#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:58:11 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178675 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/86/4078695.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_4078695
loop_
_publ_author_name
'Chellan, Prinessa'
'Land, Kirkwood M.'
'Shokar, Ajit'
'Au, Aaron'
'An, Seung Hwan'
'Clavel, Catherine M.'
'Dyson, Paul J.'
'Kock, Carmen de'
'Smith, Peter J.'
'Chibale, Kelly'
'Smith, Gregory S.'
_publ_section_title
;
 Exploring the Versatility of Cycloplatinated Thiosemicarbazones as
 Antitumor and Antiparasitic Agents
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              5791
_journal_paper_doi               10.1021/om300334z
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C36 H28 Cl8 N12 Pt4 S4, 3(C2 H6 O S)'
_chemical_formula_sum            'C42 H46 Cl8 N12 O3 Pt4 S7'
_chemical_formula_weight         2055.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 111.9020(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.7265(6)
_cell_length_b                   30.6788(14)
_cell_length_c                   14.2547(6)
_cell_measurement_reflns_used    67775
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      1.63
_cell_volume                     5975.3(4)
_computing_cell_refinement
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_data_collection
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_data_reduction
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa Duo Apex II Diffractometer'
_diffrn_measurement_method       '0.5° φ scans and ω 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  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            67775
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count n/a
_diffrn_standards_interval_time  n/a
_diffrn_standards_number         n/a
_exptl_absorpt_coefficient_mu    9.987
_exptl_absorpt_correction_T_max  0.6351
_exptl_absorpt_correction_T_min  0.3353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.285
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3864
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.839
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         7432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0204
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0166P)²+32.4440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0454
_refine_ls_wR_factor_ref         0.0485
_reflns_number_gt                6579
_reflns_number_total             7432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300334z_si_002.cif
_cod_data_source_block           pc46
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4078695
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
S1 S 0.84471(8) 0.28014(3) 0.10678(8) 0.0335(2) Uani 1 1 d .
S2 S 0.54172(18) 0.40966(8) -0.2043(2) 0.0458(5) Uani 0.50 1 d P
O1 O 0.8549(2) 0.27409(10) 0.2149(2) 0.0393(7) Uani 1 1 d .
O2 O 0.5000 0.36318(19) -0.2500 0.0689(15) Uiso 1 2 d S
C1 C 0.9055(4) 0.33026(15) 0.1053(4) 0.0486(12) Uani 1 1 d .
H1E H 0.8665 0.3546 0.1146 0.073 Uiso 1 1 calc R
H1D H 0.9134 0.3334 0.0404 0.073 Uiso 1 1 calc R
H1C H 0.9700 0.3303 0.1602 0.073 Uiso 1 1 calc R
C2 C 0.9314(3) 0.24407(14) 0.0892(3) 0.0377(9) Uani 1 1 d .
H2E H 0.9089 0.2139 0.0880 0.057 Uiso 1 1 calc R
H2D H 0.9948 0.2476 0.1448 0.057 Uiso 1 1 calc R
H2C H 0.9384 0.2507 0.0249 0.057 Uiso 1 1 calc R
C3 C 0.4685(8) 0.4344(3) -0.1624(8) 0.121(3) Uiso 1 1 d .
Pt1A Pt 0.625118(10) 0.237460(4) 0.312806(10) 0.02077(4) Uani 1 1 d .
Cl1A Cl 0.65122(9) 0.37194(4) 0.04006(9) 0.0466(3) Uani 1 1 d .
Cl2A Cl 0.62787(12) 0.44278(4) 0.19179(12) 0.0652(4) Uani 1 1 d .
S1A S 0.63536(6) 0.17773(3) 0.41572(6) 0.02254(16) Uani 1 1 d .
N1A N 0.6219(2) 0.27141(9) 0.4310(2) 0.0238(6) Uani 1 1 d .
N2A N 0.6251(2) 0.25187(10) 0.5201(2) 0.0270(6) Uani 1 1 d .
N3A N 0.6361(2) 0.18685(11) 0.6012(2) 0.0315(7) Uani 1 1 d .
H3A1 H 0.6362 0.2003 0.6557 0.038 Uiso 1 1 calc R
H3A2 H 0.6398 0.1582 0.6005 0.038 Uiso 1 1 calc R
C1A C 0.6251(3) 0.29799(11) 0.2600(3) 0.0244(7) Uani 1 1 d .
C2A C 0.6352(3) 0.31212(12) 0.1713(3) 0.0283(8) Uani 1 1 d .
H2A H 0.6405 0.2913 0.1242 0.034 Uiso 1 1 calc R
C3A C 0.6375(3) 0.35663(13) 0.1514(3) 0.0344(9) Uani 1 1 d .
C4A C 0.6295(3) 0.38756(12) 0.2184(4) 0.0382(10) Uani 1 1 d .
C5A C 0.6210(3) 0.37470(12) 0.3083(3) 0.0355(9) Uani 1 1 d .
H5A H 0.6161 0.3958 0.3548 0.043 Uiso 1 1 calc R
C6A C 0.6196(3) 0.33017(12) 0.3292(3) 0.0280(8) Uani 1 1 d .
C7A C 0.6160(3) 0.31388(11) 0.4237(3) 0.0264(7) Uani 1 1 d .
C8A C 0.6066(3) 0.34184(12) 0.5056(3) 0.0327(8) Uani 1 1 d .
H8A1 H 0.5582 0.3290 0.5296 0.049 Uiso 1 1 calc R
H8A2 H 0.5854 0.3711 0.4791 0.049 Uiso 1 1 calc R
H8A3 H 0.6701 0.3436 0.5619 0.049 Uiso 1 1 calc R
C9A C 0.6305(3) 0.20981(12) 0.5195(3) 0.0244(7) Uani 1 1 d .
Pt1B Pt 0.489063(10) 0.140905(4) 0.362500(10) 0.02079(4) Uani 1 1 d .
Cl1B Cl 0.80352(10) 0.01501(4) 0.49549(11) 0.0560(3) Uani 1 1 d .
Cl2B Cl 0.64389(13) -0.06000(4) 0.43489(13) 0.0711(4) Uani 1 1 d .
S1B S 0.37831(7) 0.19942(3) 0.32867(6) 0.02236(16) Uani 1 1 d .
N1B N 0.3686(2) 0.10428(9) 0.3212(2) 0.0261(6) Uani 1 1 d .
N2B N 0.2753(2) 0.12164(10) 0.2897(2) 0.0291(7) Uani 1 1 d .
N3B N 0.1859(2) 0.18381(11) 0.2635(3) 0.0333(7) Uani 1 1 d .
H3B1 H 0.1319 0.1683 0.2470 0.040 Uiso 1 1 calc R
H3B2 H 0.1829 0.2125 0.2630 0.040 Uiso 1 1 calc R
C1B C 0.5527(3) 0.08226(12) 0.3908(3) 0.0297(8) Uani 1 1 d .
C2B C 0.6508(3) 0.07068(12) 0.4308(3) 0.0338(9) Uani 1 1 d .
H2B H 0.6993 0.0928 0.4490 0.041 Uiso 1 1 calc R
C3B C 0.6793(4) 0.02687(14) 0.4449(4) 0.0415(10) Uani 1 1 d .
C4B C 0.6099(4) -0.00572(13) 0.4190(4) 0.0459(11) Uani 1 1 d .
C5B C 0.5111(4) 0.00481(13) 0.3802(4) 0.0441(11) Uani 1 1 d .
H5B H 0.4633 -0.0177 0.3634 0.053 Uiso 1 1 calc R
C6B C 0.4821(3) 0.04833(12) 0.3657(3) 0.0335(9) Uani 1 1 d .
C7B C 0.3798(3) 0.06213(12) 0.3269(3) 0.0334(9) Uani 1 1 d .
C8B C 0.2952(4) 0.03151(14) 0.2976(4) 0.0482(12) Uani 1 1 d .
H8B1 H 0.2646 0.0328 0.3480 0.072 Uiso 1 1 calc R
H8B2 H 0.3182 0.0018 0.2944 0.072 Uiso 1 1 calc R
H8B3 H 0.2472 0.0398 0.2313 0.072 Uiso 1 1 calc R
C9B C 0.2720(3) 0.16398(12) 0.2892(3) 0.0249(7) Uani 1 1 d .
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'
S S 0.1246 0.1234 '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'
Pt Pt -1.7033 8.3905 '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'
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
O1 S1 C2 105.42(19) . .
O1 S1 C1 105.1(2) . .
C2 S1 C1 98.3(2) . .
S2 S2 O2 63.55(13) 2_654 .
S2 S2 C3 82.5(4) 2_654 .
O2 S2 C3 111.5(4) . .
S2 S2 C3 52.7(3) 2_654 2_654
O2 S2 C3 94.0(3) . 2_654
C3 S2 C3 110.6(6) . 2_654
S2 O2 S2 52.9(3) . 2_654
S1 C1 H1E 109.5 . .
S1 C1 H1D 109.5 . .
H1E C1 H1D 109.5 . .
S1 C1 H1C 109.5 . .
H1E C1 H1C 109.5 . .
H1D C1 H1C 109.5 . .
S1 C2 H2E 109.5 . .
S1 C2 H2D 109.5 . .
H2E C2 H2D 109.5 . .
S1 C2 H2C 109.5 . .
H2E C2 H2C 109.5 . .
H2D C2 H2C 109.5 . .
S2 C3 S2 44.7(3) . 2_654
N1A Pt1A C1A 80.61(13) . .
N1A Pt1A S1B 177.32(9) . 2_655
C1A Pt1A S1B 98.21(11) . 2_655
N1A Pt1A S1A 83.97(9) . .
C1A Pt1A S1A 164.12(11) . .
S1B Pt1A S1A 97.36(3) 2_655 .
C9A S1A Pt1B 102.72(12) . .
C9A S1A Pt1A 94.30(12) . .
Pt1B S1A Pt1A 110.39(4) . .
C7A N1A N2A 118.7(3) . .
C7A N1A Pt1A 118.4(3) . .
N2A N1A Pt1A 122.9(2) . .
C9A N2A N1A 113.9(3) . .
C9A N3A H3A1 120.0 . .
C9A N3A H3A2 120.0 . .
H3A1 N3A H3A2 120.0 . .
C2A C1A C6A 117.8(3) . .
C2A C1A Pt1A 130.0(3) . .
C6A C1A Pt1A 112.0(3) . .
C1A C2A C3A 120.5(4) . .
C1A C2A H2A 119.8 . .
C3A C2A H2A 119.8 . .
C4A C3A C2A 120.9(4) . .
C4A C3A Cl1A 121.0(3) . .
C2A C3A Cl1A 118.1(3) . .
C3A C4A C5A 120.2(4) . .
C3A C4A Cl2A 121.1(3) . .
C5A C4A Cl2A 118.7(3) . .
C4A C5A C6A 119.1(4) . .
C4A C5A H5A 120.4 . .
C6A C5A H5A 120.4 . .
C5A C6A C1A 121.4(4) . .
C5A C6A C7A 122.7(4) . .
C1A C6A C7A 115.8(3) . .
N1A C7A C6A 113.0(3) . .
N1A C7A C8A 122.2(3) . .
C6A C7A C8A 124.8(3) . .
C7A C8A H8A1 109.5 . .
C7A C8A H8A2 109.5 . .
H8A1 C8A H8A2 109.5 . .
C7A C8A H8A3 109.5 . .
H8A1 C8A H8A3 109.5 . .
H8A2 C8A H8A3 109.5 . .
N2A C9A N3A 120.3(3) . .
N2A C9A S1A 124.9(3) . .
N3A C9A S1A 114.8(3) . .
N1B Pt1B C1B 81.42(15) . .
N1B Pt1B S1A 175.07(9) . .
C1B Pt1B S1A 93.72(12) . .
N1B Pt1B S1B 84.08(9) . .
C1B Pt1B S1B 164.92(12) . .
S1A Pt1B S1B 100.70(3) . .
C9B S1B Pt1A 107.24(11) . 2_655
C9B S1B Pt1B 93.35(12) . .
Pt1A S1B Pt1B 110.59(3) 2_655 .
C7B N1B N2B 119.4(3) . .
C7B N1B Pt1B 117.6(3) . .
N2B N1B Pt1B 123.0(2) . .
C9B N2B N1B 114.7(3) . .
C9B N3B H3B1 120.0 . .
C9B N3B H3B2 120.0 . .
H3B1 N3B H3B2 120.0 . .
C2B C1B C6B 117.9(3) . .
C2B C1B Pt1B 130.6(3) . .
C6B C1B Pt1B 111.4(3) . .
C1B C2B C3B 121.0(4) . .
C1B C2B H2B 119.5 . .
C3B C2B H2B 119.5 . .
C4B C3B C2B 120.3(4) . .
C4B C3B Cl1B 121.4(3) . .
C2B C3B Cl1B 118.3(4) . .
C3B C4B C5B 120.0(4) . .
C3B C4B Cl2B 120.9(4) . .
C5B C4B Cl2B 119.1(4) . .
C4B C5B C6B 120.0(4) . .
C4B C5B H5B 120.0 . .
C6B C5B H5B 120.0 . .
C5B C6B C1B 120.7(4) . .
C5B C6B C7B 123.4(4) . .
C1B C6B C7B 116.0(3) . .
N1B C7B C6B 113.6(3) . .
N1B C7B C8B 122.3(4) . .
C6B C7B C8B 124.0(4) . .
C7B C8B H8B1 109.5 . .
C7B C8B H8B2 109.5 . .
H8B1 C8B H8B2 109.5 . .
C7B C8B H8B3 109.5 . .
H8B1 C8B H8B3 109.5 . .
H8B2 C8B H8B3 109.5 . .
N2B C9B N3B 119.3(3) . .
N2B C9B S1B 124.8(3) . .
N3B C9B S1B 115.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 O1 1.503(3) .
S1 C2 1.777(4) .
S1 C1 1.783(5) .
S2 S2 1.419(5) 2_654
S2 O2 1.593(6) .
S2 C3 1.605(11) .
S2 C3 2.000(10) 2_654
O2 S2 1.593(6) 2_654
C1 H1E 0.9800 .
C1 H1D 0.9800 .
C1 H1C 0.9800 .
C2 H2E 0.9800 .
C2 H2D 0.9800 .
C2 H2C 0.9800 .
C3 S2 2.000(10) 2_654
Pt1A N1A 1.996(3) .
Pt1A C1A 2.004(3) .
Pt1A S1B 2.3143(8) 2_655
Pt1A S1A 2.3169(8) .
Cl1A C3A 1.737(4) .
Cl2A C4A 1.735(4) .
S1A C9A 1.801(4) .
S1A Pt1B 2.2965(9) .
N1A C7A 1.307(4) .
N1A N2A 1.390(4) .
N2A C9A 1.293(5) .
N3A C9A 1.337(5) .
N3A H3A1 0.8800 .
N3A H3A2 0.8800 .
C1A C2A 1.395(5) .
C1A C6A 1.419(5) .
C2A C3A 1.398(5) .
C2A H2A 0.9500 .
C3A C4A 1.383(6) .
C4A C5A 1.390(6) .
C5A C6A 1.400(5) .
C5A H5A 0.9500 .
C6A C7A 1.456(5) .
C7A C8A 1.497(5) .
C8A H8A1 0.9800 .
C8A H8A2 0.9800 .
C8A H8A3 0.9800 .
Pt1B N1B 1.995(3) .
Pt1B C1B 1.999(4) .
Pt1B S1B 2.3513(8) .
Cl1B C3B 1.736(5) .
Cl2B C4B 1.730(4) .
S1B C9B 1.815(4) .
S1B Pt1A 2.3143(8) 2_655
N1B C7B 1.302(5) .
N1B N2B 1.383(4) .
N2B C9B 1.300(5) .
N3B C9B 1.328(5) .
N3B H3B1 0.8800 .
N3B H3B2 0.8800 .
C1B C2B 1.387(6) .
C1B C6B 1.419(6) .
C2B C3B 1.400(5) .
C2B H2B 0.9500 .
C3B C4B 1.379(7) .
C4B C5B 1.387(7) .
C5B C6B 1.394(5) .
C5B H5B 0.9500 .
C6B C7B 1.461(6) .
C7B C8B 1.490(6) .
C8B H8B1 0.9800 .
C8B H8B2 0.9800 .
C8B H8B3 0.9800 .
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_4
C3 S2 O2 S2 69.4(4) . 2_654
C3 S2 O2 S2 -44.5(3) 2_654 2_654
O2 S2 C3 S2 -57.7(2) . 2_654
C3 S2 C3 S2 45.5(4) 2_654 2_654
N1A Pt1A S1A C9A 0.77(14) . .
C1A Pt1A S1A C9A 14.6(4) . .
S1B Pt1A S1A C9A -176.88(12) 2_655 .
N1A Pt1A S1A Pt1B 106.05(9) . .
C1A Pt1A S1A Pt1B 119.9(4) . .
S1B Pt1A S1A Pt1B -71.61(4) 2_655 .
C1A Pt1A N1A C7A 3.6(3) . .
S1B Pt1A N1A C7A -61(2) 2_655 .
S1A Pt1A N1A C7A 179.8(3) . .
C1A Pt1A N1A N2A -176.9(3) . .
S1B Pt1A N1A N2A 119.0(18) 2_655 .
S1A Pt1A N1A N2A -0.7(2) . .
C7A N1A N2A C9A 179.7(3) . .
Pt1A N1A N2A C9A 0.2(4) . .
N1A Pt1A C1A C2A 173.8(4) . .
S1B Pt1A C1A C2A -8.6(4) 2_655 .
S1A Pt1A C1A C2A 159.9(3) . .
N1A Pt1A C1A C6A -2.0(3) . .
S1B Pt1A C1A C6A 175.6(2) 2_655 .
S1A Pt1A C1A C6A -15.9(6) . .
C6A C1A C2A C3A -1.4(5) . .
Pt1A C1A C2A C3A -177.0(3) . .
C1A C2A C3A C4A -0.3(6) . .
C1A C2A C3A Cl1A 179.5(3) . .
C2A C3A C4A C5A 1.4(7) . .
Cl1A C3A C4A C5A -178.4(3) . .
C2A C3A C4A Cl2A -177.6(3) . .
Cl1A C3A C4A Cl2A 2.6(5) . .
C3A C4A C5A C6A -0.6(6) . .
Cl2A C4A C5A C6A 178.4(3) . .
C4A C5A C6A C1A -1.1(6) . .
C4A C5A C6A C7A 176.8(4) . .
C2A C1A C6A C5A 2.1(5) . .
Pt1A C1A C6A C5A 178.5(3) . .
C2A C1A C6A C7A -175.9(3) . .
Pt1A C1A C6A C7A 0.4(4) . .
N2A N1A C7A C6A 176.3(3) . .
Pt1A N1A C7A C6A -4.2(4) . .
N2A N1A C7A C8A -3.6(5) . .
Pt1A N1A C7A C8A 175.9(3) . .
C5A C6A C7A N1A -175.7(4) . .
C1A C6A C7A N1A 2.4(5) . .
C5A C6A C7A C8A 4.2(6) . .
C1A C6A C7A C8A -177.8(3) . .
N1A N2A C9A N3A 178.6(3) . .
N1A N2A C9A S1A 0.8(5) . .
Pt1B S1A C9A N2A -113.2(3) . .
Pt1A S1A C9A N2A -1.1(3) . .
Pt1B S1A C9A N3A 69.0(3) . .
Pt1A S1A C9A N3A -179.0(3) . .
C9A S1A Pt1B N1B -109.1(11) . .
Pt1A S1A Pt1B N1B 151.3(10) . .
C9A S1A Pt1B C1B -118.94(16) . .
Pt1A S1A Pt1B C1B 141.52(11) . .
C9A S1A Pt1B S1B 56.65(12) . .
Pt1A S1A Pt1B S1B -42.89(4) . .
N1B Pt1B S1B C9B -1.26(14) . .
C1B Pt1B S1B C9B -17.2(4) . .
S1A Pt1B S1B C9B 179.96(11) . .
N1B Pt1B S1B Pt1A -111.09(9) . 2_655
C1B Pt1B S1B Pt1A -127.0(4) . 2_655
S1A Pt1B S1B Pt1A 70.13(4) . 2_655
C1B Pt1B N1B C7B -1.3(3) . .
S1A Pt1B N1B C7B -11.2(13) . .
S1B Pt1B N1B C7B -177.2(3) . .
C1B Pt1B N1B N2B 177.0(3) . .
S1A Pt1B N1B N2B 167.1(9) . .
S1B Pt1B N1B N2B 1.1(3) . .
C7B N1B N2B C9B 178.1(3) . .
Pt1B N1B N2B C9B -0.2(4) . .
N1B Pt1B C1B C2B -177.7(4) . .
S1A Pt1B C1B C2B 1.4(4) . .
S1B Pt1B C1B C2B -161.7(3) . .
N1B Pt1B C1B C6B 1.2(3) . .
S1A Pt1B C1B C6B -179.7(3) . .
S1B Pt1B C1B C6B 17.2(6) . .
C6B C1B C2B C3B 0.7(6) . .
Pt1B C1B C2B C3B 179.6(3) . .
C1B C2B C3B C4B 0.0(7) . .
C1B C2B C3B Cl1B -180.0(3) . .
C2B C3B C4B C5B -0.9(7) . .
Cl1B C3B C4B C5B 179.1(4) . .
C2B C3B C4B Cl2B 179.4(4) . .
Cl1B C3B C4B Cl2B -0.6(6) . .
C3B C4B C5B C6B 1.0(7) . .
Cl2B C4B C5B C6B -179.3(4) . .
C4B C5B C6B C1B -0.2(7) . .
C4B C5B C6B C7B -178.9(4) . .
C2B C1B C6B C5B -0.6(6) . .
Pt1B C1B C6B C5B -179.7(3) . .
C2B C1B C6B C7B 178.1(4) . .
Pt1B C1B C6B C7B -1.0(5) . .
N2B N1B C7B C6B -177.2(3) . .
Pt1B N1B C7B C6B 1.1(5) . .
N2B N1B C7B C8B 1.9(6) . .
Pt1B N1B C7B C8B -179.7(3) . .
C5B C6B C7B N1B 178.6(4) . .
C1B C6B C7B N1B -0.1(5) . .
C5B C6B C7B C8B -0.5(7) . .
C1B C6B C7B C8B -179.2(4) . .
N1B N2B C9B N3B -177.7(3) . .
N1B N2B C9B S1B -1.4(5) . .
Pt1A S1B C9B N2B 114.7(3) 2_655 .
Pt1B S1B C9B N2B 1.9(3) . .
Pt1A S1B C9B N3B -68.9(3) 2_655 .
Pt1B S1B C9B N3B 178.3(3) . .
