#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/00/4320011.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_4320011
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)2Pt2(OH)(NHNHPh)(OTf)2.C2H4Cl2
_chemical_formula_sum            'C63 H60 Cl2.5 F6 N2 O7 P4 Pt2 S2'
_chemical_formula_weight         1737.94
_chemical_melting_point          184
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 112.944(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.990(2)
_cell_length_b                   13.0979(12)
_cell_length_c                   25.773(2)
_cell_measurement_temperature    173(2)
_cell_volume                     6525.1(10)
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0559
_diffrn_reflns_av_sigmaI/netI    0.0767
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            40064
_diffrn_reflns_theta_full        27.17
_diffrn_reflns_theta_max         27.17
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    4.618
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'RECT BLOCK'
_exptl_crystal_F_000             3410
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.3
_refine_diff_density_max         2.764
_refine_diff_density_min         -1.539
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     774
_refine_ls_number_reflns         14409
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0735P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1310
_reflns_number_gt                9571
_reflns_number_total             14409
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001432d_4.cif
_cod_data_source_block           (dppp)2Pt2(OH)(NHNHPh)(OTf)2(3)
_cod_original_cell_volume        6525.1(11)
_cod_original_formula_sum        'C63 H60 Cl2.50 F6 N2 O7 P4 Pt2 S2'
_cod_database_code               4320011
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Pt2 Pt 0.502824(15) 0.14036(2) 0.192939(12) 0.02940(9) Uani 1 1 d . . .
Cl1 Cl 0.4915(5) 0.5835(8) 0.4696(4) 0.141(3) Uiso 0.50 1 d P . .
S1 S 0.62523(13) 0.20792(18) 0.07380(10) 0.0517(6) Uani 1 1 d D . .
P3 P 0.41085(10) 0.22466(15) 0.13274(8) 0.0335(4) Uani 1 1 d . . .
F1 F 0.5898(4) 0.3092(5) -0.0218(3) 0.091(2) Uani 1 1 d . . .
O1 O 0.5407(2) 0.2623(4) 0.25037(19) 0.0332(12) Uani 1 1 d . . .
H1O H 0.5400 0.3344 0.2460 0.040 Uiso 1 1 calc R . .
N1 N 0.5941(3) 0.0826(5) 0.2557(2) 0.0331(14) Uani 1 1 d . . .
H1N H 0.5941 0.0121 0.2602 0.040 Uiso 1 1 calc R . .
C1 C 0.7112(4) 0.0561(7) 0.2511(4) 0.044(2) Uani 1 1 d . . .
Pt1 Pt 0.580533(16) 0.16578(2) 0.320451(12) 0.03288(9) Uani 1 1 d . . .
Cl2 Cl 0.6222(3) 0.6506(4) 0.5616(2) 0.0603(13) Uani 0.50 1 d P . .
S2 S 0.6397(3) -0.0576(4) 0.6313(2) 0.0558(13) Uiso 0.50 1 d PD A 1
P4 P 0.47693(10) 0.00461(15) 0.13680(8) 0.0336(4) Uani 1 1 d . . .
F2 F 0.5560(5) 0.3766(5) 0.0380(4) 0.132(4) Uani 1 1 d . . .
O2 O 0.6904(4) 0.2581(7) 0.0895(4) 0.095(3) Uani 1 1 d D B .
N2 N 0.6536(4) 0.1215(6) 0.2430(3) 0.056(2) Uani 1 1 d . . .
H2N H 0.6530 0.1842 0.2307 0.067 Uiso 1 1 calc R . .
C2 C 0.7245(5) -0.0270(7) 0.2865(4) 0.057(2) Uani 1 1 d . . .
H2 H 0.6945 -0.0429 0.3050 0.068 Uiso 1 1 calc R . .
P1 P 0.55795(11) 0.27741(16) 0.37742(9) 0.0367(5) Uani 1 1 d . . .
F3 F 0.5039(4) 0.2450(6) -0.0066(3) 0.100(2) Uani 1 1 d . . .
O3 O 0.5953(4) 0.2070(5) 0.1160(3) 0.0626(18) Uani 1 1 d D B .
C3 C 0.7831(6) -0.0884(9) 0.2950(5) 0.074(3) Uani 1 1 d . . .
H3 H 0.7915 -0.1463 0.3190 0.089 Uiso 1 1 calc R . .
P2 P 0.62285(12) 0.05077(16) 0.38844(9) 0.0409(5) Uani 1 1 d . . .
F4 F 0.6974(6) 0.0521(9) 0.5965(5) 0.178(4) Uiso 1 1 d . . .
O4 O 0.6187(3) 0.1121(5) 0.0442(3) 0.0614(18) Uani 1 1 d D B .
C4 C 0.8280(6) -0.0670(9) 0.2698(4) 0.071(3) Uani 1 1 d . . .
H4 H 0.8669 -0.1095 0.2757 0.086 Uiso 1 1 calc R . .
F5 F 0.7029(5) 0.0927(8) 0.6892(4) 0.145(3) Uiso 1 1 d . . .
O5 O 0.7045(4) -0.1045(7) 0.6518(3) 0.096(3) Uiso 1 1 d D . .
C5 C 0.8155(6) 0.0174(8) 0.2358(4) 0.066(3) Uani 1 1 d . . .
H5 H 0.8470 0.0356 0.2190 0.079 Uiso 1 1 calc R . .
F6 F 0.5969(4) 0.1276(6) 0.6178(3) 0.101(2) Uiso 1 1 d . . .
O6 O 0.5987(4) -0.0514(7) 0.6689(3) 0.105(3) Uiso 1 1 d D . .
C6 C 0.7529(5) 0.0804(8) 0.2253(4) 0.056(2) Uani 1 1 d . . .
H6 H 0.7428 0.1372 0.2005 0.068 Uiso 1 1 calc R . .
O7 O 0.5972(5) -0.0671(8) 0.5720(3) 0.123(3) Uiso 1 1 d D . .
Cl1' Cl 0.4933(3) 0.6575(3) 0.43746(18) 0.0923(14) Uani 0.75 1 d P . .
Cl2' Cl 0.6266(4) 0.7424(7) 0.5081(3) 0.198(4) Uani 0.75 1 d P . .
C1A C 0.4231(4) 0.3625(6) 0.1431(3) 0.0391(19) Uani 1 1 d . . .
C2A C 0.3743(5) 0.4231(6) 0.1520(4) 0.049(2) Uani 1 1 d . . .
H2A H 0.3345 0.3939 0.1552 0.059 Uiso 1 1 calc R . .
C3A C 0.3856(7) 0.5302(8) 0.1563(5) 0.075(3) Uani 1 1 d . . .
H3A H 0.3524 0.5734 0.1617 0.090 Uiso 1 1 calc R . .
C4A C 0.4432(6) 0.5719(7) 0.1528(4) 0.064(3) Uani 1 1 d . . .
H4A H 0.4506 0.6435 0.1571 0.077 Uiso 1 1 calc R . .
C5A C 0.4905(5) 0.5106(7) 0.1430(4) 0.060(3) Uani 1 1 d . . .
H5A H 0.5296 0.5404 0.1390 0.071 Uiso 1 1 calc R . .
C6A C 0.4815(4) 0.4043(6) 0.1390(4) 0.048(2) Uani 1 1 d . . .
H6A H 0.5150 0.3617 0.1334 0.057 Uiso 1 1 calc R . .
C1B C 0.3300(4) 0.1949(6) 0.1390(4) 0.0395(19) Uani 1 1 d . . .
C2B C 0.2668(5) 0.2046(10) 0.0954(4) 0.075(4) Uani 1 1 d . . .
H2B H 0.2641 0.2249 0.0592 0.090 Uiso 1 1 calc R . .
C3B C 0.2071(6) 0.1849(13) 0.1040(5) 0.102(5) Uani 1 1 d . . .
H3B H 0.1636 0.1951 0.0738 0.122 Uiso 1 1 calc R . .
C4B C 0.2086(5) 0.1525(10) 0.1526(5) 0.086(4) Uani 1 1 d . . .
H4B H 0.1668 0.1365 0.1569 0.103 Uiso 1 1 calc R . .
C5B C 0.2715(5) 0.1416(9) 0.1975(5) 0.077(4) Uani 1 1 d . . .
H5B H 0.2734 0.1198 0.2332 0.092 Uiso 1 1 calc R . .
C6B C 0.3319(5) 0.1631(8) 0.1897(4) 0.060(3) Uani 1 1 d . . .
H6B H 0.3753 0.1554 0.2203 0.072 Uiso 1 1 calc R . .
C1C C 0.4051(4) -0.0712(6) 0.1386(4) 0.0384(19) Uani 1 1 d . . .
C2C C 0.3895(5) -0.0699(7) 0.1854(4) 0.056(2) Uani 1 1 d . . .
H2C H 0.4152 -0.0268 0.2161 0.068 Uiso 1 1 calc R . .
C3C C 0.3373(6) -0.1300(9) 0.1889(6) 0.081(4) Uani 1 1 d . . .
H3C H 0.3259 -0.1274 0.2211 0.097 Uiso 1 1 calc R . .
C4C C 0.3015(6) -0.1951(9) 0.1435(7) 0.093(5) Uani 1 1 d . . .
H4C H 0.2656 -0.2377 0.1451 0.111 Uiso 1 1 calc R . .
C5C C 0.3178(5) -0.1974(7) 0.0974(5) 0.065(3) Uani 1 1 d . . .
H5C H 0.2932 -0.2416 0.0670 0.078 Uiso 1 1 calc R . .
C6C C 0.3695(5) -0.1367(6) 0.0944(4) 0.051(2) Uani 1 1 d . . .
H6C H 0.3808 -0.1395 0.0622 0.061 Uiso 1 1 calc R . .
C1D C 0.5475(4) -0.0849(5) 0.1525(3) 0.0350(18) Uani 1 1 d . . .
C2D C 0.5515(5) -0.1700(7) 0.1872(4) 0.052(2) Uani 1 1 d . . .
H2D H 0.5169 -0.1803 0.2019 0.062 Uiso 1 1 calc R . .
C3D C 0.6052(5) -0.2380(7) 0.1999(4) 0.057(3) Uani 1 1 d . . .
H3D H 0.6073 -0.2952 0.2231 0.068 Uiso 1 1 calc R . .
C4D C 0.6554(5) -0.2245(7) 0.1797(4) 0.053(2) Uani 1 1 d . . .
H4D H 0.6931 -0.2710 0.1895 0.064 Uiso 1 1 calc R . .
C5D C 0.6515(5) -0.1435(7) 0.1450(5) 0.065(3) Uani 1 1 d . . .
H5D H 0.6855 -0.1356 0.1295 0.078 Uiso 1 1 calc R . .
C6D C 0.5975(5) -0.0717(7) 0.1323(4) 0.051(2) Uani 1 1 d . . .
H6D H 0.5963 -0.0140 0.1096 0.061 Uiso 1 1 calc R . .
C1E C 0.4824(4) 0.3553(7) 0.3381(3) 0.042(2) Uani 1 1 d . . .
C2E C 0.4875(5) 0.4573(7) 0.3303(4) 0.065(3) Uani 1 1 d . . .
H2E H 0.5316 0.4893 0.3439 0.078 Uiso 1 1 calc R . .
C3E C 0.4282(6) 0.5147(9) 0.3026(6) 0.097(5) Uani 1 1 d . . .
H3E H 0.4318 0.5864 0.2988 0.116 Uiso 1 1 calc R . .
C4E C 0.3649(6) 0.4690(10) 0.2806(5) 0.080(4) Uani 1 1 d . . .
H4E H 0.3245 0.5078 0.2605 0.096 Uiso 1 1 calc R . .
C5E C 0.3607(5) 0.3680(10) 0.2879(5) 0.072(3) Uani 1 1 d . . .
H5E H 0.3166 0.3359 0.2729 0.086 Uiso 1 1 calc R . .
C6E C 0.4178(5) 0.3101(9) 0.3163(4) 0.065(3) Uani 1 1 d . . .
H6E H 0.4132 0.2389 0.3210 0.078 Uiso 1 1 calc R . .
C1F C 0.6281(4) 0.3679(6) 0.4099(3) 0.0389(19) Uani 1 1 d . . .
C2F C 0.6703(5) 0.3955(7) 0.3829(4) 0.054(2) Uani 1 1 d . . .
H2F H 0.6652 0.3631 0.3485 0.065 Uiso 1 1 calc R . .
C3F C 0.7207(5) 0.4710(8) 0.4056(5) 0.064(3) Uani 1 1 d . . .
H3F H 0.7498 0.4905 0.3868 0.076 Uiso 1 1 calc R . .
C4F C 0.7274(5) 0.5162(7) 0.4554(4) 0.052(2) Uani 1 1 d . . .
H4F H 0.7614 0.5678 0.4711 0.062 Uiso 1 1 calc R . .
C5F C 0.6878(6) 0.4896(9) 0.4820(5) 0.073(3) Uani 1 1 d . . .
H5F H 0.6941 0.5216 0.5167 0.088 Uiso 1 1 calc R . .
C6F C 0.6365(5) 0.4154(9) 0.4603(4) 0.067(3) Uani 1 1 d . . .
H6F H 0.6078 0.3976 0.4797 0.081 Uiso 1 1 calc R . .
C1G C 0.7162(4) 0.0607(6) 0.4270(3) 0.042(2) Uani 1 1 d . . .
C2G C 0.7499(6) 0.0121(7) 0.4782(4) 0.061(3) Uani 1 1 d . . .
H2G H 0.7235 -0.0236 0.4950 0.074 Uiso 1 1 calc R . .
C3G C 0.8192(6) 0.0142(8) 0.5046(4) 0.064(3) Uani 1 1 d . . .
H3G H 0.8412 -0.0198 0.5397 0.077 Uiso 1 1 calc R . .
C4G C 0.8579(6) 0.0650(8) 0.4810(5) 0.071(3) Uani 1 1 d . . .
H4G H 0.9069 0.0653 0.4993 0.085 Uiso 1 1 calc R . .
C5G C 0.8262(5) 0.1159(8) 0.4306(4) 0.062(3) Uani 1 1 d . . .
H5G H 0.8532 0.1511 0.4141 0.074 Uiso 1 1 calc R . .
C6G C 0.7544(5) 0.1155(7) 0.4040(4) 0.048(2) Uani 1 1 d . . .
H6G H 0.7320 0.1528 0.3701 0.058 Uiso 1 1 calc R . .
C1H C 0.6049(5) -0.0796(6) 0.3607(3) 0.044(2) Uani 1 1 d . . .
C2H C 0.6575(5) -0.1549(6) 0.3741(4) 0.049(2) Uani 1 1 d . . .
H2H H 0.7045 -0.1383 0.3957 0.059 Uiso 1 1 calc R . .
C3H C 0.6380(6) -0.2537(7) 0.3548(4) 0.067(3) Uani 1 1 d . . .
H3H H 0.6718 -0.3060 0.3626 0.080 Uiso 1 1 calc R . .
C4H C 0.5682(6) -0.2751(7) 0.3236(4) 0.068(3) Uani 1 1 d . . .
H4H H 0.5549 -0.3430 0.3112 0.082 Uiso 1 1 calc R . .
C5H C 0.5200(6) -0.2030(7) 0.3110(4) 0.067(3) Uani 1 1 d . . .
H5H H 0.4731 -0.2196 0.2888 0.081 Uiso 1 1 calc R . .
C6H C 0.5374(5) -0.1046(7) 0.3297(4) 0.054(2) Uani 1 1 d . . .
H6H H 0.5024 -0.0539 0.3210 0.065 Uiso 1 1 calc R . .
C4P C 0.3971(4) 0.2101(6) 0.0596(3) 0.0388(19) Uani 1 1 d . . .
H4P1 H 0.3551 0.2489 0.0367 0.047 Uiso 1 1 calc R . .
H4P2 H 0.4366 0.2419 0.0538 0.047 Uiso 1 1 calc R . .
C5P C 0.3890(4) 0.1012(6) 0.0372(3) 0.0405(19) Uani 1 1 d . . .
H5P1 H 0.3749 0.1035 -0.0042 0.049 Uiso 1 1 calc R . .
H5P2 H 0.3515 0.0673 0.0450 0.049 Uiso 1 1 calc R . .
C6P C 0.4546(4) 0.0373(6) 0.0627(3) 0.0413(19) Uani 1 1 d . . .
H6P1 H 0.4936 0.0755 0.0594 0.050 Uiso 1 1 calc R . .
H6P2 H 0.4485 -0.0265 0.0407 0.050 Uiso 1 1 calc R . .
C1P C 0.5367(5) 0.2267(7) 0.4337(4) 0.048(2) Uani 1 1 d . . .
H1P1 H 0.5336 0.2842 0.4576 0.058 Uiso 1 1 calc R . .
H1P2 H 0.4903 0.1947 0.4170 0.058 Uiso 1 1 calc R . .
C2P C 0.5875(5) 0.1483(8) 0.4714(4) 0.058(3) Uani 1 1 d . . .
H2P1 H 0.6348 0.1769 0.4848 0.069 Uiso 1 1 calc R . .
H2P2 H 0.5764 0.1354 0.5048 0.069 Uiso 1 1 calc R . .
C3P C 0.5860(5) 0.0478(7) 0.4418(4) 0.054(2) Uani 1 1 d . . .
H3P1 H 0.5373 0.0248 0.4237 0.065 Uiso 1 1 calc R . .
H3P2 H 0.6114 -0.0037 0.4705 0.065 Uiso 1 1 calc R . .
C7 C 0.5652(7) 0.2898(9) 0.0176(5) 0.079(3) Uani 1 1 d D B 1
C2S C 0.5477(5) 0.7622(8) 0.4641(5) 0.067(3) Uani 1 1 d . . .
C8 C 0.6613(10) 0.0799(12) 0.6307(8) 0.055(5) Uiso 0.50 1 d PD A 1
S2' S 0.6270(5) 0.0403(7) 0.6557(4) 0.110(2) Uiso 0.50 1 d PD A 2
C8' C 0.6599(10) -0.0475(13) 0.6133(7) 0.048(4) Uiso 0.50 1 d PD A 2
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'
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 Pt2 O1 75.7(2) . . ?
N1 Pt2 P4 97.50(17) . . ?
O1 Pt2 P4 172.59(14) . . ?
N1 Pt2 P3 171.32(17) . . ?
O1 Pt2 P3 95.74(14) . . ?
P4 Pt2 P3 91.00(7) . . ?
N1 Pt2 Pt1 43.27(16) . . ?
O1 Pt2 Pt1 42.98(13) . . ?
P4 Pt2 Pt1 132.69(5) . . ?
P3 Pt2 Pt1 130.08(5) . . ?
O2 S1 O4 115.6(4) . . ?
O2 S1 O3 116.0(4) . . ?
O4 S1 O3 114.1(4) . . ?
O2 S1 C7 103.9(6) . . ?
O4 S1 C7 101.2(5) . . ?
O3 S1 C7 103.3(5) . . ?
C4P P3 C1B 107.3(4) . . ?
C4P P3 C1A 102.3(4) . . ?
C1B P3 C1A 106.4(4) . . ?
C4P P3 Pt2 114.5(3) . . ?
C1B P3 Pt2 114.7(3) . . ?
C1A P3 Pt2 110.6(3) . . ?
Pt1 O1 Pt2 93.6(2) . . ?
N2 N1 Pt1 112.3(4) . . ?
N2 N1 Pt2 107.3(4) . . ?
Pt1 N1 Pt2 93.4(2) . . ?
C6 C1 C2 121.3(9) . . ?
C6 C1 N2 118.0(9) . . ?
C2 C1 N2 120.7(9) . . ?
O1 Pt1 N1 76.1(2) . . ?
O1 Pt1 P2 173.97(15) . . ?
N1 Pt1 P2 97.97(17) . . ?
O1 Pt1 P1 93.20(15) . . ?
N1 Pt1 P1 169.32(17) . . ?
P2 Pt1 P1 92.70(8) . . ?
O1 Pt1 Pt2 43.42(14) . . ?
N1 Pt1 Pt2 43.37(16) . . ?
P2 Pt1 Pt2 130.96(6) . . ?
P1 Pt1 Pt2 127.66(5) . . ?
O5 S2 O7 118.2(6) . . ?
O5 S2 O6 119.4(6) . . ?
O7 S2 O6 114.0(6) . . ?
O5 S2 C8 103.0(8) . . ?
O7 S2 C8 97.3(8) . . ?
O6 S2 C8 98.8(8) . . ?
C1D P4 C1C 104.8(4) . . ?
C1D P4 C6P 103.8(4) . . ?
C1C P4 C6P 106.0(4) . . ?
C1D P4 Pt2 113.7(2) . . ?
C1C P4 Pt2 114.5(3) . . ?
C6P P4 Pt2 113.0(3) . . ?
C1 N2 N1 119.6(7) . . ?
C1 C2 C3 119.5(10) . . ?
C1P P1 C1F 106.2(4) . . ?
C1P P1 C1E 102.7(4) . . ?
C1F P1 C1E 105.3(4) . . ?
C1P P1 Pt1 117.8(3) . . ?
C1F P1 Pt1 112.6(3) . . ?
C1E P1 Pt1 111.1(3) . . ?
C4 C3 C2 121.9(11) . . ?
C3P P2 C1G 105.8(4) . . ?
C3P P2 C1H 101.0(4) . . ?
C1G P2 C1H 107.1(4) . . ?
C3P P2 Pt1 117.0(3) . . ?
C1G P2 Pt1 113.3(3) . . ?
C1H P2 Pt1 111.5(3) . . ?
C8 F4 C8' 67.6(11) . . ?
C3 C4 C5 118.3(11) . . ?
C8 F5 S2' 47.5(8) . . ?
C8' O5 S2 32.2(8) . . ?
C4 C5 C6 120.0(11) . . ?
C8 F6 S2' 51.3(8) . . ?
S2' O6 S2 60.5(5) . . ?
C1 C6 C5 119.0(9) . . ?
C8' O7 S2 31.0(8) . . ?
Cl1 Cl1' C2S 121.2(7) . . ?
C2S Cl2' Cl2 106.8(7) . . ?
C6A C1A C2A 121.4(8) . . ?
C6A C1A P3 117.2(6) . . ?
C2A C1A P3 121.3(7) . . ?
C1A C2A C3A 117.9(9) . . ?
C4A C3A C2A 121.2(10) . . ?
C3A C4A C5A 120.1(9) . . ?
C4A C5A C6A 120.5(10) . . ?
C1A C6A C5A 118.9(9) . . ?
C6B C1B C2B 118.4(8) . . ?
C6B C1B P3 118.4(6) . . ?
C2B C1B P3 123.3(7) . . ?
C1B C2B C3B 120.0(10) . . ?
C4B C3B C2B 121.9(11) . . ?
C3B C4B C5B 119.5(10) . . ?
C4B C5B C6B 119.1(10) . . ?
C1B C6B C5B 121.1(9) . . ?
C2C C1C C6C 119.5(8) . . ?
C2C C1C P4 120.0(6) . . ?
C6C C1C P4 120.3(7) . . ?
C1C C2C C3C 121.4(10) . . ?
C2C C3C C4C 118.2(12) . . ?
C5C C4C C3C 120.4(10) . . ?
C4C C5C C6C 120.8(10) . . ?
C5C C6C C1C 119.8(10) . . ?
C6D C1D C2D 118.8(8) . . ?
C6D C1D P4 121.5(6) . . ?
C2D C1D P4 119.7(7) . . ?
C3D C2D C1D 120.3(9) . . ?
C4D C3D C2D 120.9(9) . . ?
C3D C4D C5D 119.6(9) . . ?
C4D C5D C6D 120.5(10) . . ?
C1D C6D C5D 120.0(9) . . ?
C2E C1E C6E 118.8(9) . . ?
C2E C1E P1 122.0(7) . . ?
C6E C1E P1 119.2(7) . . ?
C1E C2E C3E 120.1(10) . . ?
C4E C3E C2E 120.5(12) . . ?
C5E C4E C3E 118.8(10) . . ?
C4E C5E C6E 122.0(11) . . ?
C5E C6E C1E 119.8(11) . . ?
C2F C1F C6F 119.1(8) . . ?
C2F C1F P1 120.3(6) . . ?
C6F C1F P1 120.5(7) . . ?
C1F C2F C3F 120.5(9) . . ?
C4F C3F C2F 118.8(10) . . ?
C5F C4F C3F 121.2(10) . . ?
C4F C5F C6F 121.5(10) . . ?
C1F C6F C5F 119.0(10) . . ?
C6G C1G C2G 118.9(9) . . ?
C6G C1G P2 119.2(6) . . ?
C2G C1G P2 121.9(8) . . ?
C3G C2G C1G 121.6(11) . . ?
C2G C3G C4G 119.9(9) . . ?
C3G C4G C5G 120.3(10) . . ?
C4G C5G C6G 119.6(11) . . ?
C1G C6G C5G 119.5(9) . . ?
C6H C1H C2H 120.4(8) . . ?
C6H C1H P2 117.4(7) . . ?
C2H C1H P2 122.0(7) . . ?
C3H C2H C1H 117.9(9) . . ?
C2H C3H C4H 119.3(10) . . ?
C5H C4H C3H 121.8(9) . . ?
C4H C5H C6H 120.5(10) . . ?
C1H C6H C5H 120.2(9) . . ?
C5P C4P P3 116.4(6) . . ?
C4P C5P C6P 113.7(6) . . ?
C5P C6P P4 113.5(6) . . ?
C2P C1P P1 115.4(6) . . ?
C3P C2P C1P 113.1(8) . . ?
C2P C3P P2 115.5(7) . . ?
F2 C7 F1 107.8(9) . . ?
F2 C7 F3 107.9(11) . . ?
F1 C7 F3 108.6(10) . . ?
F2 C7 S1 110.8(9) . . ?
F1 C7 S1 111.1(8) . . ?
F3 C7 S1 110.6(8) . . ?
Cl2' C2S Cl1' 118.8(7) . . ?
F6 C8 F4 131.7(16) . . ?
F6 C8 F5 109.5(15) . . ?
F4 C8 F5 115.6(15) . . ?
F6 C8 S2 102.6(11) . . ?
F4 C8 S2 86.9(10) . . ?
F5 C8 S2 98.9(10) . . ?
O6 S2' F6 133.9(8) . . ?
O6 S2' F5 129.1(8) . . ?
F6 S2' F5 95.9(7) . . ?
O6 S2' C8' 84.7(8) . . ?
F6 S2' C8' 104.3(8) . . ?
F5 S2' C8' 93.5(8) . . ?
O5 C8' O7 132.8(16) . . ?
O5 C8' F4 112.1(14) . . ?
O7 C8' F4 110.9(14) . . ?
O5 C8' S2' 102.9(11) . . ?
O7 C8' S2' 96.1(10) . . ?
F4 C8' S2' 89.4(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
Pt2 N1 2.108(6) . ?
Pt2 O1 2.111(5) . ?
Pt2 P4 2.222(2) . ?
Pt2 P3 2.240(2) . ?
Pt2 Pt1 3.0647(5) . ?
Cl1 Cl1' 1.284(11) . ?
S1 O2 1.426(6) . ?
S1 O4 1.448(6) . ?
S1 O3 1.454(6) . ?
S1 C7 1.848(11) . ?
P3 C4P 1.802(8) . ?
P3 C1B 1.808(8) . ?
P3 C1A 1.828(8) . ?
F1 C7 1.330(12) . ?
O1 Pt1 2.093(5) . ?
N1 N2 1.496(10) . ?
N1 Pt1 2.104(6) . ?
C1 C6 1.328(13) . ?
C1 C2 1.376(13) . ?
C1 N2 1.430(11) . ?
Pt1 P2 2.217(2) . ?
Pt1 P1 2.250(2) . ?
Cl2 Cl2' 1.857(11) . ?
S2 O5 1.394(8) . ?
S2 O7 1.444(8) . ?
S2 O6 1.528(8) . ?
S2 C8 1.859(14) . ?
P4 C1D 1.807(8) . ?
P4 C1C 1.820(8) . ?
P4 C6P 1.831(8) . ?
F2 C7 1.299(13) . ?
C2 C3 1.414(14) . ?
P1 C1P 1.803(9) . ?
P1 C1F 1.820(8) . ?
P1 C1E 1.825(9) . ?
F3 C7 1.329(13) . ?
C3 C4 1.368(16) . ?
P2 C3P 1.821(10) . ?
P2 C1G 1.823(9) . ?
P2 C1H 1.832(8) . ?
F4 C8 1.42(2) . ?
F4 C8' 1.67(2) . ?
C4 C5 1.370(15) . ?
F5 C8 1.43(2) . ?
F5 S2' 1.638(12) . ?
O5 C8' 1.301(19) . ?
C5 C6 1.484(14) . ?
F6 C8 1.41(2) . ?
F6 S2' 1.477(11) . ?
O6 S2' 1.439(12) . ?
O7 C8' 1.357(19) . ?
Cl1' C2S 1.744(11) . ?
Cl2' C2S 1.624(12) . ?
C1A C6A 1.385(12) . ?
C1A C2A 1.383(12) . ?
C2A C3A 1.420(13) . ?
C3A C4A 1.361(15) . ?
C4A C5A 1.374(14) . ?
C5A C6A 1.404(12) . ?
C1B C6B 1.356(12) . ?
C1B C2B 1.370(12) . ?
C2B C3B 1.381(14) . ?
C3B C4B 1.310(15) . ?
C4B C5B 1.383(14) . ?
C5B C6B 1.387(13) . ?
C1C C2C 1.368(12) . ?
C1C C6C 1.389(11) . ?
C2C C3C 1.381(13) . ?
C3C C4C 1.405(17) . ?
C4C C5C 1.360(17) . ?
C5C C6C 1.371(13) . ?
C1D C6D 1.352(12) . ?
C1D C2D 1.411(12) . ?
C2D C3D 1.372(12) . ?
C3D C4D 1.358(13) . ?
C4D C5D 1.368(13) . ?
C5D C6D 1.410(12) . ?
C1E C2E 1.360(13) . ?
C1E C6E 1.383(12) . ?
C2E C3E 1.390(13) . ?
C3E C4E 1.362(16) . ?
C4E C5E 1.345(16) . ?
C5E C6E 1.365(14) . ?
C1F C2F 1.371(12) . ?
C1F C6F 1.387(12) . ?
C2F C3F 1.400(13) . ?
C3F C4F 1.372(13) . ?
C4F C5F 1.314(14) . ?
C5F C6F 1.395(14) . ?
C1G C6G 1.371(12) . ?
C1G C2G 1.385(11) . ?
C2G C3G 1.344(14) . ?
C3G C4G 1.362(16) . ?
C4G C5G 1.379(14) . ?
C5G C6G 1.391(13) . ?
C1H C6H 1.368(12) . ?
C1H C2H 1.419(12) . ?
C2H C3H 1.389(12) . ?
C3H C4H 1.397(14) . ?
C4H C5H 1.328(14) . ?
C5H C6H 1.374(13) . ?
C4P C5P 1.524(11) . ?
C5P C6P 1.524(11) . ?
C1P C2P 1.526(12) . ?
C2P C3P 1.515(13) . ?
S2' C8' 1.892(15) . ?
