#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:43:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179303 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/00/4320012.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_4320012
loop_
_publ_author_name
'Aibing Xia'
'Paul R. Sharp'
_publ_contact_author
;
  Paul R. Sharp
  Department of Chemistry
  University of Missouri
  Columbia, MO  65211
;
_publ_contact_author_email       SharpP@missouri.edu
_publ_contact_author_fax         573-882-2754
_publ_contact_author_phone       573-882-7715
_publ_section_title
;
 Platinum(II) Hydrazido Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4016
_journal_page_last               4021
_journal_paper_doi               10.1021/ic001432d
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         '[(dppp)Pt(NHNHPh)]2(BF4)2.2CH2Cl2.2BuOMe.H2O'
_chemical_formula_sum            'C77 H91 B2 Cl2 F8 N4 O3 P4 Pt2'
_chemical_formula_weight         1879.12
_chemical_melting_point          185
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 118.5050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.5077(12)
_cell_length_b                   15.2031(6)
_cell_length_c                   19.0487(8)
_cell_measurement_temperature    173(2)
_cell_volume                     7764.0(5)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics
;
  ORTEP (Johnson, 1976), ORTEP 3 for Windows
  L. J. Farrugia, 1997'
;
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement
;
  SHELXL-97 (Sheldrick, 1997), L. J. Barbour, X-Seed - Graphical Interface to
  SHELX-97 and POV-Ray, 1999
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0623
_diffrn_reflns_av_sigmaI/netI    0.0818
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24633
_diffrn_reflns_theta_full        27.12
_diffrn_reflns_theta_max         27.12
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    3.820
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rect block'
_exptl_crystal_F_000             3748
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.808
_refine_diff_density_min         -0.880
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         8893
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0869
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0580P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1025
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                6077
_reflns_number_total             8893
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001432d_5.cif
_cod_data_source_block           '[(dppp)Pt(NHNHPh)]2(BF4)2(4)'
_cod_database_code               4320012
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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 0.330186(13) 0.5000 0.227458(19) 0.02590(10) Uani 1 2 d S . .
Pt2 Pt 0.293925(13) 0.5000 0.35254(2) 0.02919(11) Uani 1 2 d S . .
P1 P 0.31883(6) 0.39143(11) 0.13834(10) 0.0287(4) Uani 1 1 d . . .
P2 P 0.25854(7) 0.39237(12) 0.39032(10) 0.0335(4) Uani 1 1 d . . .
N1 N 0.3351(2) 0.4152(4) 0.3187(3) 0.0297(12) Uani 1 1 d . . .
C1A C 0.2920(3) 0.2912(4) 0.1548(4) 0.0335(15) Uani 1 1 d . . .
C4A C 0.2458(3) 0.1401(5) 0.1718(4) 0.053(2) Uani 1 1 d . . .
H4A H 0.2303 0.0896 0.1768 0.063 Uiso 1 1 calc R . .
C1D C 0.1970(3) 0.3588(4) 0.3163(4) 0.0397(16) Uani 1 1 d . . .
C1 C 0.4180(3) 0.3465(5) 0.3776(4) 0.0409(17) Uani 1 1 d . . .
N2 N 0.3843(2) 0.4035(4) 0.3873(3) 0.0423(15) Uani 1 1 d . . .
H1N2 H 0.3926 0.4298 0.4319 0.051 Uiso 1 1 calc R . .
C6D C 0.1773(3) 0.3878(5) 0.2380(4) 0.0452(18) Uani 1 1 d . . .
H6D H 0.1959 0.4248 0.2235 0.054 Uiso 1 1 calc R . .
C5A C 0.2921(4) 0.1364(5) 0.1810(5) 0.061(2) Uani 1 1 d . . .
H5A H 0.3088 0.0827 0.1928 0.074 Uiso 1 1 calc R . .
C5D C 0.1291(3) 0.3615(5) 0.1803(5) 0.061(2) Uani 1 1 d . . .
H5D H 0.1155 0.3827 0.1283 0.073 Uiso 1 1 calc R . .
C3A C 0.2214(3) 0.2205(5) 0.1547(4) 0.0488(19) Uani 1 1 d . . .
H3A H 0.1894 0.2237 0.1485 0.059 Uiso 1 1 calc R . .
C2A C 0.2439(3) 0.2957(5) 0.1467(4) 0.0473(19) Uani 1 1 d . . .
H2A H 0.2271 0.3492 0.1359 0.057 Uiso 1 1 calc R . .
C2D C 0.1695(3) 0.3003(6) 0.3360(5) 0.065(2) Uani 1 1 d . . .
H2D H 0.1826 0.2797 0.3881 0.078 Uiso 1 1 calc R . .
C6A C 0.3158(3) 0.2111(5) 0.1733(5) 0.051(2) Uani 1 1 d . . .
H6A H 0.3482 0.2068 0.1807 0.061 Uiso 1 1 calc R . .
C4D C 0.1027(3) 0.3053(6) 0.2007(6) 0.074(3) Uani 1 1 d . . .
H4D H 0.0709 0.2883 0.1625 0.089 Uiso 1 1 calc R . .
C3D C 0.1224(3) 0.2724(7) 0.2782(7) 0.082(3) Uani 1 1 d . . .
H3D H 0.1044 0.2324 0.2913 0.098 Uiso 1 1 calc R . .
C1P C 0.2732(2) 0.4162(4) 0.0347(3) 0.0326(15) Uani 1 1 d . . .
H1P1 H 0.2721 0.3674 0.0012 0.039 Uiso 1 1 calc R . .
H1P2 H 0.2404 0.4213 0.0310 0.039 Uiso 1 1 calc R . .
C2P C 0.2840(4) 0.5000 0.0023(5) 0.038(2) Uani 1 2 d S . .
H2P1 H 0.2641 0.5000 -0.0555 0.046 Uiso 1 2 calc SR . .
H2P2 H 0.3188 0.5000 0.0151 0.046 Uiso 1 2 calc SR . .
C1B C 0.3737(2) 0.3564(4) 0.1318(4) 0.0341(15) Uani 1 1 d . . .
C1C C 0.2956(2) 0.2918(4) 0.4183(4) 0.0322(15) Uani 1 1 d . . .
C6C C 0.2804(3) 0.2167(5) 0.3727(4) 0.0419(17) Uani 1 1 d . . .
H6C H 0.2502 0.2160 0.3257 0.050 Uiso 1 1 calc R . .
C2B C 0.3698(3) 0.2965(5) 0.0746(5) 0.052(2) Uani 1 1 d . . .
H2B H 0.3388 0.2728 0.0398 0.062 Uiso 1 1 calc R . .
C5C C 0.3102(4) 0.1420(5) 0.3967(6) 0.058(2) Uani 1 1 d . . .
H5C H 0.3004 0.0918 0.3650 0.069 Uiso 1 1 calc R . .
C3P C 0.2526(3) 0.4156(5) 0.4790(5) 0.050(2) Uani 1 1 d . . .
H3P1 H 0.2361 0.3664 0.4889 0.060 Uiso 1 1 calc R . .
H3P2 H 0.2857 0.4207 0.5245 0.060 Uiso 1 1 calc R . .
C2C C 0.3413(3) 0.2915(6) 0.4883(5) 0.056(2) Uani 1 1 d . . .
H2C H 0.3527 0.3426 0.5186 0.067 Uiso 1 1 calc R . .
C6 C 0.4072(3) 0.2620(5) 0.3558(6) 0.065(2) Uani 1 1 d . . .
H6 H 0.3766 0.2385 0.3455 0.078 Uiso 1 1 calc R . .
C4P C 0.2232(5) 0.5000 0.4727(8) 0.063(4) Uani 1 2 d S . .
H4P1 H 0.1927 0.5000 0.4220 0.076 Uiso 1 2 calc SR . .
H4P2 H 0.2140 0.5000 0.5148 0.076 Uiso 1 2 calc SR . .
C3B C 0.4116(3) 0.2712(6) 0.0684(5) 0.061(2) Uani 1 1 d . . .
H3B H 0.4084 0.2297 0.0304 0.073 Uiso 1 1 calc R . .
C5 C 0.4420(4) 0.2107(6) 0.3489(6) 0.080(3) Uani 1 1 d . . .
H5 H 0.4332 0.1530 0.3317 0.096 Uiso 1 1 calc R . .
C4C C 0.3541(4) 0.1426(6) 0.4672(6) 0.067(3) Uani 1 1 d . . .
H4C H 0.3734 0.0918 0.4839 0.081 Uiso 1 1 calc R . .
C6B C 0.4194(3) 0.3867(6) 0.1824(6) 0.081(3) Uani 1 1 d . . .
H6B H 0.4232 0.4250 0.2230 0.097 Uiso 1 1 calc R . .
C3C C 0.3698(3) 0.2157(7) 0.5129(6) 0.074(3) Uani 1 1 d . . .
H3C H 0.3996 0.2151 0.5606 0.089 Uiso 1 1 calc R . .
C4 C 0.4862(4) 0.2365(8) 0.3645(7) 0.092(4) Uani 1 1 d . . .
H4 H 0.5088 0.1989 0.3599 0.111 Uiso 1 1 calc R . .
C4B C 0.4565(4) 0.3062(6) 0.1168(7) 0.084(3) Uani 1 1 d . . .
H4B H 0.4841 0.2925 0.1104 0.101 Uiso 1 1 calc R . .
C5B C 0.4608(4) 0.3626(8) 0.1758(9) 0.132(6) Uani 1 1 d . . .
H5B H 0.4919 0.3848 0.2118 0.158 Uiso 1 1 calc R . .
C2 C 0.4640(4) 0.3751(8) 0.3960(11) 0.173(8) Uani 1 1 d . . .
H2 H 0.4735 0.4322 0.4145 0.208 Uiso 1 1 calc R . .
C3 C 0.4974(4) 0.3191(10) 0.3873(13) 0.221(11) Uani 1 1 d . . .
H3 H 0.5285 0.3407 0.3979 0.266 Uiso 1 1 calc R . .
F5 F 0.1889(2) 0.5000 0.0969(4) 0.0581(17) Uani 1 2 d S . .
F7 F 0.1053(3) 0.5000 0.0164(7) 0.212(8) Uani 1 2 d S . .
B2 B 0.1482(5) 0.5000 0.0203(9) 0.054(3) Uani 1 2 d S . .
F3 F 0.4081(4) 0.4214(6) 0.6579(6) 0.176(4) Uani 1 1 d . . .
F6 F 0.1495(3) 0.4337(6) -0.0179(5) 0.245(6) Uani 1 1 d . . .
F2 F 0.4143(6) 0.5000 0.5625(8) 0.187(6) Uani 1 2 d S . .
F1 F 0.3590(6) 0.5000 0.5835(13) 0.132(9) Uani 0.50 2 d SP . .
O1 O 0.1569(4) 0.0000 0.1785(7) 0.101(3) Uani 1 2 d S . .
C2S C 0.1042(6) 0.0000 0.1206(10) 0.077(4) Uani 1 2 d S . .
C4S C 0.1043(6) 0.0000 0.0420(11) 0.095(5) Uani 1 2 d S . .
H4S1 H 0.0715 0.0000 -0.0010 0.120 Uiso 1 2 d S . .
H4S2 H 0.1216 0.0511 0.0382 0.120 Uiso 1 1 d . . .
B1 B 0.4091(8) 0.5000 0.6238(9) 0.079(5) Uani 1 2 d S . .
C3S C 0.0778(5) 0.0784(8) 0.1287(8) 0.146(6) Uani 1 1 d . . .
H3S1 H 0.0802 0.0787 0.1808 0.218 Uiso 1 1 calc R . .
H3S2 H 0.0433 0.0762 0.0887 0.218 Uiso 1 1 calc R . .
H3S3 H 0.0928 0.1309 0.1217 0.218 Uiso 1 1 calc R . .
F4 F 0.4576(8) 0.5000 0.6729(14) 0.158(11) Uani 0.50 2 d SP . .
C6S C 0.4989(13) 0.0000 0.2431(11) 0.179(13) Uani 1 2 d S . .
C1S C 0.1714(9) 0.0000 0.2645(12) 0.152(9) Uani 1 2 d S . .
H1S1 H 0.1415 0.0000 0.2703 0.220 Uiso 1 2 d S . .
H1S2 H 0.1903 0.0515 0.2893 0.220 Uiso 1 1 d . . .
Cl1 Cl 0.0000 0.3582(2) 0.0000 0.0698(9) Uani 1 2 d S . .
C11S C 0.0054(7) 0.5000 0.0312(11) 0.072(8) Uani 0.50 2 d SP . .
C5S C 0.4158(8) 0.0000 0.2203(13) 0.143(11) Uani 1 2 d S . .
H5S1 H 0.3960 0.0000 0.2464 0.150 Uiso 1 2 d S . .
H5S2 H 0.4087 0.0510 0.1879 0.150 Uiso 1 1 d . . .
O2 O 0.4688(18) 0.0000 0.2799(17) 0.40(3) Uani 1 2 d S . .
C7S C 0.4921(7) 0.0830(8) 0.2033(8) 0.164(7) Uani 1 1 d . . .
H7S1 H 0.4571 0.0946 0.1713 0.245 Uiso 1 1 calc R . .
H7S2 H 0.5075 0.0811 0.1696 0.245 Uiso 1 1 calc R . .
H7S3 H 0.5071 0.1287 0.2423 0.245 Uiso 1 1 calc R . .
C8S C 0.5556(6) 0.0000 0.3279(11) 0.111(6) Uani 1 2 d S . .
H8S1 H 0.5805 0.0000 0.3124 0.130 Uiso 1 2 d S . .
H8S2 H 0.5599 0.0490 0.3578 0.130 Uiso 1 1 d . . .
H1N1 H 0.3238(18) 0.365(4) 0.305(3) 0.006(14) Uiso 1 1 d . . .
Cl2 Cl 0.4280(5) 0.0000 0.4268(8) 0.313(7) Uani 1 2 d S . .
O3 O 0.5273(17) 0.0000 0.423(3) 0.55(3) Uiso 1 2 d S . .
C12S C 0.5000 0.054(3) 0.5000 0.172(19) Uiso 0.50 2 d SP . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
B B 0.0013 0.0007 '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
N1 Pt1 N1 75.3(3) 6_565 . ?
N1 Pt1 P1 169.78(15) 6_565 . ?
N1 Pt1 P1 95.57(15) . . ?
N1 Pt1 P1 95.57(15) 6_565 6_565 ?
N1 Pt1 P1 169.78(15) . 6_565 ?
P1 Pt1 P1 93.15(8) . 6_565 ?
N1 Pt1 Pt2 43.20(15) 6_565 . ?
N1 Pt1 Pt2 43.20(15) . . ?
P1 Pt1 Pt2 126.66(4) . . ?
P1 Pt1 Pt2 126.66(4) 6_565 . ?
N1 Pt2 N1 75.5(3) 6_565 . ?
N1 Pt2 P2 95.75(16) 6_565 6_565 ?
N1 Pt2 P2 170.84(16) . 6_565 ?
N1 Pt2 P2 170.84(16) 6_565 . ?
N1 Pt2 P2 95.75(16) . . ?
P2 Pt2 P2 92.84(9) 6_565 . ?
N1 Pt2 Pt1 43.34(14) 6_565 . ?
N1 Pt2 Pt1 43.34(14) . . ?
P2 Pt2 Pt1 130.66(4) 6_565 . ?
P2 Pt2 Pt1 130.66(4) . . ?
C1B P1 C1A 105.7(3) . . ?
C1B P1 C1P 103.8(3) . . ?
C1A P1 C1P 100.6(3) . . ?
C1B P1 Pt1 116.6(2) . . ?
C1A P1 Pt1 113.5(2) . . ?
C1P P1 Pt1 115.0(2) . . ?
C1D P2 C3P 104.7(4) . . ?
C1D P2 C1C 105.1(3) . . ?
C3P P2 C1C 102.4(3) . . ?
C1D P2 Pt2 115.7(2) . . ?
C3P P2 Pt2 115.5(2) . . ?
C1C P2 Pt2 112.1(2) . . ?
N2 N1 Pt2 108.0(4) . . ?
N2 N1 Pt1 116.9(4) . . ?
Pt2 N1 Pt1 93.5(2) . . ?
C6A C1A C2A 118.0(7) . . ?
C6A C1A P1 123.8(6) . . ?
C2A C1A P1 118.2(5) . . ?
C5A C4A C3A 118.8(7) . . ?
C2D C1D C6D 119.0(7) . . ?
C2D C1D P2 120.5(6) . . ?
C6D C1D P2 120.4(5) . . ?
C6 C1 C2 117.4(8) . . ?
C6 C1 N2 122.5(7) . . ?
C2 C1 N2 119.9(8) . . ?
C1 N2 N1 117.2(5) . . ?
C1D C6D C5D 120.2(7) . . ?
C4A C5A C6A 121.4(8) . . ?
C4D C5D C6D 119.9(8) . . ?
C2A C3A C4A 121.3(8) . . ?
C3A C2A C1A 119.8(7) . . ?
C1D C2D C3D 120.6(8) . . ?
C1A C6A C5A 120.8(8) . . ?
C5D C4D C3D 121.1(9) . . ?
C2D C3D C4D 119.1(8) . . ?
C2P C1P P1 114.2(5) . . ?
C1P C2P C1P 114.0(7) . 6_565 ?
C6B C1B C2B 117.6(7) . . ?
C6B C1B P1 121.6(6) . . ?
C2B C1B P1 120.8(5) . . ?
C6C C1C C2C 119.0(7) . . ?
C6C C1C P2 122.4(5) . . ?
C2C C1C P2 118.6(5) . . ?
C1C C6C C5C 120.0(7) . . ?
C1B C2B C3B 120.8(8) . . ?
C4C C5C C6C 119.8(8) . . ?
C4P C3P P2 113.7(6) . . ?
C3C C2C C1C 120.3(8) . . ?
C1 C6 C5 119.2(9) . . ?
C3P C4P C3P 113.2(10) 6_565 . ?
C4B C3B C2B 120.6(8) . . ?
C4 C5 C6 125.0(10) . . ?
C3C C4C C5C 121.1(8) . . ?
C1B C6B C5B 121.7(9) . . ?
C4C C3C C2C 119.7(9) . . ?
C5 C4 C3 116.2(10) . . ?
C3B C4B C5B 118.5(8) . . ?
C6B C5B C4B 120.7(9) . . ?
C1 C2 C3 120.1(10) . . ?
C4 C3 C2 122.0(11) . . ?
F6 B2 F6 107.0(17) 6_565 . ?
F6 B2 F7 106.3(9) 6_565 . ?
F6 B2 F7 106.3(9) . . ?
F6 B2 F5 110.4(8) 6_565 . ?
F6 B2 F5 110.4(8) . . ?
F7 B2 F5 115.9(13) . . ?
C2S O1 C1S 118.7(13) . . ?
O1 C2S C3S 112.3(10) . . ?
O1 C2S C3S 112.3(10) . 6 ?
C3S C2S C3S 106.5(14) . 6 ?
O1 C2S C4S 103.4(12) . . ?
C3S C2S C4S 111.3(10) . . ?
C3S C2S C4S 111.3(10) 6 . ?
F2 B1 F4 94(2) . . ?
F2 B1 F1 94.7(16) . . ?
F4 B1 F1 172(2) . . ?
F2 B1 F3 119.1(8) . 6_565 ?
F4 B1 F3 86.3(11) . 6_565 ?
F1 B1 F3 89.6(13) . 6_565 ?
F2 B1 F3 119.1(8) . . ?
F4 B1 F3 86.3(11) . . ?
F1 B1 F3 89.6(13) . . ?
F3 B1 F3 121.7(15) 6_565 . ?
O2 C6S C7S 107.5(19) . 6 ?
O2 C6S C7S 107.5(19) . . ?
C7S C6S C7S 123.1(16) 6 . ?
O2 C6S C8S 98(2) . . ?
C7S C6S C8S 109.0(17) 6 . ?
C7S C6S C8S 109.0(17) . . ?
C11S Cl1 C11S 27.9(9) . 5_565 ?
C11S C11S Cl1 76.1(4) 5_565 . ?
C11S C11S Cl1 76.1(4) 5_565 5_565 ?
Cl1 C11S Cl1 152.1(9) . 5_565 ?
C6S O2 C5S 111(2) . . ?
C12S Cl2 C12S 45(3) . 5_656 ?
C12S C12S Cl2 67.5(13) 5_656 . ?
C12S C12S Cl2 67.5(13) 5_656 5_656 ?
Cl2 C12S Cl2 135(3) . 5_656 ?
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 N1 2.110(5) 6_565 ?
Pt1 N1 2.110(5) . ?
Pt1 P1 2.2727(16) . ?
Pt1 P1 2.2727(16) 6_565 ?
Pt1 Pt2 3.0686(5) . ?
Pt2 N1 2.105(5) 6_565 ?
Pt2 N1 2.105(5) . ?
Pt2 P2 2.2588(17) 6_565 ?
Pt2 P2 2.2588(17) . ?
P1 C1B 1.817(7) . ?
P1 C1A 1.826(7) . ?
P1 C1P 1.832(6) . ?
P2 C1D 1.802(7) . ?
P2 C3P 1.817(7) . ?
P2 C1C 1.825(7) . ?
N1 N2 1.456(7) . ?
C1A C6A 1.376(9) . ?
C1A C2A 1.402(9) . ?
C4A C5A 1.339(11) . ?
C4A C3A 1.386(10) . ?
C1D C2D 1.391(10) . ?
C1D C6D 1.388(9) . ?
C1 C6 1.343(10) . ?
C1 C2 1.346(12) . ?
C1 N2 1.422(8) . ?
C6D C5D 1.410(10) . ?
C5A C6A 1.392(10) . ?
C5D C4D 1.353(12) . ?
C3A C2A 1.378(9) . ?
C2D C3D 1.395(12) . ?
C4D C3D 1.394(13) . ?
C1P C2P 1.518(8) . ?
C2P C1P 1.518(8) 6_565 ?
C1B C6B 1.342(10) . ?
C1B C2B 1.381(9) . ?
C1C C6C 1.373(9) . ?
C1C C2C 1.395(9) . ?
C6C C5C 1.388(10) . ?
C2B C3B 1.390(10) . ?
C5C C4C 1.373(12) . ?
C3P C4P 1.536(10) . ?
C2C C3C 1.384(11) . ?
C6 C5 1.373(11) . ?
C4P C3P 1.536(10) 6_565 ?
C3B C4B 1.345(12) . ?
C5 C4 1.295(12) . ?
C4C C3C 1.350(13) . ?
C6B C5B 1.378(12) . ?
C4 C3 1.320(15) . ?
C4B C5B 1.369(13) . ?
C2 C3 1.398(15) . ?
F5 B2 1.394(15) . ?
F7 B2 1.274(15) . ?
B2 F6 1.254(11) 6_565 ?
B2 F6 1.254(11) . ?
F3 B1 1.368(11) . ?
F2 B1 1.250(18) . ?
F1 B1 1.34(2) . ?
O1 C2S 1.452(17) . ?
O1 C1S 1.48(2) . ?
C2S C3S 1.488(13) . ?
C2S C3S 1.488(13) 6 ?
C2S C4S 1.50(2) . ?
B1 F4 1.32(3) . ?
B1 F3 1.368(11) 6_565 ?
C6S O2 1.40(4) . ?
C6S C7S 1.435(13) 6 ?
C6S C7S 1.435(13) . ?
C6S C8S 1.71(3) . ?
Cl1 C11S 2.221(5) . ?
Cl1 C11S 2.221(5) 5_565 ?
C11S C11S 1.07(4) 5_565 ?
C11S Cl1 2.221(5) 5_565 ?
C5S O2 1.47(5) . ?
Cl2 C12S 2.12(2) . ?
Cl2 C12S 2.12(2) 5_656 ?
C12S C12S 1.63(10) 5_656 ?
C12S Cl2 2.12(2) 5_656 ?
