#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/55/7005517.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_7005517
loop_
_publ_author_name
'Bennett, Martin A.'
'Bhargava, Suresh K.'
'Messelhäuser, Johannes'
'Privér, Steven H'
'Welling, Lee L.'
'Willis, Anthony C.'
_publ_section_title
;
 ortho-Metallated complexes of platinum(II) and diplatinum(I)
 containing the carbanions (2-diphenylphosphino)phenyl and
 (2-diphenylphosphino)-n-tolyl (n = 5, 6).
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3158
_journal_page_last               3169
_journal_paper_doi               10.1039/b702808c
_journal_year                    2007
_chemical_compound_source        'from RMITU'
_chemical_formula_moiety         'C38 H32 P2 Pt '
_chemical_formula_sum            'C38 H32 P2 Pt'
_chemical_formula_weight         745.71
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.5555(8)
_cell_angle_beta                 96.9372(7)
_cell_angle_gamma                109.3427(8)
_cell_formula_units_Z            2
_cell_length_a                   8.9749(1)
_cell_length_b                   9.0823(1)
_cell_length_c                   21.0062(3)
_cell_measurement_reflns_used    57226
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      2.910
_cell_volume                     1581.92(3)
_computing_cell_refinement
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      200.0
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ' ω scans'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.06134
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            44162
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        30.
_diffrn_reflns_theta_max         30.12
_diffrn_reflns_theta_min         2.93
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.543
_exptl_absorpt_correction_T_max  0.653
_exptl_absorpt_correction_T_min  0.300
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'diamond-shaped plate'
_exptl_crystal_F_000             736.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.19
_refine_diff_density_min         -1.95
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.962
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7951
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.0290
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00022|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0391
_refine_ls_wR_factor_ref         0.0361
_reflns_number_gt                7951
_reflns_number_total             9261
_reflns_threshold_expression     I>2.00σ(I)
_cod_data_source_file            b702808c.txt
_cod_data_source_block           1_shp2_with_numabs
_cod_original_cell_volume        1581.92(4)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C38 H32 P2 Pt '
_cod_database_code               7005517
loop_
_symmetry_equiv_pos_as_xyz
' +x, +y, +z'
' -x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Pt(1) 0.03419(1) 0.35743(1) 0.233835(6) 0.02434(4) 1.000 . Uani d ?
P(1) 0.0156(1) 0.3690(1) 0.34268(5) 0.0274(2) 1.000 . Uani d ?
P(2) -0.1521(1) 0.1473(1) 0.16262(5) 0.0242(2) 1.000 . Uani d ?
C(1) 0.1794(4) 0.5534(4) 0.3529(2) 0.0294(9) 1.000 . Uani d ?
C(2) 0.2088(4) 0.5560(4) 0.2887(2) 0.0279(8) 1.000 . Uani d ?
C(3) 0.3398(5) 0.6785(4) 0.2776(2) 0.036(1) 1.000 . Uani d ?
C(4) 0.4398(5) 0.7949(4) 0.3287(2) 0.040(1) 1.000 . Uani d ?
C(5) 0.4049(5) 0.7894(5) 0.3918(2) 0.044(1) 1.000 . Uani d ?
C(6) 0.2761(5) 0.6707(5) 0.4043(2) 0.039(1) 1.000 . Uani d ?
C(7) 0.5866(6) 0.9221(6) 0.3167(3) 0.068(2) 1.000 . Uani d ?
C(8) 0.0731(4) 0.2388(4) 0.3921(2) 0.0292(9) 1.000 . Uani d ?
C(9) 0.0630(5) 0.0918(5) 0.3607(2) 0.043(1) 1.000 . Uani d ?
C(10) 0.1169(6) -0.0075(5) 0.3953(3) 0.056(1) 1.000 . Uani d ?
C(11) 0.1789(6) 0.0381(6) 0.4603(3) 0.055(1) 1.000 . Uani d ?
C(12) 0.1877(6) 0.1833(6) 0.4918(2) 0.051(1) 1.000 . Uani d ?
C(13) 0.1353(5) 0.2836(5) 0.4579(2) 0.041(1) 1.000 . Uani d ?
C(14) -0.1586(4) 0.3973(4) 0.3702(2) 0.034(1) 1.000 . Uani d ?
C(15) -0.2171(6) 0.5019(6) 0.3411(3) 0.055(2) 1.000 . Uani d ?
C(16) -0.3655(8) 0.5098(8) 0.3525(3) 0.076(2) 1.000 . Uani d ?
C(17) -0.4504(6) 0.4197(8) 0.3919(3) 0.073(2) 1.000 . Uani d ?
C(18) -0.3939(5) 0.3167(7) 0.4211(3) 0.061(2) 1.000 . Uani d ?
C(19) -0.2468(5) 0.3066(5) 0.4104(2) 0.042(1) 1.000 . Uani d ?
C(20) -0.0381(4) 0.2308(4) 0.1017(2) 0.0258(8) 1.000 . Uani d ?
C(21) 0.0670(4) 0.3721(4) 0.1392(2) 0.0263(8) 1.000 . Uani d ?
C(22) 0.1685(4) 0.4782(4) 0.1066(2) 0.0307(9) 1.000 . Uani d ?
C(23) 0.1695(4) 0.4421(5) 0.0408(2) 0.034(1) 1.000 . Uani d ?
C(24) 0.0661(5) 0.2949(5) 0.0060(2) 0.037(1) 1.000 . Uani d ?
C(25) -0.0397(4) 0.1882(4) 0.0358(2) 0.0339(9) 1.000 . Uani d ?
C(26) 0.2798(5) 0.5580(6) 0.0064(2) 0.049(1) 1.000 . Uani d ?
C(27) -0.3524(4) 0.1537(4) 0.1439(2) 0.0278(9) 1.000 . Uani d ?
C(28) -0.4241(5) 0.1941(5) 0.1957(2) 0.038(1) 1.000 . Uani d ?
C(29) -0.5751(5) 0.2075(6) 0.1823(3) 0.049(1) 1.000 . Uani d ?
C(30) -0.6497(5) 0.1856(5) 0.1196(3) 0.047(1) 1.000 . Uani d ?
C(31) -0.5784(5) 0.1494(5) 0.0685(2) 0.043(1) 1.000 . Uani d ?
C(32) -0.4299(4) 0.1328(5) 0.0806(2) 0.036(1) 1.000 . Uani d ?
C(33) -0.1771(4) -0.0607(4) 0.1626(2) 0.0275(8) 1.000 . Uani d ?
C(34) -0.0418(5) -0.0967(5) 0.1824(2) 0.039(1) 1.000 . Uani d ?
C(35) -0.0535(5) -0.2508(5) 0.1857(2) 0.044(1) 1.000 . Uani d ?
C(36) -0.2003(6) -0.3706(5) 0.1708(2) 0.047(1) 1.000 . Uani d ?
C(37) -0.3352(5) -0.3365(5) 0.1512(3) 0.047(1) 1.000 . Uani d ?
C(38) -0.3254(5) -0.1825(4) 0.1466(2) 0.039(1) 1.000 . Uani d ?
H(1) 0.3618 0.6832 0.2346 0.044 1.000 . Uiso c ?
H(2) 0.4716 0.8693 0.4266 0.053 1.000 . Uiso c ?
H(3) 0.2529 0.6682 0.4472 0.046 1.000 . Uiso c ?
H(4) 0.0194 0.0593 0.3157 0.052 1.000 . Uiso c ?
H(5) 0.1108 -0.1078 0.3738 0.067 1.000 . Uiso c ?
H(6) 0.2159 -0.0302 0.4836 0.066 1.000 . Uiso c ?
H(7) 0.2298 0.2144 0.5369 0.062 1.000 . Uiso c ?
H(8) 0.1419 0.3837 0.4797 0.050 1.000 . Uiso c ?
H(9) -0.1574 0.5670 0.3140 0.066 1.000 . Uiso c ?
H(10) -0.4069 0.5796 0.3322 0.091 1.000 . Uiso c ?
H(11) -0.5499 0.4278 0.3994 0.088 1.000 . Uiso c ?
H(12) -0.4543 0.2528 0.4483 0.073 1.000 . Uiso c ?
H(13) -0.2068 0.2362 0.4310 0.051 1.000 . Uiso c ?
H(14) 0.2386 0.5777 0.1301 0.037 1.000 . Uiso c ?
H(15) 0.0691 0.2684 -0.0388 0.044 1.000 . Uiso c ?
H(16) -0.1110 0.0893 0.0122 0.041 1.000 . Uiso c ?
H(17) -0.3708 0.2122 0.2393 0.046 1.000 . Uiso c ?
H(18) -0.6261 0.2319 0.2171 0.059 1.000 . Uiso c ?
H(19) -0.7521 0.1956 0.1112 0.057 1.000 . Uiso c ?
H(20) -0.6309 0.1358 0.0250 0.051 1.000 . Uiso c ?
H(21) -0.3811 0.1070 0.0453 0.043 1.000 . Uiso c ?
H(22) 0.0598 -0.0144 0.1939 0.047 1.000 . Uiso c ?
H(23) 0.0403 -0.2743 0.1983 0.052 1.000 . Uiso c ?
H(24) -0.2084 -0.4764 0.1740 0.057 1.000 . Uiso c ?
H(25) -0.4364 -0.4195 0.1406 0.057 1.000 . Uiso c ?
H(26) -0.4192 -0.1602 0.1328 0.047 1.000 . Uiso c ?
H(27) 0.5976 0.9040 0.2724 0.082 1.000 . Uiso c ?
H(28) 0.6787 0.9199 0.3436 0.082 1.000 . Uiso c ?
H(29) 0.5760 1.0225 0.3267 0.082 1.000 . Uiso c ?
H(30) 0.2310 0.5453 -0.0376 0.058 1.000 . Uiso c ?
H(31) 0.3780 0.5391 0.0077 0.058 1.000 . Uiso c ?
H(32) 0.3000 0.6628 0.0273 0.058 1.000 . Uiso c ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 76 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 64 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
P 0 4 0.090 0.095
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Pt 0 2 -2.352 8.388
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 0 0.120
-1 0 0 0.130
0 1 0 0.130
0 -1 0 0.130
0 0 1 0.040
0 0 -1 0.060
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P(1) Pt(1) P(2) 117.37(3) . . . yes
P(1) Pt(1) C(2) 68.9(1) . . . yes
P(1) Pt(1) C(21) 173.8(1) . . . yes
P(2) Pt(1) C(2) 173.7(1) . . . yes
P(2) Pt(1) C(21) 68.6(1) . . . yes
C(2) Pt(1) C(21) 105.1(1) . . . yes
Pt(1) P(1) C(1) 84.7(1) . . . yes
Pt(1) P(1) C(8) 122.6(1) . . . yes
Pt(1) P(1) C(14) 119.3(1) . . . yes
C(1) P(1) C(8) 109.3(2) . . . yes
C(1) P(1) C(14) 111.2(2) . . . yes
C(8) P(1) C(14) 106.9(2) . . . yes
Pt(1) P(2) C(20) 84.5(1) . . . yes
Pt(1) P(2) C(27) 117.0(1) . . . yes
Pt(1) P(2) C(33) 125.3(1) . . . yes
C(20) P(2) C(27) 108.6(2) . . . yes
C(20) P(2) C(33) 112.7(2) . . . yes
C(27) P(2) C(33) 106.1(2) . . . yes
P(1) C(1) C(2) 100.7(2) . . . yes
P(1) C(1) C(6) 137.3(3) . . . yes
C(2) C(1) C(6) 121.7(3) . . . yes
Pt(1) C(2) C(1) 105.5(2) . . . yes
Pt(1) C(2) C(3) 136.6(3) . . . yes
C(1) C(2) C(3) 117.9(3) . . . yes
C(2) C(3) C(4) 121.1(4) . . . yes
C(2) C(3) H(1) 119.5 . . . no
C(4) C(3) H(1) 119.5 . . . no
C(3) C(4) C(5) 119.3(4) . . . yes
C(3) C(4) C(7) 120.7(4) . . . yes
C(5) C(4) C(7) 120.0(4) . . . yes
C(4) C(5) C(6) 121.0(4) . . . yes
C(4) C(5) H(2) 119.5 . . . no
C(6) C(5) H(2) 119.5 . . . no
C(1) C(6) C(5) 119.0(4) . . . yes
C(1) C(6) H(3) 120.5 . . . no
C(5) C(6) H(3) 120.5 . . . no
C(4) C(7) H(27) 109.5 . . . no
C(4) C(7) H(28) 109.5 . . . no
C(4) C(7) H(29) 109.5 . . . no
H(27) C(7) H(28) 109.5 . . . no
H(27) C(7) H(29) 109.5 . . . no
H(28) C(7) H(29) 109.5 . . . no
P(1) C(8) C(9) 117.4(3) . . . yes
P(1) C(8) C(13) 123.0(3) . . . yes
C(9) C(8) C(13) 119.4(3) . . . yes
C(8) C(9) C(10) 119.7(4) . . . yes
C(8) C(9) H(4) 120.1 . . . no
C(10) C(9) H(4) 120.1 . . . no
C(9) C(10) C(11) 120.4(4) . . . yes
C(9) C(10) H(5) 119.8 . . . no
C(11) C(10) H(5) 119.8 . . . no
C(10) C(11) C(12) 120.0(4) . . . yes
C(10) C(11) H(6) 120.0 . . . no
C(12) C(11) H(6) 120.0 . . . no
C(11) C(12) C(13) 120.1(4) . . . yes
C(11) C(12) H(7) 119.9 . . . no
C(13) C(12) H(7) 119.9 . . . no
C(8) C(13) C(12) 120.3(4) . . . yes
C(8) C(13) H(8) 119.9 . . . no
C(12) C(13) H(8) 119.9 . . . no
P(1) C(14) C(15) 116.4(3) . . . yes
P(1) C(14) C(19) 123.9(3) . . . yes
C(15) C(14) C(19) 119.0(4) . . . yes
C(14) C(15) C(16) 119.1(5) . . . yes
C(14) C(15) H(9) 120.5 . . . no
C(16) C(15) H(9) 120.5 . . . no
C(15) C(16) C(17) 121.1(5) . . . yes
C(15) C(16) H(10) 119.5 . . . no
C(17) C(16) H(10) 119.5 . . . no
C(16) C(17) C(18) 120.4(4) . . . yes
C(16) C(17) H(11) 119.8 . . . no
C(18) C(17) H(11) 119.8 . . . no
C(17) C(18) C(19) 119.5(5) . . . yes
C(17) C(18) H(12) 120.3 . . . no
C(19) C(18) H(12) 120.3 . . . no
C(14) C(19) C(18) 120.9(4) . . . yes
C(14) C(19) H(13) 119.6 . . . no
C(18) C(19) H(13) 119.6 . . . no
P(2) C(20) C(21) 99.7(2) . . . yes
P(2) C(20) C(25) 136.6(3) . . . yes
C(21) C(20) C(25) 123.7(3) . . . yes
Pt(1) C(21) C(20) 106.3(2) . . . yes
Pt(1) C(21) C(22) 136.9(3) . . . yes
C(20) C(21) C(22) 116.7(3) . . . yes
C(21) C(22) C(23) 121.6(3) . . . yes
C(21) C(22) H(14) 119.2 . . . no
C(23) C(22) H(14) 119.2 . . . no
C(22) C(23) C(24) 119.3(3) . . . yes
C(22) C(23) C(26) 120.9(4) . . . yes
C(24) C(23) C(26) 119.8(4) . . . yes
C(23) C(24) C(25) 121.0(4) . . . yes
C(23) C(24) H(15) 119.5 . . . no
C(25) C(24) H(15) 119.5 . . . no
C(20) C(25) C(24) 117.5(3) . . . yes
C(20) C(25) H(16) 121.2 . . . no
C(24) C(25) H(16) 121.2 . . . no
C(23) C(26) H(30) 109.5 . . . no
C(23) C(26) H(31) 109.5 . . . no
C(23) C(26) H(32) 109.5 . . . no
H(30) C(26) H(31) 109.5 . . . no
H(30) C(26) H(32) 109.5 . . . no
H(31) C(26) H(32) 109.5 . . . no
P(2) C(27) C(28) 118.1(3) . . . yes
P(2) C(27) C(32) 122.2(3) . . . yes
C(28) C(27) C(32) 119.5(3) . . . yes
C(27) C(28) C(29) 119.1(4) . . . yes
C(27) C(28) H(17) 120.4 . . . no
C(29) C(28) H(17) 120.4 . . . no
C(28) C(29) C(30) 120.4(4) . . . yes
C(28) C(29) H(18) 119.8 . . . no
C(30) C(29) H(18) 119.8 . . . no
C(29) C(30) C(31) 120.8(4) . . . yes
C(29) C(30) H(19) 119.6 . . . no
C(31) C(30) H(19) 119.6 . . . no
C(30) C(31) C(32) 119.9(4) . . . yes
C(30) C(31) H(20) 120.1 . . . no
C(32) C(31) H(20) 120.1 . . . no
C(27) C(32) C(31) 120.2(4) . . . yes
C(27) C(32) H(21) 119.9 . . . no
C(31) C(32) H(21) 119.9 . . . no
P(2) C(33) C(34) 117.8(3) . . . yes
P(2) C(33) C(38) 123.2(3) . . . yes
C(34) C(33) C(38) 119.0(3) . . . yes
C(33) C(34) C(35) 120.6(4) . . . yes
C(33) C(34) H(22) 119.7 . . . no
C(35) C(34) H(22) 119.7 . . . no
C(34) C(35) C(36) 120.3(4) . . . yes
C(34) C(35) H(23) 119.8 . . . no
C(36) C(35) H(23) 119.8 . . . no
C(35) C(36) C(37) 119.6(4) . . . yes
C(35) C(36) H(24) 120.2 . . . no
C(37) C(36) H(24) 120.2 . . . no
C(36) C(37) C(38) 120.8(4) . . . yes
C(36) C(37) H(25) 119.6 . . . no
C(38) C(37) H(25) 119.6 . . . no
C(33) C(38) C(37) 119.6(4) . . . yes
C(33) C(38) H(26) 120.2 . . . no
C(37) C(38) H(26) 120.2 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) P(1) 2.306(1) . . yes
Pt(1) P(2) 2.3034(9) . . yes
Pt(1) C(2) 2.062(3) . . yes
Pt(1) C(21) 2.058(4) . . yes
P(1) C(1) 1.795(4) . . yes
P(1) C(8) 1.816(3) . . yes
P(1) C(14) 1.815(4) . . yes
P(2) C(20) 1.813(4) . . yes
P(2) C(27) 1.816(3) . . yes
P(2) C(33) 1.826(3) . . yes
C(1) C(2) 1.407(5) . . yes
C(1) C(6) 1.397(5) . . yes
C(2) C(3) 1.390(5) . . yes
C(3) C(4) 1.398(6) . . yes
C(3) H(1) 0.95 . . no
C(4) C(5) 1.403(6) . . yes
C(4) C(7) 1.507(6) . . yes
C(5) C(6) 1.371(6) . . yes
C(5) H(2) 0.95 . . no
C(6) H(3) 0.95 . . no
C(7) H(27) 0.95 . . no
C(7) H(28) 0.95 . . no
C(7) H(29) 0.95 . . no
C(8) C(9) 1.389(5) . . yes
C(8) C(13) 1.386(5) . . yes
C(9) C(10) 1.390(6) . . yes
C(9) H(4) 0.95 . . no
C(10) C(11) 1.371(7) . . yes
C(10) H(5) 0.95 . . no
C(11) C(12) 1.379(7) . . yes
C(11) H(6) 0.95 . . no
C(12) C(13) 1.382(6) . . yes
C(12) H(7) 0.95 . . no
C(13) H(8) 0.95 . . no
C(14) C(15) 1.391(6) . . yes
C(14) C(19) 1.380(6) . . yes
C(15) C(16) 1.405(7) . . yes
C(15) H(9) 0.95 . . no
C(16) C(17) 1.352(9) . . yes
C(16) H(10) 0.95 . . no
C(17) C(18) 1.370(8) . . yes
C(17) H(11) 0.95 . . no
C(18) C(19) 1.396(6) . . yes
C(18) H(12) 0.95 . . no
C(19) H(13) 0.95 . . no
C(20) C(21) 1.395(5) . . yes
C(20) C(25) 1.390(5) . . yes
C(21) C(22) 1.395(5) . . yes
C(22) C(23) 1.385(5) . . yes
C(22) H(14) 0.95 . . no
C(23) C(24) 1.405(6) . . yes
C(23) C(26) 1.507(5) . . yes
C(24) C(25) 1.381(5) . . yes
C(24) H(15) 0.95 . . no
C(25) H(16) 0.95 . . no
C(26) H(30) 0.95 . . no
C(26) H(31) 0.95 . . no
C(26) H(32) 0.95 . . no
C(27) C(28) 1.402(5) . . yes
C(27) C(32) 1.387(5) . . yes
C(28) C(29) 1.398(5) . . yes
C(28) H(17) 0.95 . . no
C(29) C(30) 1.364(7) . . yes
C(29) H(18) 0.95 . . no
C(30) C(31) 1.377(7) . . yes
C(30) H(19) 0.95 . . no
C(31) C(32) 1.387(5) . . yes
C(31) H(20) 0.95 . . no
C(32) H(21) 0.95 . . no
C(33) C(34) 1.388(5) . . yes
C(33) C(38) 1.392(5) . . yes
C(34) C(35) 1.378(5) . . yes
C(34) H(22) 0.95 . . no
C(35) C(36) 1.375(6) . . yes
C(35) H(23) 0.95 . . no
C(36) C(37) 1.374(6) . . yes
C(36) H(24) 0.95 . . no
C(37) C(38) 1.388(5) . . yes
C(37) H(25) 0.95 . . no
C(38) H(26) 0.95 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
C(7) C(19) 3.544(7) . 1_665 no
C(11) C(12) 3.572(7) . 2_556 no
C(21) C(30) 3.527(5) . 1_655 no
C(22) C(30) 3.568(5) . 1_655 no
C(26) C(32) 3.506(6) . 2_565 no
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
Pt(1) P(1) C(1) C(2) . . . . -3.2(2) no
Pt(1) P(1) C(1) C(6) . . . . -177.9(4) no
Pt(1) P(1) C(8) C(9) . . . . -27.3(4) no
Pt(1) P(1) C(8) C(13) . . . . 148.5(3) no
Pt(1) P(1) C(14) C(15) . . . . -39.1(4) no
Pt(1) P(1) C(14) C(19) . . . . 131.6(3) no
Pt(1) P(2) C(20) C(21) . . . . -7.4(2) no
Pt(1) P(2) C(20) C(25) . . . . 174.4(4) no
Pt(1) P(2) C(27) C(28) . . . . -46.7(3) no
Pt(1) P(2) C(27) C(32) . . . . 128.0(3) no
Pt(1) P(2) C(33) C(34) . . . . -31.8(4) no
Pt(1) P(2) C(33) C(38) . . . . 145.2(3) no
Pt(1) C(2) C(1) P(1) . . . . 3.6(2) no
Pt(1) C(2) C(1) C(6) . . . . 179.4(3) no
Pt(1) C(2) C(3) C(4) . . . . -177.4(3) no
Pt(1) C(21) C(20) P(2) . . . . 8.6(2) no
Pt(1) C(21) C(20) C(25) . . . . -172.9(3) no
Pt(1) C(21) C(22) C(23) . . . . 172.7(3) no
P(1) Pt(1) P(2) C(20) . . . . -176.4(1) no
P(1) Pt(1) P(2) C(27) . . . . 75.6(1) no
P(1) Pt(1) P(2) C(33) . . . . -62.4(1) no
P(1) Pt(1) C(2) C(1) . . . . -3.0(2) no
P(1) Pt(1) C(2) C(3) . . . . 175.0(4) no
P(1) C(1) C(2) C(3) . . . . -174.8(3) no
P(1) C(1) C(6) C(5) . . . . 172.5(3) no
P(1) C(8) C(9) C(10) . . . . 175.2(4) no
P(1) C(8) C(13) C(12) . . . . -175.3(3) no
P(1) C(14) C(15) C(16) . . . . 169.9(4) no
P(1) C(14) C(19) C(18) . . . . -169.3(4) no
P(2) Pt(1) P(1) C(1) . . . . -176.7(1) no
P(2) Pt(1) P(1) C(8) . . . . 73.8(1) no
P(2) Pt(1) P(1) C(14) . . . . -65.2(1) no
P(2) Pt(1) C(21) C(20) . . . . -7.1(2) no
P(2) Pt(1) C(21) C(22) . . . . 177.2(4) no
P(2) C(20) C(21) C(22) . . . . -174.7(2) no
P(2) C(20) C(25) C(24) . . . . 175.9(3) no
P(2) C(27) C(28) C(29) . . . . 176.9(3) no
P(2) C(27) C(32) C(31) . . . . -175.6(3) no
P(2) C(33) C(34) C(35) . . . . 177.7(3) no
P(2) C(33) C(38) C(37) . . . . -176.6(3) no
C(1) P(1) Pt(1) C(2) . . . . 2.3(1) no
C(1) P(1) C(8) C(9) . . . . -123.5(3) no
C(1) P(1) C(8) C(13) . . . . 52.3(4) no
C(1) P(1) C(14) C(15) . . . . 57.0(4) no
C(1) P(1) C(14) C(19) . . . . -132.4(3) no
C(1) C(2) Pt(1) C(21) . . . . 175.5(2) no
C(1) C(2) C(3) C(4) . . . . 0.4(5) no
C(1) C(6) C(5) C(4) . . . . 0.4(6) no
C(2) Pt(1) P(1) C(8) . . . . -107.3(2) no
C(2) Pt(1) P(1) C(14) . . . . 113.7(2) no
C(2) Pt(1) C(21) C(20) . . . . 173.7(2) no
C(2) Pt(1) C(21) C(22) . . . . -2.0(4) no
C(2) C(1) P(1) C(8) . . . . 119.6(2) no
C(2) C(1) P(1) C(14) . . . . -122.6(2) no
C(2) C(1) C(6) C(5) . . . . -1.4(6) no
C(2) C(3) C(4) C(5) . . . . -1.4(6) no
C(2) C(3) C(4) C(7) . . . . 176.7(4) no
C(3) C(2) Pt(1) C(21) . . . . -6.5(4) no
C(3) C(2) C(1) C(6) . . . . 1.0(5) no
C(3) C(4) C(5) C(6) . . . . 1.0(6) no
C(6) C(1) P(1) C(8) . . . . -55.1(4) no
C(6) C(1) P(1) C(14) . . . . 62.7(4) no
C(6) C(5) C(4) C(7) . . . . -177.1(4) no
C(8) P(1) C(14) C(15) . . . . 176.2(3) no
C(8) P(1) C(14) C(19) . . . . -13.1(4) no
C(8) C(9) C(10) C(11) . . . . 0.5(8) no
C(8) C(13) C(12) C(11) . . . . 0.2(7) no
C(9) C(8) P(1) C(14) . . . . 116.0(3) no
C(9) C(8) C(13) C(12) . . . . 0.4(6) no
C(9) C(10) C(11) C(12) . . . . 0.2(8) no
C(10) C(9) C(8) C(13) . . . . -0.8(6) no
C(10) C(11) C(12) C(13) . . . . -0.5(8) no
C(13) C(8) P(1) C(14) . . . . -68.2(4) no
C(14) C(15) C(16) C(17) . . . . 1.1(9) no
C(14) C(19) C(18) C(17) . . . . -0.8(7) no
C(15) C(14) C(19) C(18) . . . . 1.1(7) no
C(15) C(16) C(17) C(18) . . . . -1(1) no
C(16) C(15) C(14) C(19) . . . . -1.2(7) no
C(16) C(17) C(18) C(19) . . . . 0.7(9) no
C(20) P(2) Pt(1) C(21) . . . . 5.3(1) no
C(20) P(2) C(27) C(28) . . . . -140.0(3) no
C(20) P(2) C(27) C(32) . . . . 34.7(3) no
C(20) P(2) C(33) C(34) . . . . 68.0(3) no
C(20) P(2) C(33) C(38) . . . . -115.1(3) no
C(20) C(21) C(22) C(23) . . . . -2.7(5) no
C(20) C(25) C(24) C(23) . . . . -1.1(5) no
C(21) Pt(1) P(2) C(27) . . . . -102.8(2) no
C(21) Pt(1) P(2) C(33) . . . . 119.3(2) no
C(21) C(20) P(2) C(27) . . . . 109.3(2) no
C(21) C(20) P(2) C(33) . . . . -133.5(2) no
C(21) C(20) C(25) C(24) . . . . -2.0(5) no
C(21) C(22) C(23) C(24) . . . . -0.1(5) no
C(21) C(22) C(23) C(26) . . . . 179.9992 no
C(22) C(21) C(20) C(25) . . . . 3.8(5) no
C(22) C(23) C(24) C(25) . . . . 2.1(6) no
C(25) C(20) P(2) C(27) . . . . -69.0(4) no
C(25) C(20) P(2) C(33) . . . . 48.3(4) no
C(25) C(24) C(23) C(26) . . . . -178.0(4) no
C(27) P(2) C(33) C(34) . . . . -173.3(3) no
C(27) P(2) C(33) C(38) . . . . 3.6(4) no
C(27) C(28) C(29) C(30) . . . . -1.8(7) no
C(27) C(32) C(31) C(30) . . . . -0.5(6) no
C(28) C(27) P(2) C(33) . . . . 98.6(3) no
C(28) C(27) C(32) C(31) . . . . -1.0(6) no
C(28) C(29) C(30) C(31) . . . . 0.3(7) no
C(29) C(28) C(27) C(32) . . . . 2.1(6) no
C(29) C(30) C(31) C(32) . . . . 0.8(7) no
C(32) C(27) P(2) C(33) . . . . -86.7(3) no
C(33) C(34) C(35) C(36) . . . . -1.6(7) no
C(33) C(38) C(37) C(36) . . . . -0.4(7) no
C(34) C(33) C(38) C(37) . . . . 0.3(6) no
C(34) C(35) C(36) C(37) . . . . 1.5(7) no
C(35) C(34) C(33) C(38) . . . . 0.7(6) no
C(35) C(36) C(37) C(38) . . . . -0.5(7) no
