?
N1 P4 . 1.593(3) ?
N2 P3 . 1.579(3) ?
N2 P2 . 1.586(3) ?
P1 S1 . 2.0278(11) ?
P2 S2 . 2.0333(12) ?
P3 S3 . 2.0325(12) ?
P4 S4 . 2.0304(11) ?
S1 Pt1 . 2.3286(8) ?
S2 Pt1 . 2.3209(8) ?
S3 Pt1 . 2.3299(8) ?
S4 Pt1 . 2.3339(8) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . -1.5(6) ?
P1 C1 C2 C3 . . . . -179.4(4) ?
C1 C2 C3 C4 . . . . 1.7(8) ?
C2 C3 C4 C5 . . . . -0.8(9) ?
C3 C4 C5 C6 . . . . -0.3(9) ?
C4 C5 C6 C1 . . . . 0.6(8) ?
C2 C1 C6 C5 . . . . 0.3(7) ?
P1 C1 C6 C5 . . . . 178.2(4) ?
C12 C7 C8 C9 . . . . -1.2(7) ?
P1 C7 C8 C9 . . . . 175.6(4) ?
C7 C8 C9 C10 . . . . 0.5(9) ?
C8 C9 C10 C11 . . . . 0.7(9) ?
C9 C10 C11 C12 . . . . -1.3(7) ?
C8 C7 C12 C11 . . . . 0.6(6) ?
P1 C7 C12 C11 . . . . -176.3(3) ?
C10 C11 C12 C7 . . . . 0.6(6) ?
C18 C13 C14 C15 . . . . 1.5(7) ?
P2 C13 C14 C15 . . . . -178.8(4) ?
C13 C14 C15 C16 . . . . 0.2(8) ?
C14 C15 C16 C17 . . . . -1.9(10) ?
C15 C16 C17 C18 . . . . 1.7(11) ?
C14 C13 C18 C17 . . . . -1.7(8) ?
P2 C13 C18 C17 . . . . 178.7(5) ?
C16 C17 C18 C13 . . . . 0.1(10) ?
C24A C19 C20 C21 . . . . 3.5(10) ?
C24B C19 C20 C21 . . . . -45.8(13) ?
P2 C19 C20 C21 . . . . 177.0(5) ?
C19 C20 C21 C22 . . . . -0.8(11) ?
C20 C21 C22 C23A . . . . -7.6(14) ?
C20 C21 C22 C23B . . . . 40.2(14) ?
C23B C22 C23A C24A . . . . -66.5(14) ?
C21 C22 C23A C24A . . . . 13.0(17) ?
C24B C19 C24A C23A . . . . 81.6(15) ?
C20 C19 C24A C23A . . . . 1.8(14) ?
P2 C19 C24A C23A . . . . -171.7(9) ?
C22 C23A C24A C19 . . . . -10.3(18) ?
C23A C22 C23B C24B . . . . 84(2) ?
C21 C22 C23B C24B . . . . -35(3) ?
C24A C19 C24B C23B . . . . -65(2) ?
C20 C19 C24B C23B . . . . 52(2) ?
P2 C19 C24B C23B . . . . -171.0(15) ?
C22 C23B C24B C19 . . . . -14(3) ?
C30 C25 C26 C27 . . . . 0.3(10) ?
P3 C25 C26 C27 . . . . 175.1(6) ?
C25 C26 C27 C28 . . . . -0.5(13) ?
C26 C27 C28 C29 . . . . -0.4(14) ?
C27 C28 C29 C30 . . . . 1.5(12) ?
C26 C25 C30 C29 . . . . 0.8(8) ?
P3 C25 C30 C29 . . . . -173.8(4) ?
C28 C29 C30 C25 . . . . -1.8(9) ?
C36 C31 C32 C33 . . . . -0.2(9) ?
P3 C31 C32 C33 . . . . 177.7(6) ?
C31 C32 C33 C34A . . . . -0.1(17) ?
C31 C32 C33 C34B . . . . 3(2) ?
C32 C33 C34A C35A . . . . 4(3) ?
C34B C33 C34A C35A . . . . -12(10) ?
C33 C34A C35A C36 . . . . -7(3) ?
C34A C33 C34B C35B . . . . 152(15) ?
C32 C33 C34B C35B . . . . -14(5) ?
C33 C34B C35B C36 . . . . 18(6) ?
C34B C35B C36 C31 . . . . -18(5) ?
C34B C35B C36 C35A . . . . 9(4) ?
C32 C31 C36 C35B . . . . 9(3) ?
P3 C31 C36 C35B . . . . -169(3) ?
C32 C31 C36 C35A . . . . -2.6(11) ?
P3 C31 C36 C35A . . . . 179.7(9) ?
C34A C35A C36 C35B . . . . -154(6) ?
C34A C35A C36 C31 . . . . 6(2) ?
C42 C37 C38 C39 . . . . -0.4(7) ?
P4 C37 C38 C39 . . . . -176.8(5) ?
C37 C38 C39 C40 . . . . -1.4(10) ?
C38 C39 C40 C41 . . . . 2.6(10) ?
C39 C40 C41 C42 . . . . -2.0(9) ?
C40 C41 C42 C37 . . . . 0.2(7) ?
C38 C37 C42 C41 . . . . 0.9(6) ?
P4 C37 C42 C41 . . . . 177.3(3) ?
C48 C43 C44 C45 . . . . -1.2(6) ?
P4 C43 C44 C45 . . . . -178.9(4) ?
C43 C44 C45 C46 . . . . -0.1(7) ?
C44 C45 C46 C47 . . . . 1.2(7) ?
C45 C46 C47 C48 . . . . -1.1(7) ?
C44 C43 C48 C47 . . . . 1.4(5) ?
P4 C43 C48 C47 . . . . 179.1(3) ?
C46 C47 C48 C43 . . . . -0.2(6) ?
P4 N1 P1 C1 . . . . -76.6(2) ?
P4 N1 P1 C7 . . . . 166.4(2) ?
P4 N1 P1 S1 . . . . 51.4(2) ?
C6 C1 P1 N1 . . . . 160.7(3) ?
C2 C1 P1 N1 . . . . -21.5(3) ?
C6 C1 P1 C7 . . . . -82.9(3) ?
C2 C1 P1 C7 . . . . 94.9(3) ?
C6 C1 P1 S1 . . . . 29.4(3) ?
C2 C1 P1 S1 . . . . -152.8(3) ?
C12 C7 P1 N1 . . . . -44.6(3) ?
C8 C7 P1 N1 . . . . 138.6(4) ?
C12 C7 P1 C1 . . . . -164.8(3) ?
C8 C7 P1 C1 . . . . 18.4(4) ?
C12 C7 P1 S1 . . . . 78.6(3) ?
C8 C7 P1 S1 . . . . -98.1(4) ?
P3 N2 P2 C13 . . . . 147.7(3) ?
P3 N2 P2 C19 . . . . -97.2(3) ?
P3 N2 P2 S2 . . . . 30.5(3) ?
C18 C13 P2 N2 . . . . 11.3(4) ?
C14 C13 P2 N2 . . . . -168.3(4) ?
C18 C13 P2 C19 . . . . -106.7(4) ?
C14 C13 P2 C19 . . . . 73.7(4) ?
C18 C13 P2 S2 . . . . 136.4(4) ?
C14 C13 P2 S2 . . . . -43.2(4) ?
C24A C19 P2 N2 . . . . 52.1(7) ?
C24B C19 P2 N2 . . . . 110.5(14) ?
C20 C19 P2 N2 . . . . -121.1(4) ?
C24A C19 P2 C13 . . . . 169.3(7) ?
C24B C19 P2 C13 . . . . -132.3(14) ?
C20 C19 P2 C13 . . . . -3.9(5) ?
C24A C19 P2 S2 . . . . -78.7(7) ?
C24B C19 P2 S2 . . . . -20.3(14) ?
C20 C19 P2 S2 . . . . 108.1(4) ?
P2 N2 P3 C25 . . . . -147.3(3) ?
P2 N2 P3 C31 . . . . 98.0(3) ?
P2 N2 P3 S3 . . . . -30.5(3) ?
C30 C25 P3 N2 . . . . -145.9(4) ?
C26 C25 P3 N2 . . . . 39.5(5) ?
C30 C25 P3 C31 . . . . -28.3(4) ?
C26 C25 P3 C31 . . . . 157.1(4) ?
C30 C25 P3 S3 . . . . 88.3(4) ?
C26 C25 P3 S3 . . . . -86.3(4) ?
C36 C31 P3 N2 . . . . -146.5(4) ?
C32 C31 P3 N2 . . . . 35.7(5) ?
C36 C31 P3 C25 . . . . 97.6(4) ?
C32 C31 P3 C25 . . . . -80.2(5) ?
C36 C31 P3 S3 . . . . -14.2(4) ?
C32 C31 P3 S3 . . . . 168.0(4) ?
P1 N1 P4 C43 . . . . 128.1(2) ?
P1 N1 P4 C37 . . . . -118.5(2) ?
P1 N1 P4 S4 . . . . 8.5(2) ?
C48 C43 P4 N1 . . . . 22.8(3) ?
C44 C43 P4 N1 . . . . -159.5(3) ?
C48 C43 P4 C37 . . . . -91.7(3) ?
C44 C43 P4 C37 . . . . 85.9(3) ?
C48 C43 P4 S4 . . . . 149.5(2) ?
C44 C43 P4 S4 . . . . -32.8(3) ?
C38 C37 P4 N1 . . . . 37.4(4) ?
C42 C37 P4 N1 . . . . -138.9(3) ?
C38 C37 P4 C43 . . . . 152.1(4) ?
C42 C37 P4 C43 . . . . -24.1(3) ?
C38 C37 P4 S4 . . . . -93.0(4) ?
C42 C37 P4 S4 . . . . 90.7(3) ?
N1 P1 S1 Pt1 . . . . -57.10(12) ?
C1 P1 S1 Pt1 . . . . 71.94(12) ?
C7 P1 S1 Pt1 . . . . -173.53(11) ?
N2 P2 S2 Pt1 . . . . -52.29(15) ?
C13 P2 S2 Pt1 . . . . -172.08(13) ?
C19 P2 S2 Pt1 . . . . 74.98(15) ?
N2 P3 S3 Pt1 . . . . 51.52(15) ?
C25 P3 S3 Pt1 . . . . 170.28(14) ?
C31 P3 S3 Pt1 . . . . -76.69(14) ?
N1 P4 S4 Pt1 . . . . -51.14(13) ?
C43 P4 S4 Pt1 . . . . -171.57(11) ?
C37 P4 S4 Pt1 . . . . 73.80(13) ?
P2 S2 Pt1 S1 . . . . -118.08(5) ?
P2 S2 Pt1 S3 . . . . 65.56(5) ?
P1 S1 Pt1 S2 . . . . -161.21(5) ?
P1 S1 Pt1 S4 . . . . 11.37(5) ?
P3 S3 Pt1 S2 . . . . -64.69(5) ?
P3 S3 Pt1 S4 . . . . 122.34(5) ?
P4 S4 Pt1 S1 . . . . 32.08(5) ?
P4 S4 Pt1 S3 . . . . -152.41(5) ?
