# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_C
_database_code_depnum_ccdc_archive 'CCDC 1503563'
_audit_update_record             
;
2016-09-08 deposited with the CCDC.
2017-11-03 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H58 N6 O2 Pt S2'
_chemical_formula_sum            'C52 H58 N6 O2 Pt S2'
_chemical_compound_source        synthesis
_exptl_crystal_recrystallization_method acetonitrile
_chemical_melting_point          ?

_exptl_crystal_description       shard
_exptl_crystal_colour            orange

_diffrn_ambient_temperature      100(2)
_diffrn_ambient_pressure         101.3
_chemical_formula_weight         1058.25

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'
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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P c a 21'
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_int_tables_number      29
_chemical_absolute_configuration .

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z'

_cell_length_a                   32.089(5)
_cell_length_b                   10.5036(15)
_cell_length_c                   13.786(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4646.6(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9873
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      28.75
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2152
_exptl_absorpt_coefficient_mu    3.158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4718
_exptl_absorpt_correction_T_max  0.7128
_exptl_absorpt_process_details   'symmetry-related measurements'

_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker SMART Apex '
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            28874
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         28.86
_reflns_number_total             10255
_reflns_number_gt                9243
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.005(3)
_refine_ls_number_reflns         10255
_refine_ls_number_parameters     572
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0222
_refine_ls_wR_factor_ref         0.0455
_refine_ls_wR_factor_gt          0.0439
_refine_ls_goodness_of_fit_ref   0.845
_refine_ls_restrained_S_all      0.845
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000

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 0.603368(3) 0.699742(8) 0.001450(13) 0.01166(3) Uani 1 1 d U . .
S1 S 0.65723(2) 0.83211(7) 0.04548(6) 0.01601(15) Uani 1 1 d . . .
O1 O 0.52029(7) 0.6944(2) 0.16991(17) 0.0233(5) Uani 1 1 d . . .
N1 N 0.55277(7) 0.5954(2) -0.04394(17) 0.0139(5) Uani 1 1 d . . .
S2 S 0.61722(2) 0.57191(7) 0.13152(5) 0.01570(15) Uani 1 1 d . . .
O2 O 0.68578(7) 0.7356(2) -0.17910(15) 0.0197(5) Uani 1 1 d . . .
N2 N 0.58712(8) 0.8036(2) -0.11916(18) 0.0134(5) Uani 1 1 d . . .
N3 N 0.73198(7) 0.7494(2) 0.10603(18) 0.0163(5) Uani 1 1 d . . .
N4 N 0.70917(7) 0.6544(2) -0.03382(18) 0.0165(5) Uani 1 1 d . . .
N5 N 0.62730(8) 0.6362(2) 0.31648(19) 0.0157(6) Uani 1 1 d . . .
N6 N 0.58141(8) 0.7658(2) 0.23538(18) 0.0161(5) Uani 1 1 d . . .
C21 C 0.60635(9) 0.9037(3) -0.1571(2) 0.0172(6) Uani 1 1 d . . .
H21 H 0.6312 0.9344 -0.1277 0.021 Uiso 1 1 calc R . .
C22 C 0.59080(10) 0.9651(3) -0.2399(2) 0.0207(7) Uani 1 1 d . . .
H22 H 0.6054 1.0357 -0.2663 0.025 Uiso 1 1 calc R . .
C23 C 0.55492(11) 0.9242(3) -0.2827(2) 0.0233(7) Uani 1 1 d . . .
H23 H 0.5440 0.9680 -0.3374 0.028 Uiso 1 1 calc R . .
C24 C 0.53411(10) 0.8173(3) -0.2458(2) 0.0195(7) Uani 1 1 d . . .
C25 C 0.49801(10) 0.7604(3) -0.2880(2) 0.0225(7) Uani 1 1 d . . .
H25 H 0.4855 0.7993 -0.3430 0.027 Uiso 1 1 calc R . .
C26 C 0.48122(10) 0.6519(3) -0.2514(2) 0.0236(7) Uani 1 1 d . . .
H26 H 0.4574 0.6158 -0.2817 0.028 Uiso 1 1 calc R . .
C27 C 0.49877(9) 0.5908(3) -0.1679(2) 0.0178(6) Uani 1 1 d . . .
C28 C 0.48309(9) 0.4781(3) -0.1270(2) 0.0215(7) Uani 1 1 d . . .
H28 H 0.4599 0.4358 -0.1553 0.026 Uiso 1 1 calc R . .
C29 C 0.50171(10) 0.4305(3) -0.0457(2) 0.0206(7) Uani 1 1 d . . .
H29 H 0.4909 0.3559 -0.0160 0.025 Uiso 1 1 calc R . .
C30 C 0.53657(8) 0.4905(2) -0.0057(3) 0.0186(6) Uani 1 1 d . . .
H30 H 0.5491 0.4551 0.0506 0.022 Uiso 1 1 calc R . .
C31 C 0.53374(9) 0.6462(3) -0.1243(2) 0.0139(6) Uani 1 1 d . . .
C32 C 0.55182(12) 0.7589(3) -0.1632(3) 0.0157(8) Uani 1 1 d . . .
C1A C 0.70270(9) 0.7353(3) 0.0354(2) 0.0146(6) Uani 1 1 d . . .
C2A C 0.68689(9) 0.6496(2) -0.1178(2) 0.0175(6) Uani 1 1 d D . .
C3A C 0.66566(9) 0.5219(2) -0.1347(2) 0.0151(6) Uani 1 1 d D . .
C4A C 0.67569(10) 0.4239(3) -0.0729(2) 0.0187(6) Uani 1 1 d . . .
H4A H 0.6966 0.4371 -0.0252 0.022 Uiso 1 1 calc R . .
C5A C 0.65586(10) 0.3047(3) -0.0783(2) 0.0229(7) Uani 1 1 d . . .
H5A H 0.6638 0.2381 -0.0355 0.027 Uiso 1 1 calc R . .
C6A C 0.62533(11) 0.2852(3) -0.1450(2) 0.0212(7) Uani 1 1 d . . .
H6A H 0.6119 0.2047 -0.1479 0.025 Uiso 1 1 calc R . .
C7A C 0.61322(9) 0.3821(3) -0.2099(2) 0.0184(7) Uani 1 1 d . . .
C8A C 0.58058(10) 0.3626(3) -0.2776(3) 0.0246(7) Uani 1 1 d . . .
H8A H 0.5666 0.2829 -0.2787 0.029 Uiso 1 1 calc R . .
C9A C 0.56870(10) 0.4548(3) -0.3408(2) 0.0244(7) Uani 1 1 d . . .
H9A H 0.5465 0.4400 -0.3848 0.029 Uiso 1 1 calc R . .
C10A C 0.58961(10) 0.5726(3) -0.3405(2) 0.0196(7) Uani 1 1 d . . .
H10A H 0.5817 0.6366 -0.3857 0.024 Uiso 1 1 calc R . .
C11A C 0.62126(10) 0.5964(3) -0.2759(2) 0.0169(7) Uani 1 1 d . . .
H11A H 0.6348 0.6768 -0.2769 0.020 Uiso 1 1 calc R . .
C12A C 0.63412(9) 0.5029(3) -0.2075(2) 0.0161(6) Uani 1 1 d . . .
C13A C 0.76966(9) 0.6725(3) 0.0973(2) 0.0189(7) Uani 1 1 d . . .
H13A H 0.7922 0.7131 0.1352 0.023 Uiso 1 1 calc R . .
H13B H 0.7785 0.6708 0.0285 0.023 Uiso 1 1 calc R . .
C14A C 0.76382(9) 0.5353(3) 0.1330(2) 0.0212(7) Uani 1 1 d . . .
H14A H 0.7677 0.5323 0.2042 0.025 Uiso 1 1 calc R . .
H14B H 0.7351 0.5068 0.1183 0.025 Uiso 1 1 calc R . .
C15A C 0.79477(11) 0.4456(3) 0.0847(3) 0.0272(8) Uani 1 1 d . . .
H15A H 0.8233 0.4793 0.0942 0.033 Uiso 1 1 calc R . .
H15B H 0.7892 0.4437 0.0141 0.033 Uiso 1 1 calc R . .
C16A C 0.79294(14) 0.3097(3) 0.1240(3) 0.0439(10) Uani 1 1 d U . .
H16A H 0.7991 0.3103 0.1936 0.066 Uiso 1 1 calc R . .
H16B H 0.8135 0.2570 0.0902 0.066 Uiso 1 1 calc R . .
H16C H 0.7650 0.2747 0.1134 0.066 Uiso 1 1 calc R . .
C17A C 0.72377(10) 0.8023(3) 0.2028(2) 0.0180(6) Uani 1 1 d . . .
H17A H 0.7314 0.7381 0.2523 0.022 Uiso 1 1 calc R . .
H17B H 0.6935 0.8194 0.2091 0.022 Uiso 1 1 calc R . .
C18A C 0.74781(10) 0.9254(3) 0.2232(2) 0.0179(7) Uani 1 1 d . . .
H18A H 0.7779 0.9110 0.2119 0.022 Uiso 1 1 calc R . .
H18B H 0.7383 0.9928 0.1781 0.022 Uiso 1 1 calc R . .
C19A C 0.74110(10) 0.9691(3) 0.3270(2) 0.0203(7) Uani 1 1 d . . .
H19A H 0.7117 0.9959 0.3349 0.024 Uiso 1 1 calc R . .
H19B H 0.7461 0.8964 0.3712 0.024 Uiso 1 1 calc R . .
C20A C 0.76935(11) 1.0785(3) 0.3560(3) 0.0311(8) Uani 1 1 d U . .
H20A H 0.7985 1.0514 0.3515 0.047 Uiso 1 1 calc R . .
H20B H 0.7631 1.1039 0.4229 0.047 Uiso 1 1 calc R . .
H20C H 0.7647 1.1508 0.3125 0.047 Uiso 1 1 calc R . .
C1B C 0.60636(9) 0.6678(3) 0.2348(2) 0.0151(6) Uani 1 1 d . . .
C2B C 0.54791(12) 0.7748(3) 0.1736(3) 0.0173(8) Uani 1 1 d D . .
C3B C 0.54597(9) 0.8971(2) 0.1143(2) 0.0159(6) Uani 1 1 d D . .
C4B C 0.57764(9) 0.9848(3) 0.1259(2) 0.0175(6) Uani 1 1 d . . .
H4B H 0.5977 0.9713 0.1755 0.021 Uiso 1 1 calc R . .
C5B C 0.58117(10) 1.0939(3) 0.0667(2) 0.0209(7) Uani 1 1 d . . .
H5B H 0.6037 1.1513 0.0753 0.025 Uiso 1 1 calc R . .
C6B C 0.55189(9) 1.1159(2) -0.0029(4) 0.0227(6) Uani 1 1 d . . .
H6B H 0.5543 1.1892 -0.0429 0.027 Uiso 1 1 calc R . .
C7B C 0.51792(9) 1.0319(3) -0.0167(2) 0.0188(7) Uani 1 1 d . . .
C8B C 0.48753(11) 1.0568(3) -0.0892(2) 0.0243(7) Uani 1 1 d . . .
H8B H 0.4903 1.1305 -0.1285 0.029 Uiso 1 1 calc R . .
C9B C 0.45479(11) 0.9783(3) -0.1035(2) 0.0265(8) Uani 1 1 d . . .
H9B H 0.4347 0.9969 -0.1521 0.032 Uiso 1 1 calc R . .
C10B C 0.45087(10) 0.8688(3) -0.0459(2) 0.0237(7) Uani 1 1 d . . .
H10B H 0.4277 0.8139 -0.0555 0.028 Uiso 1 1 calc R . .
C11B C 0.47963(10) 0.8394(3) 0.0240(2) 0.0197(8) Uani 1 1 d . . .
H11B H 0.4764 0.7637 0.0609 0.024 Uiso 1 1 calc R . .
C12B C 0.51439(9) 0.9207(3) 0.0421(2) 0.0164(6) Uani 1 1 d . . .
C13B C 0.61797(10) 0.7013(3) 0.4082(2) 0.0167(6) Uani 1 1 d . . .
H13C H 0.6226 0.6414 0.4626 0.020 Uiso 1 1 calc R . .
H13D H 0.5882 0.7258 0.4088 0.020 Uiso 1 1 calc R . .
C14B C 0.64432(10) 0.8193(3) 0.4243(2) 0.0186(7) Uani 1 1 d . . .
H14C H 0.6382 0.8822 0.3729 0.022 Uiso 1 1 calc R . .
H14D H 0.6742 0.7962 0.4195 0.022 Uiso 1 1 calc R . .
C15B C 0.63610(10) 0.8793(3) 0.5230(2) 0.0201(8) Uani 1 1 d . . .
H15C H 0.6424 0.8164 0.5744 0.024 Uiso 1 1 calc R . .
H15D H 0.6062 0.9016 0.5280 0.024 Uiso 1 1 calc R . .
C16B C 0.66228(12) 0.9989(3) 0.5398(3) 0.0345(9) Uani 1 1 d U . .
H16D H 0.6919 0.9783 0.5314 0.052 Uiso 1 1 calc R . .
H16E H 0.6576 1.0304 0.6058 0.052 Uiso 1 1 calc R . .
H16F H 0.6542 1.0646 0.4929 0.052 Uiso 1 1 calc R . .
C17B C 0.66000(9) 0.5382(3) 0.3208(2) 0.0190(7) Uani 1 1 d . . .
H17C H 0.6817 0.5655 0.3673 0.023 Uiso 1 1 calc R . .
H17D H 0.6732 0.5305 0.2561 0.023 Uiso 1 1 calc R . .
C18B C 0.64353(11) 0.4086(3) 0.3513(3) 0.0264(7) Uani 1 1 d . . .
H18C H 0.6175 0.3902 0.3154 0.032 Uiso 1 1 calc R . .
H18D H 0.6368 0.4104 0.4214 0.032 Uiso 1 1 calc R . .
C19B C 0.67513(14) 0.3020(3) 0.3320(3) 0.0392(10) Uani 1 1 d . . .
H19C H 0.7034 0.3329 0.3481 0.047 Uiso 1 1 calc R . .
H19D H 0.6689 0.2289 0.3749 0.047 Uiso 1 1 calc R . .
C20B C 0.67445(14) 0.2576(4) 0.2272(3) 0.0448(10) Uani 1 1 d U . .
H20D H 0.6469 0.2226 0.2119 0.067 Uiso 1 1 calc R . .
H20E H 0.6957 0.1918 0.2178 0.067 Uiso 1 1 calc R . .
H20F H 0.6803 0.3299 0.1844 0.067 Uiso 1 1 calc R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N2 2.056(2) . ?
Pt1 N1 2.056(2) . ?
Pt1 S2 2.2838(8) . ?
Pt1 S1 2.2998(8) . ?
S1 C1A 1.784(3) . ?
O1 C2B 1.225(4) . ?
N1 C30 1.327(4) . ?
N1 C31 1.372(4) . ?
S2 C1B 1.778(3) . ?
O2 C2A 1.237(4) . ?
N2 C21 1.327(4) . ?
N2 C32 1.368(4) . ?
N3 C1A 1.361(4) . ?
N3 C13A 1.459(4) . ?
N3 C17A 1.469(4) . ?
N4 C1A 1.294(3) . ?
N4 C2A 1.362(4) . ?
N5 C1B 1.353(4) . ?
N5 C13B 1.469(4) . ?
N5 C17B 1.471(4) . ?
N6 C1B 1.304(4) . ?
N6 C2B 1.374(4) . ?
C21 C22 1.402(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.363(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.402(4) . ?
C23 H23 0.9500 . ?
C24 C32 1.413(5) . ?
C24 C25 1.428(4) . ?
C25 C26 1.358(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.434(4) . ?
C26 H26 0.9500 . ?
C27 C31 1.400(4) . ?
C27 C28 1.404(4) . ?
C28 C29 1.365(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.397(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.424(5) . ?
C2A C3A 1.5229(18) . ?
C3A C4A 1.374(4) . ?
C3A C12A 1.439(4) . ?
C4A C5A 1.406(4) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.359(5) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.410(5) . ?
C6A H6A 0.9500 . ?
C7A C8A 1.417(4) . ?
C7A C12A 1.436(4) . ?
C8A C9A 1.357(5) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.408(4) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.374(4) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.422(4) . ?
C11A H11A 0.9500 . ?
C13A C14A 1.534(4) . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
C14A C15A 1.522(4) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
C15A C16A 1.527(5) . ?
C15A H15A 0.9900 . ?
C15A H15B 0.9900 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C17A C18A 1.532(4) . ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
C18A C19A 1.517(4) . ?
C18A H18A 0.9900 . ?
C18A H18B 0.9900 . ?
C19A C20A 1.517(4) . ?
C19A H19A 0.9900 . ?
C19A H19B 0.9900 . ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C20A H20C 0.9800 . ?
C2B C3B 1.5238(19) . ?
C3B C4B 1.381(4) . ?
C3B C12B 1.442(4) . ?
C4B C5B 1.411(4) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.363(5) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.416(4) . ?
C6B H6B 0.9500 . ?
C7B C8B 1.420(4) . ?
C7B C12B 1.426(4) . ?
C8B C9B 1.350(5) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.403(4) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.369(4) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.427(4) . ?
C11B H11B 0.9500 . ?
C13B C14B 1.516(4) . ?
C13B H13C 0.9900 . ?
C13B H13D 0.9900 . ?
C14B C15B 1.522(4) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C15B C16B 1.529(4) . ?
C15B H15C 0.9900 . ?
C15B H15D 0.9900 . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C17B C18B 1.520(4) . ?
C17B H17C 0.9900 . ?
C17B H17D 0.9900 . ?
C18B C19B 1.534(5) . ?
C18B H18C 0.9900 . ?
C18B H18D 0.9900 . ?
C19B C20B 1.517(6) . ?
C19B H19C 0.9900 . ?
C19B H19D 0.9900 . ?
C20B H20D 0.9800 . ?
C20B H20E 0.9800 . ?
C20B H20F 0.9800 . ?

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
N2 Pt1 N1 80.58(9) . . ?
N2 Pt1 S2 175.09(7) . . ?
N1 Pt1 S2 94.55(7) . . ?
N2 Pt1 S1 94.78(7) . . ?
N1 Pt1 S1 174.80(7) . . ?
S2 Pt1 S1 90.11(3) . . ?
C1A S1 Pt1 104.44(10) . . ?
C30 N1 C31 118.0(3) . . ?
C30 N1 Pt1 129.1(2) . . ?
C31 N1 Pt1 112.95(18) . . ?
C1B S2 Pt1 104.92(11) . . ?
C21 N2 C32 118.8(3) . . ?
C21 N2 Pt1 128.4(2) . . ?
C32 N2 Pt1 112.8(2) . . ?
C1A N3 C13A 116.9(3) . . ?
C1A N3 C17A 124.5(3) . . ?
C13A N3 C17A 115.6(2) . . ?
C1A N4 C2A 124.6(3) . . ?
C1B N5 C13B 120.1(2) . . ?
C1B N5 C17B 124.0(3) . . ?
C13B N5 C17B 115.9(2) . . ?
C1B N6 C2B 122.1(3) . . ?
N2 C21 C22 121.3(3) . . ?
N2 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C23 C22 C21 120.5(3) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 119.9(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C32 116.6(3) . . ?
C23 C24 C25 125.0(3) . . ?
C32 C24 C25 118.3(3) . . ?
C26 C25 C24 121.4(3) . . ?
C26 C25 H25 119.3 . . ?
C24 C25 H25 119.3 . . ?
C25 C26 C27 121.2(3) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C31 C27 C28 117.7(3) . . ?
C31 C27 C26 118.3(3) . . ?
C28 C27 C26 124.0(3) . . ?
C29 C28 C27 118.8(3) . . ?
C29 C28 H28 120.6 . . ?
C27 C28 H28 120.6 . . ?
C28 C29 C30 120.6(3) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
N1 C30 C29 122.1(3) . . ?
N1 C30 H30 119.0 . . ?
C29 C30 H30 119.0 . . ?
N1 C31 C27 122.8(3) . . ?
N1 C31 C32 116.5(3) . . ?
C27 C31 C32 120.7(3) . . ?
N2 C32 C24 122.8(3) . . ?
N2 C32 C31 117.1(3) . . ?
C24 C32 C31 120.0(3) . . ?
N4 C1A N3 119.2(3) . . ?
N4 C1A S1 124.3(2) . . ?
N3 C1A S1 116.5(2) . . ?
O2 C2A N4 124.7(2) . . ?
O2 C2A C3A 121.7(3) . . ?
N4 C2A C3A 113.4(3) . . ?
C4A C3A C12A 119.6(2) . . ?
C4A C3A C2A 117.4(3) . . ?
C12A C3A C2A 122.9(3) . . ?
C3A C4A C5A 121.9(3) . . ?
C3A C4A H4A 119.1 . . ?
C5A C4A H4A 119.1 . . ?
C6A C5A C4A 119.7(3) . . ?
C6A C5A H5A 120.1 . . ?
C4A C5A H5A 120.1 . . ?
C5A C6A C7A 121.3(3) . . ?
C5A C6A H6A 119.3 . . ?
C7A C6A H6A 119.3 . . ?
C6A C7A C8A 121.2(3) . . ?
C6A C7A C12A 119.6(3) . . ?
C8A C7A C12A 119.2(3) . . ?
C9A C8A C7A 121.8(3) . . ?
C9A C8A H8A 119.1 . . ?
C7A C8A H8A 119.1 . . ?
C8A C9A C10A 119.4(3) . . ?
C8A C9A H9A 120.3 . . ?
C10A C9A H9A 120.3 . . ?
C11A C10A C9A 120.9(3) . . ?
C11A C10A H10A 119.5 . . ?
C9A C10A H10A 119.5 . . ?
C10A C11A C12A 121.2(3) . . ?
C10A C11A H11A 119.4 . . ?
C12A C11A H11A 119.4 . . ?
C11A C12A C7A 117.4(3) . . ?
C11A C12A C3A 124.8(3) . . ?
C7A C12A C3A 117.8(3) . . ?
N3 C13A C14A 113.1(2) . . ?
N3 C13A H13A 109.0 . . ?
C14A C13A H13A 109.0 . . ?
N3 C13A H13B 109.0 . . ?
C14A C13A H13B 109.0 . . ?
H13A C13A H13B 107.8 . . ?
C15A C14A C13A 111.2(3) . . ?
C15A C14A H14A 109.4 . . ?
C13A C14A H14A 109.4 . . ?
C15A C14A H14B 109.4 . . ?
C13A C14A H14B 109.4 . . ?
H14A C14A H14B 108.0 . . ?
C14A C15A C16A 113.5(3) . . ?
C14A C15A H15A 108.9 . . ?
C16A C15A H15A 108.9 . . ?
C14A C15A H15B 108.9 . . ?
C16A C15A H15B 108.9 . . ?
H15A C15A H15B 107.7 . . ?
C15A C16A H16A 109.5 . . ?
C15A C16A H16B 109.5 . . ?
H16A C16A H16B 109.5 . . ?
C15A C16A H16C 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
N3 C17A C18A 113.3(2) . . ?
N3 C17A H17A 108.9 . . ?
C18A C17A H17A 108.9 . . ?
N3 C17A H17B 108.9 . . ?
C18A C17A H17B 108.9 . . ?
H17A C17A H17B 107.7 . . ?
C19A C18A C17A 110.9(2) . . ?
C19A C18A H18A 109.5 . . ?
C17A C18A H18A 109.5 . . ?
C19A C18A H18B 109.5 . . ?
C17A C18A H18B 109.5 . . ?
H18A C18A H18B 108.0 . . ?
C20A C19A C18A 113.2(3) . . ?
C20A C19A H19A 108.9 . . ?
C18A C19A H19A 108.9 . . ?
C20A C19A H19B 108.9 . . ?
C18A C19A H19B 108.9 . . ?
H19A C19A H19B 107.8 . . ?
C19A C20A H20A 109.5 . . ?
C19A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
C19A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
N6 C1B N5 119.6(3) . . ?
N6 C1B S2 124.9(2) . . ?
N5 C1B S2 115.5(2) . . ?
O1 C2B N6 123.0(3) . . ?
O1 C2B C3B 121.9(3) . . ?
N6 C2B C3B 115.0(3) . . ?
C4B C3B C12B 118.8(2) . . ?
C4B C3B C2B 118.0(3) . . ?
C12B C3B C2B 123.0(3) . . ?
C3B C4B C5B 122.3(3) . . ?
C3B C4B H4B 118.9 . . ?
C5B C4B H4B 118.9 . . ?
C6B C5B C4B 119.3(3) . . ?
C6B C5B H5B 120.3 . . ?
C4B C5B H5B 120.3 . . ?
C5B C6B C7B 121.3(3) . . ?
C5B C6B H6B 119.3 . . ?
C7B C6B H6B 119.3 . . ?
C6B C7B C8B 120.6(3) . . ?
C6B C7B C12B 119.7(3) . . ?
C8B C7B C12B 119.7(3) . . ?
C9B C8B C7B 121.7(3) . . ?
C9B C8B H8B 119.2 . . ?
C7B C8B H8B 119.2 . . ?
C8B C9B C10B 119.1(3) . . ?
C8B C9B H9B 120.4 . . ?
C10B C9B H9B 120.4 . . ?
C11B C10B C9B 121.5(3) . . ?
C11B C10B H10B 119.2 . . ?
C9B C10B H10B 119.2 . . ?
C10B C11B C12B 121.0(3) . . ?
C10B C11B H11B 119.5 . . ?
C12B C11B H11B 119.5 . . ?
C7B C12B C11B 116.9(3) . . ?
C7B C12B C3B 118.5(3) . . ?
C11B C12B C3B 124.5(3) . . ?
N5 C13B C14B 113.1(3) . . ?
N5 C13B H13C 108.9 . . ?
C14B C13B H13C 108.9 . . ?
N5 C13B H13D 108.9 . . ?
C14B C13B H13D 108.9 . . ?
H13C C13B H13D 107.8 . . ?
C13B C14B C15B 111.9(3) . . ?
C13B C14B H14C 109.2 . . ?
C15B C14B H14C 109.2 . . ?
C13B C14B H14D 109.2 . . ?
C15B C14B H14D 109.2 . . ?
H14C C14B H14D 107.9 . . ?
C14B C15B C16B 112.3(3) . . ?
C14B C15B H15C 109.1 . . ?
C16B C15B H15C 109.1 . . ?
C14B C15B H15D 109.1 . . ?
C16B C15B H15D 109.1 . . ?
H15C C15B H15D 107.9 . . ?
C15B C16B H16D 109.5 . . ?
C15B C16B H16E 109.5 . . ?
H16D C16B H16E 109.5 . . ?
C15B C16B H16F 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
N5 C17B C18B 112.9(3) . . ?
N5 C17B H17C 109.0 . . ?
C18B C17B H17C 109.0 . . ?
N5 C17B H17D 109.0 . . ?
C18B C17B H17D 109.0 . . ?
H17C C17B H17D 107.8 . . ?
C17B C18B C19B 112.1(3) . . ?
C17B C18B H18C 109.2 . . ?
C19B C18B H18C 109.2 . . ?
C17B C18B H18D 109.2 . . ?
C19B C18B H18D 109.2 . . ?
H18C C18B H18D 107.9 . . ?
C20B C19B C18B 112.3(3) . . ?
C20B C19B H19C 109.1 . . ?
C18B C19B H19C 109.1 . . ?
C20B C19B H19D 109.1 . . ?
C18B C19B H19D 109.1 . . ?
H19C C19B H19D 107.9 . . ?
C19B C20B H20D 109.5 . . ?
C19B C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
C19B C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Pt1 S1 C1A -116.19(12) . . . . ?
S2 Pt1 S1 C1A 63.41(10) . . . . ?
N2 Pt1 N1 C30 178.9(3) . . . . ?
S2 Pt1 N1 C30 -0.5(3) . . . . ?
N2 Pt1 N1 C31 -2.19(19) . . . . ?
S2 Pt1 N1 C31 178.42(18) . . . . ?
N1 Pt1 S2 C1B -112.60(12) . . . . ?
S1 Pt1 S2 C1B 65.09(10) . . . . ?
N1 Pt1 N2 C21 -176.4(3) . . . . ?
S1 Pt1 N2 C21 6.0(2) . . . . ?
N1 Pt1 N2 C32 3.3(2) . . . . ?
S1 Pt1 N2 C32 -174.3(2) . . . . ?
C32 N2 C21 C22 1.1(4) . . . . ?
Pt1 N2 C21 C22 -179.3(2) . . . . ?
N2 C21 C22 C23 1.0(5) . . . . ?
C21 C22 C23 C24 -2.2(5) . . . . ?
C22 C23 C24 C32 1.2(4) . . . . ?
C22 C23 C24 C25 -175.5(3) . . . . ?
C23 C24 C25 C26 175.7(3) . . . . ?
C32 C24 C25 C26 -1.0(5) . . . . ?
C24 C25 C26 C27 0.8(5) . . . . ?
C25 C26 C27 C31 0.3(5) . . . . ?
C25 C26 C27 C28 -179.5(3) . . . . ?
C31 C27 C28 C29 1.9(4) . . . . ?
C26 C27 C28 C29 -178.2(3) . . . . ?
C27 C28 C29 C30 -2.0(5) . . . . ?
C31 N1 C30 C29 1.1(4) . . . . ?
Pt1 N1 C30 C29 180.0(2) . . . . ?
C28 C29 C30 N1 0.5(5) . . . . ?
C30 N1 C31 C27 -1.2(4) . . . . ?
Pt1 N1 C31 C27 179.8(2) . . . . ?
C30 N1 C31 C32 179.8(3) . . . . ?
Pt1 N1 C31 C32 0.8(3) . . . . ?
C28 C27 C31 N1 -0.3(4) . . . . ?
C26 C27 C31 N1 179.8(3) . . . . ?
C28 C27 C31 C32 178.7(3) . . . . ?
C26 C27 C31 C32 -1.2(4) . . . . ?
C21 N2 C32 C24 -2.1(5) . . . . ?
Pt1 N2 C32 C24 178.2(3) . . . . ?
C21 N2 C32 C31 175.7(3) . . . . ?
Pt1 N2 C32 C31 -3.9(4) . . . . ?
C23 C24 C32 N2 0.9(5) . . . . ?
C25 C24 C32 N2 177.9(3) . . . . ?
C23 C24 C32 C31 -176.8(3) . . . . ?
C25 C24 C32 C31 0.1(5) . . . . ?
N1 C31 C32 N2 2.2(4) . . . . ?
C27 C31 C32 N2 -176.9(3) . . . . ?
N1 C31 C32 C24 -180.0(3) . . . . ?
C27 C31 C32 C24 1.0(5) . . . . ?
C2A N4 C1A N3 -166.1(3) . . . . ?
C2A N4 C1A S1 13.9(4) . . . . ?
C13A N3 C1A N4 1.2(4) . . . . ?
C17A N3 C1A N4 -158.7(3) . . . . ?
C13A N3 C1A S1 -178.8(2) . . . . ?
C17A N3 C1A S1 21.3(4) . . . . ?
Pt1 S1 C1A N4 40.2(3) . . . . ?
Pt1 S1 C1A N3 -139.8(2) . . . . ?
C1A N4 C2A O2 63.4(4) . . . . ?
C1A N4 C2A C3A -121.4(3) . . . . ?
O2 C2A C3A C4A 166.7(3) . . . . ?
N4 C2A C3A C4A -8.6(4) . . . . ?
O2 C2A C3A C12A -17.5(4) . . . . ?
N4 C2A C3A C12A 167.2(3) . . . . ?
C12A C3A C4A C5A -0.2(4) . . . . ?
C2A C3A C4A C5A 175.8(3) . . . . ?
C3A C4A C5A C6A -1.2(5) . . . . ?
C4A C5A C6A C7A 0.6(5) . . . . ?
C5A C6A C7A C8A -178.2(3) . . . . ?
C5A C6A C7A C12A 1.5(5) . . . . ?
C6A C7A C8A C9A -179.7(3) . . . . ?
C12A C7A C8A C9A 0.5(5) . . . . ?
C7A C8A C9A C10A 0.9(5) . . . . ?
C8A C9A C10A C11A -1.3(5) . . . . ?
C9A C10A C11A C12A 0.3(5) . . . . ?
C10A C11A C12A C7A 1.1(4) . . . . ?
C10A C11A C12A C3A -177.2(3) . . . . ?
C6A C7A C12A C11A 178.8(3) . . . . ?
C8A C7A C12A C11A -1.5(4) . . . . ?
C6A C7A C12A C3A -2.9(4) . . . . ?
C8A C7A C12A C3A 176.9(3) . . . . ?
C4A C3A C12A C11A -179.5(3) . . . . ?
C2A C3A C12A C11A 4.7(5) . . . . ?
C4A C3A C12A C7A 2.2(4) . . . . ?
C2A C3A C12A C7A -173.5(3) . . . . ?
C1A N3 C13A C14A -80.5(3) . . . . ?
C17A N3 C13A C14A 81.2(3) . . . . ?
N3 C13A C14A C15A 155.1(3) . . . . ?
C13A C14A C15A C16A 174.9(3) . . . . ?
C1A N3 C17A C18A -117.2(3) . . . . ?
C13A N3 C17A C18A 82.6(3) . . . . ?
N3 C17A C18A C19A -175.0(3) . . . . ?
C17A C18A C19A C20A 170.9(3) . . . . ?
C2B N6 C1B N5 -153.4(3) . . . . ?
C2B N6 C1B S2 29.1(4) . . . . ?
C13B N5 C1B N6 7.8(4) . . . . ?
C17B N5 C1B N6 -172.0(3) . . . . ?
C13B N5 C1B S2 -174.4(2) . . . . ?
C17B N5 C1B S2 5.7(4) . . . . ?
Pt1 S2 C1B N6 23.6(3) . . . . ?
Pt1 S2 C1B N5 -154.0(2) . . . . ?
C1B N6 C2B O1 56.8(5) . . . . ?
C1B N6 C2B C3B -127.0(3) . . . . ?
O1 C2B C3B C4B 177.4(3) . . . . ?
N6 C2B C3B C4B 1.2(4) . . . . ?
O1 C2B C3B C12B -7.2(5) . . . . ?
N6 C2B C3B C12B 176.6(3) . . . . ?
C12B C3B C4B C5B -2.8(4) . . . . ?
C2B C3B C4B C5B 172.7(3) . . . . ?
C3B C4B C5B C6B 1.7(5) . . . . ?
C4B C5B C6B C7B 0.3(5) . . . . ?
C5B C6B C7B C8B 179.6(3) . . . . ?
C5B C6B C7B C12B -1.0(5) . . . . ?
C6B C7B C8B C9B -179.8(3) . . . . ?
C12B C7B C8B C9B 0.7(4) . . . . ?
C7B C8B C9B C10B -0.5(5) . . . . ?
C8B C9B C10B C11B -0.5(5) . . . . ?
C9B C10B C11B C12B 1.3(4) . . . . ?
C6B C7B C12B C11B -179.5(3) . . . . ?
C8B C7B C12B C11B -0.1(4) . . . . ?
C6B C7B C12B C3B -0.2(4) . . . . ?
C8B C7B C12B C3B 179.3(3) . . . . ?
C10B C11B C12B C7B -0.9(4) . . . . ?
C10B C11B C12B C3B 179.8(3) . . . . ?
C4B C3B C12B C7B 2.0(4) . . . . ?
C2B C3B C12B C7B -173.3(3) . . . . ?
C4B C3B C12B C11B -178.7(3) . . . . ?
C2B C3B C12B C11B 6.0(4) . . . . ?
C1B N5 C13B C14B -90.1(3) . . . . ?
C17B N5 C13B C14B 89.7(3) . . . . ?
N5 C13B C14B C15B -176.0(2) . . . . ?
C13B C14B C15B C16B -179.6(3) . . . . ?
C1B N5 C17B C18B -94.5(4) . . . . ?
C13B N5 C17B C18B 85.7(3) . . . . ?
N5 C17B C18B C19B 166.2(3) . . . . ?
C17B C18B C19B C20B -81.5(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.952
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.688
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.077


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_C_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1503564'
_audit_update_record             
;
2016-09-08 deposited with the CCDC.
2017-11-03 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_formula_moiety         
'C36 H36 N6 O2 Pt S2, C36 H38 N6 O2 Pt S2, 2(H2 O)'
_chemical_formula_sum            'C72 H78 N12 O6 Pt2 S4'
_chemical_compound_source        synthesis
_exptl_crystal_recrystallization_method Acetonitrile
_chemical_melting_point          ?

_exptl_crystal_description       Plates
_exptl_crystal_colour            Yellow

_diffrn_ambient_temperature      100(2)
_diffrn_ambient_pressure         101.3
_chemical_formula_weight         1725.88

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'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_int_tables_number      2
_chemical_absolute_configuration .

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.203(6)
_cell_length_b                   14.849(7)
_cell_length_c                   19.502(9)
_cell_angle_alpha                102.474(5)
_cell_angle_beta                 108.801(5)
_cell_angle_gamma                94.644(5)
_cell_volume                     3487(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5612
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      22.73
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1724
_exptl_absorpt_coefficient_mu    4.189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3867
_exptl_absorpt_correction_T_max  0.7225
_exptl_absorpt_process_details   'symmetry-related measurements'

_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker SMART Apex'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            33590
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_av_sigmaI/netI    0.0807
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         25.10
_reflns_number_total             12306
_reflns_number_gt                8821
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0443P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00042(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         12306
_refine_ls_number_parameters     901
_refine_ls_number_restraints     816
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0431
_refine_ls_wR_factor_ref         0.1012
_refine_ls_wR_factor_gt          0.0903
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_restrained_S_all      0.964
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.24788(2) 0.140949(18) 0.172231(15) 0.01860(9) Uani 1 1 d U . .
HB H -0.009(4) 0.292(5) 0.163(3) 0.06(3) Uiso 1 1 d D . .
Pt2 Pt 0.18933(2) 0.376127(18) -0.177357(15) 0.01956(9) Uani 1 1 d U . .
O3 O 0.4926(4) 0.2051(4) -0.1412(3) 0.0350(13) Uani 1 1 d D . .
H3A H 0.520(5) 0.144(2) -0.145(4) 0.04(2) Uiso 1 1 d D . .
HA H -0.058(6) 0.3779(11) 0.128(4) 0.06(3) Uiso 1 1 d D . .
H3B H 0.435(6) 0.202(7) -0.190(3) 0.11(4) Uiso 1 1 d D . .
O4 O -0.0692(4) 0.3092(3) 0.1239(3) 0.0287(12) Uani 1 1 d D . .
C23B C 0.3862(7) 0.0100(7) 0.3934(5) 0.053(2) Uani 1 1 d U . .
H23A H 0.3419 0.0601 0.3853 0.064 Uiso 1 1 calc R . .
H23B H 0.4393 0.0307 0.4451 0.064 Uiso 1 1 calc R . .
C21B C 0.5534(7) -0.0347(7) 0.3636(5) 0.054(2) Uani 1 1 d U . .
H21A H 0.5666 -0.0692 0.3186 0.064 Uiso 1 1 calc R . .
H21B H 0.5530 -0.0776 0.3961 0.064 Uiso 1 1 calc R . .
C24B C 0.3133(8) -0.0764(7) 0.3870(6) 0.068(3) Uani 1 1 d U . .
H24A H 0.2566 -0.0949 0.3372 0.102 Uiso 1 1 calc R . .
H24B H 0.2798 -0.0638 0.4254 0.102 Uiso 1 1 calc R . .
H24C H 0.3558 -0.1269 0.3940 0.102 Uiso 1 1 calc R . .
C22B C 0.6415(8) 0.0491(7) 0.4056(5) 0.064(3) Uani 1 1 d U . .
H22A H 0.6457 0.0882 0.3717 0.096 Uiso 1 1 calc R . .
H22B H 0.7112 0.0280 0.4246 0.096 Uiso 1 1 calc R . .
H22C H 0.6247 0.0855 0.4477 0.096 Uiso 1 1 calc R . .
S1A S 0.06804(13) 0.26116(12) -0.27248(10) 0.0232(4) Uani 1 1 d U . .
O1A O 0.3196(4) 0.2156(3) -0.2675(3) 0.0287(12) Uani 1 1 d U . .
N1A N 0.2045(4) 0.2835(4) -0.3494(3) 0.0206(12) Uani 1 1 d U . .
C1A C 0.1088(5) 0.2490(5) -0.3500(4) 0.0204(14) Uani 1 1 d U . .
S2A S 0.13507(14) 0.48423(12) -0.24309(11) 0.0246(4) Uani 1 1 d U . .
O2A O 0.0289(4) 0.5065(3) -0.1094(3) 0.0268(11) Uani 1 1 d U . .
N2A N 0.0342(4) 0.2029(4) -0.4172(3) 0.0264(13) Uani 1 1 d U . .
C2A C 0.2997(5) 0.2790(5) -0.2998(4) 0.0222(14) Uani 1 1 d U . .
N3A N -0.0499(4) 0.5201(4) -0.3264(3) 0.0260(13) Uani 1 1 d U . .
C3A C 0.3899(5) 0.3532(5) -0.2907(4) 0.0202(14) Uani 1 1 d U . .
N4A N -0.0704(4) 0.4518(4) -0.2369(3) 0.0237(13) Uani 1 1 d U . .
C4A C 0.3655(5) 0.4372(5) -0.3083(4) 0.0275(16) Uani 1 1 d U . .
H4A H 0.2922 0.4472 -0.3234 0.033 Uiso 1 1 calc R . .
N5A N 0.2600(4) 0.2879(4) -0.1148(3) 0.0217(12) Uani 1 1 d U . .
C5A C 0.4475(6) 0.5072(5) -0.3042(4) 0.0312(16) Uani 1 1 d U . .
H5A H 0.4303 0.5644 -0.3157 0.037 Uiso 1 1 calc R . .
N6A N 0.2895(4) 0.4730(4) -0.0814(3) 0.0206(12) Uani 1 1 d U . .
C6A C 0.5544(6) 0.4911(5) -0.2830(4) 0.0305(16) Uani 1 1 d U . .
H6A H 0.6109 0.5374 -0.2800 0.037 Uiso 1 1 calc R . .
C7A C 0.5781(6) 0.4078(5) -0.2663(4) 0.0303(16) Uani 1 1 d U . .
H7A H 0.6508 0.3963 -0.2532 0.036 Uiso 1 1 calc R . .
C8A C 0.4964(5) 0.3403(5) -0.2684(4) 0.0266(16) Uani 1 1 d U . .
H8A H 0.5146 0.2847 -0.2543 0.032 Uiso 1 1 calc R . .
C9A C 0.0694(6) 0.1782(5) -0.4827(4) 0.0366(18) Uani 1 1 d U . .
H9A1 H 0.1141 0.2335 -0.4852 0.044 Uiso 1 1 calc R . .
H9A2 H 0.0052 0.1586 -0.5293 0.044 Uiso 1 1 calc R . .
C10A C 0.1379(7) 0.0959(6) -0.4755(5) 0.047(2) Uani 1 1 d U . .
H10A H 0.0931 0.0411 -0.4738 0.070 Uiso 1 1 calc R . .
H10B H 0.2016 0.1157 -0.4294 0.070 Uiso 1 1 calc R . .
H10C H 0.1614 0.0799 -0.5188 0.070 Uiso 1 1 calc R . .
C11A C -0.0803(5) 0.1826(5) -0.4317(4) 0.0335(18) Uani 1 1 d U . .
H11A H -0.0917 0.1761 -0.3851 0.040 Uiso 1 1 calc R . .
H11B H -0.1108 0.1223 -0.4699 0.040 Uiso 1 1 calc R . .
C12A C -0.1403(7) 0.2581(6) -0.4591(6) 0.067(3) Uani 1 1 d U . .
H12A H -0.1286 0.2654 -0.5049 0.101 Uiso 1 1 calc R . .
H12B H -0.1129 0.3174 -0.4203 0.101 Uiso 1 1 calc R . .
H12C H -0.2180 0.2405 -0.4697 0.101 Uiso 1 1 calc R . .
C13A C -0.0042(5) 0.4852(5) -0.2669(4) 0.0225(14) Uani 1 1 d U . .
C14A C -0.0415(5) 0.4510(5) -0.1639(4) 0.0226(14) Uani 1 1 d U . .
C15A C -0.1134(5) 0.3772(5) -0.1496(4) 0.0217(14) Uani 1 1 d U . .
C16A C -0.1782(5) 0.3017(5) -0.2089(4) 0.0254(15) Uani 1 1 d U . .
H16A H -0.1774 0.2960 -0.2582 0.030 Uiso 1 1 calc R . .
C17A C -0.2436(6) 0.2353(5) -0.1942(5) 0.0309(16) Uani 1 1 d U . .
H17C H -0.2876 0.1838 -0.2338 0.037 Uiso 1 1 calc R . .
C18A C -0.2447(6) 0.2441(5) -0.1217(5) 0.0315(16) Uani 1 1 d U . .
H18A H -0.2901 0.1993 -0.1120 0.038 Uiso 1 1 calc R . .
C19A C -0.1800(5) 0.3176(5) -0.0650(4) 0.0278(16) Uani 1 1 d U . .
H19D H -0.1790 0.3224 -0.0154 0.033 Uiso 1 1 calc R . .
C20A C -0.1157(5) 0.3854(5) -0.0785(4) 0.0226(14) Uani 1 1 d U . .
H20A H -0.0733 0.4373 -0.0388 0.027 Uiso 1 1 calc R . .
C21A C 0.0005(7) 0.5290(6) -0.3848(5) 0.046(2) Uani 1 1 d U . .
H1 H 0.0544 0.4863 -0.3844 0.055 Uiso 1 1 calc R . .
H2 H -0.0562 0.5116 -0.4353 0.055 Uiso 1 1 calc R . .
C22A C 0.0542(8) 0.6270(6) -0.3679(5) 0.060(3) Uani 1 1 d U . .
H3 H 0.1136 0.6425 -0.3194 0.090 Uiso 1 1 calc R . .
H4 H 0.0013 0.6692 -0.3658 0.090 Uiso 1 1 calc R . .
H5 H 0.0830 0.6340 -0.4072 0.090 Uiso 1 1 calc R . .
C23A C -0.1616(5) 0.5430(5) -0.3401(4) 0.0319(17) Uani 1 1 d U . .
H6 H -0.1678 0.5978 -0.3616 0.038 Uiso 1 1 calc R . .
H7 H -0.1734 0.5605 -0.2917 0.038 Uiso 1 1 calc R . .
C24A C -0.2485(6) 0.4628(5) -0.3925(5) 0.042(2) Uani 1 1 d U . .
H24D H -0.2484 0.4109 -0.3688 0.063 Uiso 1 1 calc R . .
H24E H -0.2341 0.4421 -0.4392 0.063 Uiso 1 1 calc R . .
H24F H -0.3194 0.4834 -0.4035 0.063 Uiso 1 1 calc R . .
C25A C 0.2468(5) 0.1944(5) -0.1361(4) 0.0252(15) Uani 1 1 d U . .
H25A H 0.2029 0.1621 -0.1860 0.030 Uiso 1 1 calc R . .
C26A C 0.2977(5) 0.1432(5) -0.0849(4) 0.0277(15) Uani 1 1 d U . .
H26A H 0.2875 0.0769 -0.1006 0.033 Uiso 1 1 calc R . .
C27A C 0.3606(5) 0.1882(5) -0.0141(4) 0.0304(16) Uani 1 1 d U . .
H27A H 0.3939 0.1535 0.0202 0.036 Uiso 1 1 calc R . .
C28A C 0.3769(5) 0.2855(5) 0.0089(4) 0.0248(14) Uani 1 1 d U . .
C29A C 0.4443(5) 0.3407(5) 0.0824(4) 0.0286(16) Uani 1 1 d U . .
H29A H 0.4797 0.3104 0.1195 0.034 Uiso 1 1 calc R . .
C30A C 0.4579(5) 0.4357(5) 0.0993(4) 0.0303(16) Uani 1 1 d U . .
H30A H 0.5012 0.4704 0.1486 0.036 Uiso 1 1 calc R . .
C31A C 0.4089(5) 0.4844(5) 0.0451(4) 0.0257(14) Uani 1 1 d U . .
C32A C 0.4249(5) 0.5828(5) 0.0588(4) 0.0272(15) Uani 1 1 d U . .
H32A H 0.4710 0.6211 0.1062 0.033 Uiso 1 1 calc R . .
C33A C 0.3722(5) 0.6216(5) 0.0022(4) 0.0273(16) Uani 1 1 d U . .
H33A H 0.3822 0.6876 0.0103 0.033 Uiso 1 1 calc R . .
C34A C 0.3045(5) 0.5654(5) -0.0668(4) 0.0264(15) Uani 1 1 d U . .
H34A H 0.2677 0.5941 -0.1047 0.032 Uiso 1 1 calc R . .
C35A C 0.3424(5) 0.4316(5) -0.0259(4) 0.0222(14) Uani 1 1 d U . .
C36A C 0.3259(5) 0.3329(5) -0.0447(4) 0.0234(14) Uani 1 1 d U . .
S1B S 0.34489(14) 0.25725(12) 0.27634(10) 0.0255(4) Uani 1 1 d U . .
O1B O 0.0856(4) 0.2462(3) 0.2379(3) 0.0258(11) Uani 1 1 d U . .
N1B N 0.2019(4) 0.2165(4) 0.3462(3) 0.0218(12) Uani 1 1 d U . .
C1B C 0.2956(5) 0.2595(5) 0.3496(4) 0.0217(14) Uani 1 1 d U . .
S2B S 0.27332(14) 0.03175(12) 0.23968(10) 0.0231(4) Uani 1 1 d U . .
O2B O 0.4129(4) -0.0364(3) 0.1269(3) 0.0339(13) Uani 1 1 d U . .
N2B N 0.3636(4) 0.3073(4) 0.4184(3) 0.0274(13) Uani 1 1 d U A .
C2B C 0.1077(5) 0.2028(5) 0.2872(4) 0.0219(14) Uani 1 1 d U . .
N3B N 0.4458(5) -0.0004(5) 0.3408(4) 0.0477(17) Uani 1 1 d U . .
C3B C 0.0220(5) 0.1311(5) 0.2890(4) 0.0206(14) Uani 1 1 d U . .
N4B N 0.4864(4) 0.0499(4) 0.2501(4) 0.0312(14) Uani 1 1 d U . .
C4B C 0.0478(5) 0.0613(5) 0.3247(4) 0.0220(15) Uani 1 1 d U . .
H4B H 0.1219 0.0574 0.3482 0.026 Uiso 1 1 calc R . .
N5B N 0.1974(4) 0.2307(4) 0.1056(3) 0.0184(12) Uani 1 1 d U . .
C5B C -0.0318(6) -0.0036(5) 0.3273(4) 0.0271(16) Uani 1 1 d U . .
H5B H -0.0124 -0.0524 0.3510 0.033 Uiso 1 1 calc R . .
N6B N 0.1768(4) 0.0453(4) 0.0705(3) 0.0175(11) Uani 1 1 d U . .
C6B C -0.1401(6) 0.0036(5) 0.2950(4) 0.0302(16) Uani 1 1 d U . .
H6B H -0.1952 -0.0388 0.2983 0.036 Uiso 1 1 calc R . .
C7B C -0.1674(6) 0.0719(5) 0.2584(4) 0.0295(16) Uani 1 1 d U . .
H7B H -0.2416 0.0758 0.2352 0.035 Uiso 1 1 calc R . .
C8B C -0.0873(5) 0.1354(5) 0.2548(4) 0.0287(16) Uani 1 1 d U . .
H8B H -0.1072 0.1822 0.2288 0.034 Uiso 1 1 calc R . .
C9B C 0.3310(6) 0.3147(6) 0.4850(4) 0.0388(19) Uani 1 1 d U . .
C10B C 0.2670(17) 0.3752(14) 0.5042(11) 0.037(5) Uani 0.380(11) 1 d PU A 2
H10D H 0.1928 0.3557 0.4681 0.055 Uiso 0.380(11) 1 calc PR A 2
H10E H 0.2949 0.4382 0.5037 0.055 Uiso 0.380(11) 1 calc PR A 2
H10F H 0.2671 0.3754 0.5545 0.055 Uiso 0.380(11) 1 calc PR A 2
C11B C 0.4753(5) 0.3505(5) 0.4323(4) 0.0322(17) Uani 1 1 d U . .
H11C H 0.4996 0.4023 0.4785 0.039 Uiso 1 1 calc R A .
H11D H 0.4757 0.3776 0.3902 0.039 Uiso 1 1 calc R . .
C12B C 0.5554(6) 0.2818(6) 0.4407(5) 0.047(2) Uani 1 1 d U A .
H12D H 0.5634 0.2616 0.4865 0.070 Uiso 1 1 calc R . .
H12E H 0.6259 0.3123 0.4436 0.070 Uiso 1 1 calc R . .
H12F H 0.5283 0.2274 0.3973 0.070 Uiso 1 1 calc R . .
C13B C 0.4121(6) 0.0283(5) 0.2776(4) 0.0327(17) Uani 1 1 d U . .
C14B C 0.4702(5) 0.0323(5) 0.1762(5) 0.0284(15) Uani 1 1 d U . .
C15B C 0.5452(5) 0.0991(5) 0.1578(4) 0.0292(15) Uani 1 1 d U . .
C16B C 0.5912(6) 0.1875(5) 0.2055(5) 0.0356(17) Uani 1 1 d U . .
H16B H 0.5737 0.2093 0.2492 0.043 Uiso 1 1 calc R . .
C17B C 0.6646(6) 0.2437(6) 0.1872(5) 0.0460(19) Uani 1 1 d U . .
H17D H 0.6978 0.3042 0.2188 0.055 Uiso 1 1 calc R . .
C18B C 0.6887(6) 0.2106(6) 0.1225(5) 0.0439(19) Uani 1 1 d U . .
H18B H 0.7387 0.2486 0.1106 0.053 Uiso 1 1 calc R . .
C19B C 0.6413(6) 0.1250(6) 0.0767(5) 0.0412(18) Uani 1 1 d U . .
H19E H 0.6577 0.1038 0.0325 0.049 Uiso 1 1 calc R . .
C20B C 0.5690(5) 0.0675(6) 0.0933(5) 0.0339(17) Uani 1 1 d U . .
H20B H 0.5363 0.0073 0.0608 0.041 Uiso 1 1 calc R . .
C25B C 0.2097(5) 0.3233(5) 0.1256(4) 0.0213(14) Uani 1 1 d U . .
H21C H 0.2462 0.3556 0.1767 0.026 Uiso 1 1 calc R . .
C26B C 0.1700(5) 0.3740(5) 0.0729(4) 0.0245(15) Uani 1 1 d U . .
H22D H 0.1821 0.4404 0.0883 0.029 Uiso 1 1 calc R . .
C27B C 0.1145(5) 0.3297(5) 0.0000(4) 0.0206(14) Uani 1 1 d U . .
H23C H 0.0885 0.3651 -0.0354 0.025 Uiso 1 1 calc R . .
C28B C 0.0952(5) 0.2315(5) -0.0234(4) 0.0197(13) Uani 1 1 d U . .
C29B C 0.0351(5) 0.1755(5) -0.0970(4) 0.0240(15) Uani 1 1 d U . .
H25B H 0.0002 0.2052 -0.1347 0.029 Uiso 1 1 calc R . .
C30B C 0.0261(5) 0.0814(5) -0.1150(4) 0.0215(14) Uani 1 1 d U . .
H26B H -0.0136 0.0469 -0.1651 0.026 Uiso 1 1 calc R . .
C31B C 0.0749(5) 0.0323(5) -0.0604(4) 0.0215(14) Uani 1 1 d U . .
C32B C 0.0702(5) -0.0655(5) -0.0751(4) 0.0205(14) Uani 1 1 d U . .
H28B H 0.0327 -0.1041 -0.1242 0.025 Uiso 1 1 calc R . .
C33B C 0.1198(5) -0.1040(5) -0.0181(4) 0.0219(14) Uani 1 1 d U . .
H29B H 0.1182 -0.1696 -0.0274 0.026 Uiso 1 1 calc R . .
C34B C 0.1733(5) -0.0460(5) 0.0543(4) 0.0192(14) Uani 1 1 d U . .
H30B H 0.2085 -0.0737 0.0933 0.023 Uiso 1 1 calc R . .
C35B C 0.1303(5) 0.0852(4) 0.0133(4) 0.0176(13) Uani 1 1 d U . .
C36B C 0.1404(5) 0.1841(5) 0.0328(4) 0.0195(13) Uani 1 1 d U . .
C10C C 0.3629(12) 0.2468(10) 0.5209(7) 0.048(4) Uani 0.620(11) 1 d PU A 1
H10G H 0.3415 0.2553 0.5653 0.072 Uiso 0.620(11) 1 calc PR A 1
H10H H 0.4418 0.2511 0.5363 0.072 Uiso 0.620(11) 1 calc PR A 1
H10I H 0.3282 0.1852 0.4869 0.072 Uiso 0.620(11) 1 calc PR A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N6B 2.050(5) . ?
Pt1 N5B 2.059(5) . ?
Pt1 S1B 2.2795(19) . ?
Pt1 S2B 2.2798(19) . ?
Pt2 N5A 2.056(6) . ?
Pt2 N6A 2.063(6) . ?
Pt2 S1A 2.2792(19) . ?
Pt2 S2A 2.2839(19) . ?
O3 H3A 1.000(2) . ?
O3 H3B 1.000(2) . ?
O4 HB 1.000(2) . ?
O4 HA 1.000(2) . ?
C23B N3B 1.472(11) . ?
C23B C24B 1.497(11) . ?
C23B H23A 0.9900 . ?
C23B H23B 0.9900 . ?
C21B N3B 1.511(10) . ?
C21B C22B 1.511(12) . ?
C21B H21A 0.9900 . ?
C21B H21B 0.9900 . ?
C24B H24A 0.9800 . ?
C24B H24B 0.9800 . ?
C24B H24C 0.9800 . ?
C22B H22A 0.9800 . ?
C22B H22B 0.9800 . ?
C22B H22C 0.9800 . ?
S1A C1A 1.740(7) . ?
O1A C2A 1.241(8) . ?
N1A C1A 1.320(8) . ?
N1A C2A 1.333(8) . ?
C1A N2A 1.353(8) . ?
S2A C13A 1.748(7) . ?
O2A C14A 1.238(8) . ?
N2A C11A 1.440(8) . ?
N2A C9A 1.478(9) . ?
C2A C3A 1.493(9) . ?
N3A C13A 1.355(9) . ?
N3A C23A 1.492(8) . ?
N3A C21A 1.518(10) . ?
C3A C8A 1.374(9) . ?
C3A C4A 1.399(9) . ?
N4A C13A 1.318(8) . ?
N4A C14A 1.353(9) . ?
C4A C5A 1.410(9) . ?
C4A H4A 0.9500 . ?
N5A C25A 1.341(8) . ?
N5A C36A 1.349(9) . ?
C5A C6A 1.393(10) . ?
C5A H5A 0.9500 . ?
N6A C34A 1.324(8) . ?
N6A C35A 1.381(8) . ?
C6A C7A 1.380(10) . ?
C6A H6A 0.9500 . ?
C7A C8A 1.396(9) . ?
C7A H7A 0.9500 . ?
C8A H8A 0.9500 . ?
C9A C10A 1.582(11) . ?
C9A H9A1 0.9900 . ?
C9A H9A2 0.9900 . ?
C10A H10A 0.9800 . ?
C10A H10B 0.9800 . ?
C10A H10C 0.9800 . ?
C11A C12A 1.516(10) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12A H12C 0.9800 . ?
C14A C15A 1.522(9) . ?
C15A C20A 1.375(9) . ?
C15A C16A 1.404(9) . ?
C16A C17A 1.393(9) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.397(10) . ?
C17A H17C 0.9500 . ?
C18A C19A 1.364(10) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.388(9) . ?
C19A H19D 0.9500 . ?
C20A H20A 0.9500 . ?
C21A C22A 1.483(11) . ?
C21A H1 0.9900 . ?
C21A H2 0.9900 . ?
C22A H3 0.9800 . ?
C22A H4 0.9800 . ?
C22A H5 0.9800 . ?
C23A C24A 1.509(10) . ?
C23A H6 0.9900 . ?
C23A H7 0.9900 . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
C25A C26A 1.415(10) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.347(10) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.394(10) . ?
C27A H27A 0.9500 . ?
C28A C36A 1.407(9) . ?
C28A C29A 1.439(10) . ?
C29A C30A 1.360(10) . ?
C29A H29A 0.9500 . ?
C30A C31A 1.422(10) . ?
C30A H30A 0.9500 . ?
C31A C35A 1.393(9) . ?
C31A C32A 1.413(10) . ?
C32A C33A 1.371(10) . ?
C32A H32A 0.9500 . ?
C33A C34A 1.387(10) . ?
C33A H33A 0.9500 . ?
C34A H34A 0.9500 . ?
C35A C36A 1.413(9) . ?
S1B C1B 1.745(7) . ?
O1B C2B 1.240(8) . ?
N1B C1B 1.320(8) . ?
N1B C2B 1.360(8) . ?
C1B N2B 1.349(8) . ?
S2B C13B 1.751(7) . ?
O2B C14B 1.233(9) . ?
N2B C11B 1.475(8) . ?
N2B C9B 1.481(9) . ?
C2B C3B 1.504(9) . ?
N3B C13B 1.342(9) . ?
C3B C4B 1.376(9) . ?
C3B C8B 1.395(9) . ?
N4B C13B 1.311(9) . ?
N4B C14B 1.348(9) . ?
C4B C5B 1.389(9) . ?
C4B H4B 0.9500 . ?
N5B C25B 1.326(8) . ?
N5B C36B 1.366(8) . ?
C5B C6B 1.387(9) . ?
C5B H5B 0.9500 . ?
N6B C34B 1.317(8) . ?
N6B C35B 1.370(8) . ?
C6B C7B 1.370(10) . ?
C6B H6B 0.9500 . ?
C7B C8B 1.387(10) . ?
C7B H7B 0.9500 . ?
C8B H8B 0.9500 . ?
C9B C10B 1.36(2) . ?
C9B C10C 1.367(15) . ?
C10B H10D 0.9800 . ?
C10B H10E 0.9800 . ?
C10B H10F 0.9800 . ?
C11B C12B 1.523(10) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C14B C15B 1.523(9) . ?
C15B C20B 1.388(10) . ?
C15B C16B 1.391(10) . ?
C16B C17B 1.409(10) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.395(12) . ?
C17B H17D 0.9500 . ?
C18B C19B 1.351(11) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.389(10) . ?
C19B H19E 0.9500 . ?
C20B H20B 0.9500 . ?
C25B C26B 1.397(9) . ?
C25B H21C 0.9500 . ?
C26B C27B 1.356(9) . ?
C26B H22D 0.9500 . ?
C27B C28B 1.406(9) . ?
C27B H23C 0.9500 . ?
C28B C29B 1.423(9) . ?
C28B C36B 1.427(9) . ?
C29B C30B 1.351(9) . ?
C29B H25B 0.9500 . ?
C30B C31B 1.431(9) . ?
C30B H26B 0.9500 . ?
C31B C35B 1.400(9) . ?
C31B C32B 1.409(9) . ?
C32B C33B 1.363(9) . ?
C32B H28B 0.9500 . ?
C33B C34B 1.403(9) . ?
C33B H29B 0.9500 . ?
C34B H30B 0.9500 . ?
C35B C36B 1.419(9) . ?
C10C H10G 0.9800 . ?
C10C H10H 0.9800 . ?
C10C H10I 0.9800 . ?

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
N6B Pt1 N5B 80.6(2) . . ?
N6B Pt1 S1B 170.56(14) . . ?
N5B Pt1 S1B 94.41(16) . . ?
N6B Pt1 S2B 94.72(16) . . ?
N5B Pt1 S2B 170.30(14) . . ?
S1B Pt1 S2B 91.33(7) . . ?
N5A Pt2 N6A 80.1(2) . . ?
N5A Pt2 S1A 95.49(16) . . ?
N6A Pt2 S1A 171.81(15) . . ?
N5A Pt2 S2A 171.96(15) . . ?
N6A Pt2 S2A 94.85(16) . . ?
S1A Pt2 S2A 90.28(7) . . ?
H3A O3 H3B 108(7) . . ?
HB O4 HA 111(6) . . ?
N3B C23B C24B 115.1(9) . . ?
N3B C23B H23A 108.5 . . ?
C24B C23B H23A 108.5 . . ?
N3B C23B H23B 108.5 . . ?
C24B C23B H23B 108.5 . . ?
H23A C23B H23B 107.5 . . ?
N3B C21B C22B 108.2(8) . . ?
N3B C21B H21A 110.0 . . ?
C22B C21B H21A 110.0 . . ?
N3B C21B H21B 110.0 . . ?
C22B C21B H21B 110.0 . . ?
H21A C21B H21B 108.4 . . ?
C23B C24B H24A 109.5 . . ?
C23B C24B H24B 109.5 . . ?
H24A C24B H24B 109.5 . . ?
C23B C24B H24C 109.5 . . ?
H24A C24B H24C 109.5 . . ?
H24B C24B H24C 109.5 . . ?
C21B C22B H22A 109.5 . . ?
C21B C22B H22B 109.5 . . ?
H22A C22B H22B 109.5 . . ?
C21B C22B H22C 109.5 . . ?
H22A C22B H22C 109.5 . . ?
H22B C22B H22C 109.5 . . ?
C1A S1A Pt2 107.8(2) . . ?
C1A N1A C2A 125.2(6) . . ?
N1A C1A N2A 117.1(6) . . ?
N1A C1A S1A 126.0(5) . . ?
N2A C1A S1A 116.9(5) . . ?
C13A S2A Pt2 111.7(2) . . ?
C1A N2A C11A 124.5(6) . . ?
C1A N2A C9A 118.8(6) . . ?
C11A N2A C9A 116.6(6) . . ?
O1A C2A N1A 125.8(6) . . ?
O1A C2A C3A 119.6(6) . . ?
N1A C2A C3A 114.3(6) . . ?
C13A N3A C23A 118.6(6) . . ?
C13A N3A C21A 124.2(6) . . ?
C23A N3A C21A 116.9(6) . . ?
C8A C3A C4A 118.5(6) . . ?
C8A C3A C2A 122.1(6) . . ?
C4A C3A C2A 119.3(6) . . ?
C13A N4A C14A 124.2(6) . . ?
C3A C4A C5A 121.2(6) . . ?
C3A C4A H4A 119.4 . . ?
C5A C4A H4A 119.4 . . ?
C25A N5A C36A 118.9(6) . . ?
C25A N5A Pt2 127.5(5) . . ?
C36A N5A Pt2 113.5(4) . . ?
C6A C5A C4A 118.7(7) . . ?
C6A C5A H5A 120.6 . . ?
C4A C5A H5A 120.6 . . ?
C34A N6A C35A 118.8(6) . . ?
C34A N6A Pt2 128.9(5) . . ?
C35A N6A Pt2 112.2(4) . . ?
C7A C6A C5A 119.9(6) . . ?
C7A C6A H6A 120.1 . . ?
C5A C6A H6A 120.1 . . ?
C6A C7A C8A 120.7(7) . . ?
C6A C7A H7A 119.7 . . ?
C8A C7A H7A 119.7 . . ?
C3A C8A C7A 120.9(7) . . ?
C3A C8A H8A 119.6 . . ?
C7A C8A H8A 119.6 . . ?
N2A C9A C10A 109.7(6) . . ?
N2A C9A H9A1 109.7 . . ?
C10A C9A H9A1 109.7 . . ?
N2A C9A H9A2 109.7 . . ?
C10A C9A H9A2 109.7 . . ?
H9A1 C9A H9A2 108.2 . . ?
C9A C10A H10A 109.5 . . ?
C9A C10A H10B 109.5 . . ?
H10A C10A H10B 109.5 . . ?
C9A C10A H10C 109.5 . . ?
H10A C10A H10C 109.5 . . ?
H10B C10A H10C 109.5 . . ?
N2A C11A C12A 112.3(6) . . ?
N2A C11A H11A 109.1 . . ?
C12A C11A H11A 109.1 . . ?
N2A C11A H11B 109.1 . . ?
C12A C11A H11B 109.1 . . ?
H11A C11A H11B 107.9 . . ?
C11A C12A H12A 109.5 . . ?
C11A C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C11A C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
N4A C13A N3A 116.6(6) . . ?
N4A C13A S2A 128.0(6) . . ?
N3A C13A S2A 115.3(5) . . ?
O2A C14A N4A 127.8(6) . . ?
O2A C14A C15A 118.5(6) . . ?
N4A C14A C15A 113.4(6) . . ?
C20A C15A C16A 120.1(6) . . ?
C20A C15A C14A 119.7(6) . . ?
C16A C15A C14A 120.2(6) . . ?
C17A C16A C15A 119.0(7) . . ?
C17A C16A H16A 120.5 . . ?
C15A C16A H16A 120.5 . . ?
C16A C17A C18A 120.3(7) . . ?
C16A C17A H17C 119.8 . . ?
C18A C17A H17C 119.8 . . ?
C19A C18A C17A 119.5(7) . . ?
C19A C18A H18A 120.3 . . ?
C17A C18A H18A 120.3 . . ?
C18A C19A C20A 121.1(7) . . ?
C18A C19A H19D 119.4 . . ?
C20A C19A H19D 119.4 . . ?
C15A C20A C19A 119.9(7) . . ?
C15A C20A H20A 120.0 . . ?
C19A C20A H20A 120.0 . . ?
C22A C21A N3A 109.2(7) . . ?
C22A C21A H1 109.8 . . ?
N3A C21A H1 109.8 . . ?
C22A C21A H2 109.8 . . ?
N3A C21A H2 109.8 . . ?
H1 C21A H2 108.3 . . ?
C21A C22A H3 109.5 . . ?
C21A C22A H4 109.5 . . ?
H3 C22A H4 109.5 . . ?
C21A C22A H5 109.5 . . ?
H3 C22A H5 109.5 . . ?
H4 C22A H5 109.5 . . ?
N3A C23A C24A 112.7(6) . . ?
N3A C23A H6 109.0 . . ?
C24A C23A H6 109.0 . . ?
N3A C23A H7 109.0 . . ?
C24A C23A H7 109.0 . . ?
H6 C23A H7 107.8 . . ?
C23A C24A H24D 109.5 . . ?
C23A C24A H24E 109.5 . . ?
H24D C24A H24E 109.5 . . ?
C23A C24A H24F 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
N5A C25A C26A 120.6(7) . . ?
N5A C25A H25A 119.7 . . ?
C26A C25A H25A 119.7 . . ?
C27A C26A C25A 120.2(7) . . ?
C27A C26A H26A 119.9 . . ?
C25A C26A H26A 119.9 . . ?
C26A C27A C28A 120.2(7) . . ?
C26A C27A H27A 119.9 . . ?
C28A C27A H27A 119.9 . . ?
C27A C28A C36A 117.2(7) . . ?
C27A C28A C29A 124.9(7) . . ?
C36A C28A C29A 117.9(7) . . ?
C30A C29A C28A 120.8(7) . . ?
C30A C29A H29A 119.6 . . ?
C28A C29A H29A 119.6 . . ?
C29A C30A C31A 121.8(7) . . ?
C29A C30A H30A 119.1 . . ?
C31A C30A H30A 119.1 . . ?
C35A C31A C32A 118.2(7) . . ?
C35A C31A C30A 117.8(7) . . ?
C32A C31A C30A 124.0(7) . . ?
C33A C32A C31A 118.5(7) . . ?
C33A C32A H32A 120.8 . . ?
C31A C32A H32A 120.8 . . ?
C32A C33A C34A 120.7(7) . . ?
C32A C33A H33A 119.7 . . ?
C34A C33A H33A 119.7 . . ?
N6A C34A C33A 122.0(7) . . ?
N6A C34A H34A 119.0 . . ?
C33A C34A H34A 119.0 . . ?
N6A C35A C31A 121.8(6) . . ?
N6A C35A C36A 116.7(6) . . ?
C31A C35A C36A 121.5(7) . . ?
N5A C36A C28A 122.8(6) . . ?
N5A C36A C35A 117.1(6) . . ?
C28A C36A C35A 120.1(7) . . ?
C1B S1B Pt1 112.2(2) . . ?
C1B N1B C2B 124.4(6) . . ?
N1B C1B N2B 116.2(6) . . ?
N1B C1B S1B 127.7(5) . . ?
N2B C1B S1B 116.0(5) . . ?
C13B S2B Pt1 109.5(2) . . ?
C1B N2B C11B 122.4(6) . . ?
C1B N2B C9B 121.1(6) . . ?
C11B N2B C9B 116.4(6) . . ?
O1B C2B N1B 127.3(6) . . ?
O1B C2B C3B 119.9(6) . . ?
N1B C2B C3B 112.6(6) . . ?
C13B N3B C23B 121.5(7) . . ?
C13B N3B C21B 120.0(7) . . ?
C23B N3B C21B 118.2(6) . . ?
C4B C3B C8B 118.2(6) . . ?
C4B C3B C2B 122.0(6) . . ?
C8B C3B C2B 119.8(6) . . ?
C13B N4B C14B 124.3(6) . . ?
C3B C4B C5B 121.6(6) . . ?
C3B C4B H4B 119.2 . . ?
C5B C4B H4B 119.2 . . ?
C25B N5B C36B 119.3(6) . . ?
C25B N5B Pt1 128.5(5) . . ?
C36B N5B Pt1 112.2(4) . . ?
C6B C5B C4B 119.3(7) . . ?
C6B C5B H5B 120.3 . . ?
C4B C5B H5B 120.3 . . ?
C34B N6B C35B 118.2(6) . . ?
C34B N6B Pt1 128.6(5) . . ?
C35B N6B Pt1 113.2(4) . . ?
C7B C6B C5B 119.8(7) . . ?
C7B C6B H6B 120.1 . . ?
C5B C6B H6B 120.1 . . ?
C6B C7B C8B 120.5(7) . . ?
C6B C7B H7B 119.8 . . ?
C8B C7B H7B 119.8 . . ?
C7B C8B C3B 120.5(7) . . ?
C7B C8B H8B 119.7 . . ?
C3B C8B H8B 119.7 . . ?
C10B C9B C10C 123.2(12) . . ?
C10B C9B N2B 124.3(11) . . ?
C10C C9B N2B 112.2(8) . . ?
C9B C10B H10D 109.5 . . ?
C9B C10B H10E 109.5 . . ?
H10D C10B H10E 109.5 . . ?
C9B C10B H10F 109.5 . . ?
H10D C10B H10F 109.5 . . ?
H10E C10B H10F 109.5 . . ?
N2B C11B C12B 113.1(6) . . ?
N2B C11B H11C 109.0 . . ?
C12B C11B H11C 109.0 . . ?
N2B C11B H11D 109.0 . . ?
C12B C11B H11D 109.0 . . ?
H11C C11B H11D 107.8 . . ?
C11B C12B H12D 109.5 . . ?
C11B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C11B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
N4B C13B N3B 116.6(7) . . ?
N4B C13B S2B 126.5(6) . . ?
N3B C13B S2B 116.9(6) . . ?
O2B C14B N4B 126.6(7) . . ?
O2B C14B C15B 119.6(7) . . ?
N4B C14B C15B 113.2(7) . . ?
C20B C15B C16B 121.3(7) . . ?
C20B C15B C14B 117.7(7) . . ?
C16B C15B C14B 121.0(7) . . ?
C15B C16B C17B 118.0(8) . . ?
C15B C16B H16B 121.0 . . ?
C17B C16B H16B 121.0 . . ?
C18B C17B C16B 120.1(8) . . ?
C18B C17B H17D 120.0 . . ?
C16B C17B H17D 120.0 . . ?
C19B C18B C17B 120.5(8) . . ?
C19B C18B H18B 119.8 . . ?
C17B C18B H18B 119.8 . . ?
C18B C19B C20B 121.0(8) . . ?
C18B C19B H19E 119.5 . . ?
C20B C19B H19E 119.5 . . ?
C15B C20B C19B 119.1(8) . . ?
C15B C20B H20B 120.4 . . ?
C19B C20B H20B 120.4 . . ?
N5B C25B C26B 121.2(7) . . ?
N5B C25B H21C 119.4 . . ?
C26B C25B H21C 119.4 . . ?
C27B C26B C25B 120.8(7) . . ?
C27B C26B H22D 119.6 . . ?
C25B C26B H22D 119.6 . . ?
C26B C27B C28B 120.2(6) . . ?
C26B C27B H23C 119.9 . . ?
C28B C27B H23C 119.9 . . ?
C27B C28B C29B 126.5(6) . . ?
C27B C28B C36B 116.2(6) . . ?
C29B C28B C36B 117.3(6) . . ?
C30B C29B C28B 122.1(7) . . ?
C30B C29B H25B 118.9 . . ?
C28B C29B H25B 118.9 . . ?
C29B C30B C31B 121.6(7) . . ?
C29B C30B H26B 119.2 . . ?
C31B C30B H26B 119.2 . . ?
C35B C31B C32B 117.5(6) . . ?
C35B C31B C30B 117.6(6) . . ?
C32B C31B C30B 124.9(6) . . ?
C33B C32B C31B 119.3(7) . . ?
C33B C32B H28B 120.3 . . ?
C31B C32B H28B 120.3 . . ?
C32B C33B C34B 119.6(7) . . ?
C32B C33B H29B 120.2 . . ?
C34B C33B H29B 120.2 . . ?
N6B C34B C33B 122.7(6) . . ?
N6B C34B H30B 118.6 . . ?
C33B C34B H30B 118.6 . . ?
N6B C35B C31B 122.5(6) . . ?
N6B C35B C36B 116.2(6) . . ?
C31B C35B C36B 121.3(6) . . ?
N5B C36B C35B 117.7(6) . . ?
N5B C36B C28B 122.3(6) . . ?
C35B C36B C28B 120.0(6) . . ?
C9B C10C H10G 109.5 . . ?
C9B C10C H10H 109.5 . . ?
C9B C10C H10I 109.5 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5A Pt2 S1A C1A -108.3(3) . . . . ?
S2A Pt2 S1A C1A 66.1(2) . . . . ?
C2A N1A C1A N2A -137.1(7) . . . . ?
C2A N1A C1A S1A 45.5(10) . . . . ?
Pt2 S1A C1A N1A 14.4(7) . . . . ?
Pt2 S1A C1A N2A -163.1(5) . . . . ?
N6A Pt2 S2A C13A -116.9(3) . . . . ?
S1A Pt2 S2A C13A 56.7(3) . . . . ?
N1A C1A N2A C11A -162.8(6) . . . . ?
S1A C1A N2A C11A 14.8(9) . . . . ?
N1A C1A N2A C9A 11.5(9) . . . . ?
S1A C1A N2A C9A -170.8(5) . . . . ?
C1A N1A C2A O1A 30.7(11) . . . . ?
C1A N1A C2A C3A -156.1(6) . . . . ?
O1A C2A C3A C8A 20.9(10) . . . . ?
N1A C2A C3A C8A -152.8(7) . . . . ?
O1A C2A C3A C4A -161.9(7) . . . . ?
N1A C2A C3A C4A 24.4(9) . . . . ?
C8A C3A C4A C5A 0.5(11) . . . . ?
C2A C3A C4A C5A -176.8(7) . . . . ?
N6A Pt2 N5A C25A -175.7(6) . . . . ?
S1A Pt2 N5A C25A 11.2(5) . . . . ?
N6A Pt2 N5A C36A 4.6(4) . . . . ?
S1A Pt2 N5A C36A -168.4(4) . . . . ?
C3A C4A C5A C6A 0.8(11) . . . . ?
N5A Pt2 N6A C34A 178.3(6) . . . . ?
S2A Pt2 N6A C34A 4.6(5) . . . . ?
N5A Pt2 N6A C35A -4.7(4) . . . . ?
S2A Pt2 N6A C35A -178.4(4) . . . . ?
C4A C5A C6A C7A -0.1(11) . . . . ?
C5A C6A C7A C8A -1.8(11) . . . . ?
C4A C3A C8A C7A -2.5(11) . . . . ?
C2A C3A C8A C7A 174.7(7) . . . . ?
C6A C7A C8A C3A 3.2(11) . . . . ?
C1A N2A C9A C10A 72.5(8) . . . . ?
C11A N2A C9A C10A -112.6(7) . . . . ?
C1A N2A C11A C12A 91.9(9) . . . . ?
C9A N2A C11A C12A -82.6(9) . . . . ?
C14A N4A C13A N3A -151.0(7) . . . . ?
C14A N4A C13A S2A 33.2(10) . . . . ?
C23A N3A C13A N4A 16.9(9) . . . . ?
C21A N3A C13A N4A -157.1(6) . . . . ?
C23A N3A C13A S2A -166.7(5) . . . . ?
C21A N3A C13A S2A 19.3(9) . . . . ?
Pt2 S2A C13A N4A 18.6(7) . . . . ?
Pt2 S2A C13A N3A -157.3(4) . . . . ?
C13A N4A C14A O2A 29.1(11) . . . . ?
C13A N4A C14A C15A -156.9(6) . . . . ?
O2A C14A C15A C20A 13.9(9) . . . . ?
N4A C14A C15A C20A -160.7(6) . . . . ?
O2A C14A C15A C16A -166.8(6) . . . . ?
N4A C14A C15A C16A 18.5(9) . . . . ?
C20A C15A C16A C17A -0.5(9) . . . . ?
C14A C15A C16A C17A -179.8(6) . . . . ?
C15A C16A C17A C18A 0.2(10) . . . . ?
C16A C17A C18A C19A -0.9(10) . . . . ?
C17A C18A C19A C20A 2.1(10) . . . . ?
C16A C15A C20A C19A 1.6(9) . . . . ?
C14A C15A C20A C19A -179.1(6) . . . . ?
C18A C19A C20A C15A -2.4(10) . . . . ?
C13A N3A C21A C22A -99.8(8) . . . . ?
C23A N3A C21A C22A 86.1(8) . . . . ?
C13A N3A C23A C24A -92.1(8) . . . . ?
C21A N3A C23A C24A 82.3(8) . . . . ?
C36A N5A C25A C26A 2.6(9) . . . . ?
Pt2 N5A C25A C26A -177.1(4) . . . . ?
N5A C25A C26A C27A -0.3(10) . . . . ?
C25A C26A C27A C28A -0.7(10) . . . . ?
C26A C27A C28A C36A -0.4(9) . . . . ?
C26A C27A C28A C29A -178.4(6) . . . . ?
C27A C28A C29A C30A 178.1(6) . . . . ?
C36A C28A C29A C30A 0.1(9) . . . . ?
C28A C29A C30A C31A -1.7(10) . . . . ?
C29A C30A C31A C35A 2.5(9) . . . . ?
C29A C30A C31A C32A -176.7(6) . . . . ?
C35A C31A C32A C33A 1.5(9) . . . . ?
C30A C31A C32A C33A -179.3(6) . . . . ?
C31A C32A C33A C34A 0.3(10) . . . . ?
C35A N6A C34A C33A 0.6(9) . . . . ?
Pt2 N6A C34A C33A 177.4(5) . . . . ?
C32A C33A C34A N6A -1.4(10) . . . . ?
C34A N6A C35A C31A 1.3(9) . . . . ?
Pt2 N6A C35A C31A -176.1(5) . . . . ?
C34A N6A C35A C36A -178.5(6) . . . . ?
Pt2 N6A C35A C36A 4.1(7) . . . . ?
C32A C31A C35A N6A -2.3(9) . . . . ?
C30A C31A C35A N6A 178.5(5) . . . . ?
C32A C31A C35A C36A 177.5(6) . . . . ?
C30A C31A C35A C36A -1.8(9) . . . . ?
C25A N5A C36A C28A -3.8(9) . . . . ?
Pt2 N5A C36A C28A 175.8(5) . . . . ?
C25A N5A C36A C35A 176.5(6) . . . . ?
Pt2 N5A C36A C35A -3.8(7) . . . . ?
C27A C28A C36A N5A 2.7(9) . . . . ?
C29A C28A C36A N5A -179.1(6) . . . . ?
C27A C28A C36A C35A -177.6(6) . . . . ?
C29A C28A C36A C35A 0.6(9) . . . . ?
N6A C35A C36A N5A -0.3(8) . . . . ?
C31A C35A C36A N5A 180.0(6) . . . . ?
N6A C35A C36A C28A -179.9(6) . . . . ?
C31A C35A C36A C28A 0.3(9) . . . . ?
N5B Pt1 S1B C1B 118.2(3) . . . . ?
S2B Pt1 S1B C1B -54.0(3) . . . . ?
C2B N1B C1B N2B 148.3(6) . . . . ?
C2B N1B C1B S1B -35.2(10) . . . . ?
Pt1 S1B C1B N1B -14.1(7) . . . . ?
Pt1 S1B C1B N2B 162.4(4) . . . . ?
N6B Pt1 S2B C13B 111.0(3) . . . . ?
S1B Pt1 S2B C13B -61.7(3) . . . . ?
N1B C1B N2B C11B 173.4(6) . . . . ?
S1B C1B N2B C11B -3.5(9) . . . . ?
N1B C1B N2B C9B -3.4(10) . . . . ?
S1B C1B N2B C9B 179.7(5) . . . . ?
C1B N1B C2B O1B -20.0(11) . . . . ?
C1B N1B C2B C3B 164.8(6) . . . . ?
C24B C23B N3B C13B 99.7(10) . . . . ?
C24B C23B N3B C21B -86.9(9) . . . . ?
C22B C21B N3B C13B 84.4(10) . . . . ?
C22B C21B N3B C23B -89.1(9) . . . . ?
O1B C2B C3B C4B 158.6(6) . . . . ?
N1B C2B C3B C4B -25.8(9) . . . . ?
O1B C2B C3B C8B -22.5(10) . . . . ?
N1B C2B C3B C8B 153.1(6) . . . . ?
C8B C3B C4B C5B -0.1(10) . . . . ?
C2B C3B C4B C5B 178.8(6) . . . . ?
N6B Pt1 N5B C25B -179.9(5) . . . . ?
N6B Pt1 N5B C36B 3.3(4) . . . . ?
S1B Pt1 N5B C36B 175.2(4) . . . . ?
C3B C4B C5B C6B -1.9(11) . . . . ?
N5B Pt1 N6B C34B 175.7(5) . . . . ?
S2B Pt1 N6B C34B -12.9(5) . . . . ?
N5B Pt1 N6B C35B -2.4(4) . . . . ?
S2B Pt1 N6B C35B 169.0(4) . . . . ?
C4B C5B C6B C7B 2.7(11) . . . . ?
C5B C6B C7B C8B -1.5(11) . . . . ?
C6B C7B C8B C3B -0.6(11) . . . . ?
C4B C3B C8B C7B 1.3(11) . . . . ?
C2B C3B C8B C7B -177.6(6) . . . . ?
C1B N2B C9B C10B -79.8(15) . . . . ?
C11B N2B C9B C10B 103.2(14) . . . . ?
C1B N2B C9B C10C 93.6(10) . . . . ?
C11B N2B C9B C10C -83.4(10) . . . . ?
C1B N2B C11B C12B -82.5(9) . . . . ?
C9B N2B C11B C12B 94.5(8) . . . . ?
C14B N4B C13B N3B 143.2(8) . . . . ?
C14B N4B C13B S2B -35.9(11) . . . . ?
C23B N3B C13B N4B 154.6(8) . . . . ?
C21B N3B C13B N4B -18.7(11) . . . . ?
C23B N3B C13B S2B -26.2(11) . . . . ?
C21B N3B C13B S2B 160.5(6) . . . . ?
Pt1 S2B C13B N4B -27.5(8) . . . . ?
Pt1 S2B C13B N3B 153.4(6) . . . . ?
C13B N4B C14B O2B -35.6(11) . . . . ?
C13B N4B C14B C15B 153.9(7) . . . . ?
O2B C14B C15B C20B -17.5(9) . . . . ?
N4B C14B C15B C20B 153.8(6) . . . . ?
O2B C14B C15B C16B 164.8(7) . . . . ?
N4B C14B C15B C16B -23.9(9) . . . . ?
C20B C15B C16B C17B -1.1(10) . . . . ?
C14B C15B C16B C17B 176.5(6) . . . . ?
C15B C16B C17B C18B 0.4(11) . . . . ?
C16B C17B C18B C19B 0.6(12) . . . . ?
C17B C18B C19B C20B -0.9(12) . . . . ?
C16B C15B C20B C19B 0.8(10) . . . . ?
C14B C15B C20B C19B -176.9(6) . . . . ?
C18B C19B C20B C15B 0.2(11) . . . . ?
C36B N5B C25B C26B -3.1(9) . . . . ?
Pt1 N5B C25B C26B -179.8(4) . . . . ?
N5B C25B C26B C27B 2.2(10) . . . . ?
C25B C26B C27B C28B 0.6(10) . . . . ?
C26B C27B C28B C29B 177.5(6) . . . . ?
C26B C27B C28B C36B -2.2(9) . . . . ?
C27B C28B C29B C30B 176.3(6) . . . . ?
C36B C28B C29B C30B -4.1(9) . . . . ?
C28B C29B C30B C31B 1.3(10) . . . . ?
C29B C30B C31B C35B 1.7(9) . . . . ?
C29B C30B C31B C32B -179.2(6) . . . . ?
C35B C31B C32B C33B -0.7(9) . . . . ?
C30B C31B C32B C33B -179.8(6) . . . . ?
C31B C32B C33B C34B 1.0(9) . . . . ?
C35B N6B C34B C33B -3.1(9) . . . . ?
Pt1 N6B C34B C33B 178.9(4) . . . . ?
C32B C33B C34B N6B 1.0(9) . . . . ?
C34B N6B C35B C31B 3.4(9) . . . . ?
Pt1 N6B C35B C31B -178.3(5) . . . . ?
C34B N6B C35B C36B -177.2(5) . . . . ?
Pt1 N6B C35B C36B 1.1(7) . . . . ?
C32B C31B C35B N6B -1.5(9) . . . . ?
C30B C31B C35B N6B 177.7(5) . . . . ?
C32B C31B C35B C36B 179.1(5) . . . . ?
C30B C31B C35B C36B -1.7(9) . . . . ?
C25B N5B C36B C35B 179.1(5) . . . . ?
Pt1 N5B C36B C35B -3.7(7) . . . . ?
C25B N5B C36B C28B 1.4(9) . . . . ?
Pt1 N5B C36B C28B 178.6(4) . . . . ?
N6B C35B C36B N5B 1.8(8) . . . . ?
C31B C35B C36B N5B -178.8(6) . . . . ?
N6B C35B C36B C28B 179.5(5) . . . . ?
C31B C35B C36B C28B -1.1(9) . . . . ?
C27B C28B C36B N5B 1.2(9) . . . . ?
C29B C28B C36B N5B -178.5(6) . . . . ?
C27B C28B C36B C35B -176.4(6) . . . . ?
C29B C28B C36B C35B 3.9(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.367
_refine_diff_density_min         -2.063
_refine_diff_density_rms         0.159

