#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:47:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179306 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/03/4320356.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_4320356
loop_
_publ_author_name
'Wesley R. Browne'
'Christine M. O'Connor'
'Claudio Villani'
'Johannes G. Vos'
_publ_section_title
;
 Separation and Photophysical Properties of the ΔΔ, ΛΛ, ΔΛ, and ΛΔ
 Stereoisomers of a Dinuclear Ruthenium(II) Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5461
_journal_page_last               5464
_journal_paper_doi               10.1021/ic010473m
_journal_volume                  40
_journal_year                    2001
_chemical_compound_source        'See text'
_chemical_formula_sum            'C68 H78 F24 N2 Pt2 S6'
_chemical_formula_weight         1961.86
_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_date             1998-11-10
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.012(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.6707(8)
_cell_length_b                   19.276(2)
_cell_length_c                   15.6448(15)
_cell_measurement_reflns_used    41
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.51
_cell_measurement_theta_min      4.75
_cell_volume                     3897.8(6)
_computing_cell_refinement       'XSCANS 2.10b (Fait, 1991)'
_computing_data_collection       'XSCANS 2.10b (Fait, 1991)'
_computing_data_reduction        'XSCANS 2.10b (Fait, 1991)'
_computing_molecular_graphics    'SHELXTL 5.03 (Sheldrick, 1995)'
_computing_publication_material  'SHELX97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL 5.03 (Sheldrick, 1995)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'scintillation counter'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       '2θ/ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8217
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.02
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30
_diffrn_source_power             1.5
_diffrn_source_voltage           50
_diffrn_standards_decay_%        3.97
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.843
_exptl_absorpt_correction_T_max  0.66114
_exptl_absorpt_correction_T_min  0.46399
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'XSCANS (Fait, 1991)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       regular_prism
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         1.717
_refine_diff_density_min         -0.877
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.00058(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         6814
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.750
_refine_ls_shift/su_mean         0.071
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0891P)²+12.6814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1456
_refine_ls_wR_factor_ref         0.1703
_reflns_number_gt                4756
_reflns_number_total             6814
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic010473m_3.cif
_cod_data_source_block           gr26
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        3897.9(6)
_cod_database_code               4320356
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
Pt1 Pt 0.521154(15) 1.085275(11) 0.973900(14) 0.06501(6) Uani 1 1 d . . .
S1 S 0.43909(10) 1.02647(8) 1.06051(10) 0.0735(4) Uani 1 1 d . . .
S2 S 0.63065(12) 1.14065(8) 0.90998(10) 0.0761(4) Uani 1 1 d . . .
S3 S 0.46853(14) 1.19613(9) 0.99191(11) 0.0924(5) Uani 1 1 d . . .
C1 C 0.3030(4) 1.0365(3) 1.0135(4) 0.0716(15) Uani 1 1 d . . .
C2 C 0.2480(4) 1.0233(3) 0.9258(5) 0.0859(19) Uani 1 1 d . . .
C3 C 0.1407(5) 1.0292(4) 0.8914(5) 0.099(3) Uani 1 1 d . . .
C4 C 0.0861(5) 1.0511(4) 0.9457(6) 0.119(3) Uani 1 1 d . . .
H4A H 0.0146 1.0566 0.9232 0.143 Uiso 1 1 calc R . .
C5 C 0.1401(5) 1.0647(4) 1.0340(5) 0.104(2) Uani 1 1 d . . .
C6 C 0.2459(5) 1.0568(4) 1.0685(4) 0.0894(19) Uani 1 1 d . . .
C7 C 0.6354(5) 1.0979(3) 0.8141(4) 0.0772(18) Uani 1 1 d . . .
C8 C 0.7305(6) 1.0897(5) 0.8001(6) 0.120(3) Uani 1 1 d . . .
C9 C 0.7344(7) 1.0602(7) 0.7185(6) 0.198(4) Uani 1 1 d . . .
C10 C 0.6444(10) 1.0371(7) 0.6541(7) 0.215(5) Uani 1 1 d . . .
H10A H 0.6470 1.0168 0.6010 0.258 Uiso 1 1 calc R . .
C11 C 0.5519(10) 1.0443(5) 0.6690(6) 0.153(4) Uani 1 1 d . . .
C12 C 0.5507(6) 1.0708(3) 0.7476(5) 0.091(2) Uani 1 1 d . . .
C13 C 0.4165(3) 1.1964(2) 1.0826(3) 0.112(3) Uani 1 1 d GD . .
C14 C 0.3249(3) 1.2301(3) 1.0775(4) 0.229(5) Uani 1 1 d GD . .
C15 C 0.3034(5) 1.2463(4) 1.1561(5) 0.176(4) Uani 1 1 d GD . .
C16 C 0.3736(7) 1.2288(5) 1.2399(4) 0.344(12) Uani 1 1 d GD . .
C17 C 0.4652(6) 1.1950(5) 1.2450(3) 0.468(9) Uani 1 1 d GD . .
C18 C 0.4867(4) 1.1789(3) 1.1664(3) 0.222(6) Uani 1 1 d GD . .
H16A H 0.3588 1.2399 1.2942 0.266 Uiso 1 1 d R . .
F2 F 0.2954(3) 1.0022(2) 0.8656(3) 0.1045(14) Uani 1 1 d . . .
F3 F 0.0924(3) 1.0120(3) 0.8070(4) 0.146(2) Uani 1 1 d . . .
F5 F 0.0909(3) 1.0843(3) 1.0927(3) 0.1487(19) Uani 1 1 d . . .
F6 F 0.2965(3) 1.0727(3) 1.1563(3) 0.1259(15) Uani 1 1 d . . .
F8 F 0.8167(3) 1.1123(3) 0.8641(4) 0.163(2) Uani 1 1 d . . .
F9 F 0.8332(5) 1.0574(5) 0.7161(5) 0.322(3) Uani 1 1 d . . .
F11 F 0.4722(8) 1.0187(4) 0.6066(4) 0.243(4) Uani 1 1 d . . .
F12 F 0.4568(3) 1.0737(2) 0.7540(4) 0.129(2) Uani 1 1 d . . .
F14 F 0.2657(5) 1.2454(3) 0.9952(4) 0.234(3) Uani 1 1 d D . .
F15 F 0.2140(5) 1.2712(5) 1.1440(6) 0.281(5) Uani 1 1 d D . .
F17 F 0.5236(9) 1.1664(8) 1.3259(5) 0.419(10) Uani 1 1 d D . .
F18 F 0.5714(4) 1.1404(4) 1.1792(4) 0.184(3) Uani 1 1 d D . .
N1 N -0.1376(4) 1.2124(3) 1.2172(3) 0.0896(18) Uani 1 1 d . B .
C19 C -0.1830(6) 1.2787(4) 1.2343(5) 0.108(3) Uani 1 1 d . . .
H19A H -0.1394 1.3164 1.2270 0.129 Uiso 1 1 calc R . .
H19B H -0.1812 1.2791 1.2968 0.129 Uiso 1 1 calc R . .
C20 C -0.2914(8) 1.2928(6) 1.1754(9) 0.233(6) Uani 1 1 d . . .
H20A H -0.2946 1.2905 1.1126 0.279 Uiso 1 1 calc R . .
H20B H -0.3363 1.2569 1.1852 0.279 Uiso 1 1 calc R . .
C21 C -0.3292(10) 1.3596(6) 1.1922(11) 0.289(9) Uani 1 1 d . . .
H21A H -0.2846 1.3950 1.1808 0.346 Uiso 1 1 calc R . .
H21B H -0.3222 1.3621 1.2559 0.346 Uiso 1 1 calc R . .
C22 C -0.4412(11) 1.3777(8) 1.1374(16) 0.552(12) Uani 1 1 d . . .
H22A H -0.4586 1.4222 1.1562 0.828 Uiso 1 1 calc R . .
H22B H -0.4868 1.3431 1.1473 0.828 Uiso 1 1 calc R . .
H22C H -0.4485 1.3794 1.0743 0.828 Uiso 1 1 calc R . .
C23 C -0.1936(7) 1.1500(4) 1.2322(5) 0.115(3) Uani 1 1 d . . .
H23A H -0.1481 1.1103 1.2385 0.139 Uiso 1 1 calc R A 1
H23B H -0.2526 1.1425 1.1781 0.139 Uiso 1 1 calc R A 1
C24 C -0.2342(15) 1.1503(15) 1.3156(13) 0.244(9) Uani 0.50 1 d P B 1
H24A H -0.1900 1.1789 1.3638 0.293 Uiso 0.50 1 calc PR B 1
H24B H -0.3040 1.1686 1.2982 0.293 Uiso 0.50 1 calc PR B 1
C24' C -0.1798(10) 1.1427(7) 1.3357(10) 0.091(4) Uani 0.50 1 d P B 2
H24C H -0.1069 1.1421 1.3711 0.109 Uiso 0.50 1 calc PR B 2
H24D H -0.2123 1.1814 1.3555 0.109 Uiso 0.50 1 calc PR B 2
C25 C -0.2322(11) 1.0729(6) 1.3480(8) 0.191(5) Uani 1 1 d . . .
H25A H -0.2904 1.0487 1.3061 0.229 Uiso 1 1 calc R B 1
H25B H -0.1696 1.0512 1.3445 0.229 Uiso 1 1 calc R B 1
C26 C -0.2363(12) 1.0628(8) 1.4410(9) 0.248(7) Uani 1 1 d . B .
H26A H -0.2676 1.0188 1.4446 0.372 Uiso 1 1 calc R . .
H26B H -0.2766 1.0993 1.4549 0.372 Uiso 1 1 calc R . .
H26C H -0.1674 1.0639 1.4835 0.372 Uiso 1 1 calc R . .
C27 C -0.1371(8) 1.2062(5) 1.1202(5) 0.131(4) Uani 1 1 d . . .
H27A H -0.2080 1.2061 1.0799 0.158 Uiso 1 1 calc R B .
H27B H -0.1065 1.1620 1.1134 0.158 Uiso 1 1 calc R . .
C28 C -0.0767(9) 1.2654(6) 1.0907(6) 0.177(5) Uani 1 1 d . B .
H28A H -0.0992 1.3104 1.1046 0.213 Uiso 1 1 calc R . .
H28B H -0.0029 1.2610 1.1218 0.213 Uiso 1 1 calc R . .
C29 C -0.0997(14) 1.2578(9) 0.9919(7) 0.338(9) Uani 1 1 d . . .
H29A H -0.1623 1.2829 0.9593 0.406 Uiso 1 1 calc R B .
H29B H -0.1091 1.2093 0.9746 0.406 Uiso 1 1 calc R . .
C30 C -0.0054(19) 1.2883(14) 0.9707(10) 0.571(16) Uani 1 1 d . B .
H30A H -0.0166 1.2848 0.9070 0.856 Uiso 1 1 calc R . .
H30B H 0.0557 1.2628 1.0034 0.856 Uiso 1 1 calc R . .
H30C H 0.0032 1.3361 0.9887 0.856 Uiso 1 1 calc R . .
C31 C -0.0272(6) 1.2109(4) 1.2830(5) 0.097(3) Uani 1 1 d . . .
H31A H -0.0301 1.2124 1.3441 0.117 Uiso 1 1 calc R B .
H31B H 0.0080 1.2526 1.2741 0.117 Uiso 1 1 calc R . .
C32 C 0.0373(8) 1.1485(6) 1.2749(9) 0.192(5) Uani 1 1 d . B .
H32A H 0.0037 1.1061 1.2839 0.230 Uiso 1 1 calc R . .
H32B H 0.0437 1.1472 1.2150 0.230 Uiso 1 1 calc R . .
C33 C 0.1435(10) 1.1541(7) 1.3455(10) 0.232(7) Uani 1 1 d . . .
H33A H 0.1806 1.1907 1.3265 0.278 Uiso 1 1 calc R B 3
H33B H 0.1340 1.1694 1.4013 0.278 Uiso 1 1 calc R B 3
C34 C 0.210(3) 1.0935(14) 1.366(2) 0.241(16) Uani 0.50 1 d P B 3
H34A H 0.2744 1.1052 1.4122 0.362 Uiso 0.50 1 calc PR B 3
H34B H 0.2240 1.0784 1.3129 0.362 Uiso 0.50 1 calc PR B 3
H34C H 0.1769 1.0569 1.3880 0.362 Uiso 0.50 1 calc PR B 3
C34' C 0.105(4) 1.132(2) 1.430(2) 0.37(3) Uani 0.50 1 d P B 4
H34D H 0.1625 1.1348 1.4853 0.556 Uiso 0.50 1 calc PR B 4
H34E H 0.0793 1.0854 1.4216 0.556 Uiso 0.50 1 calc PR B 4
H34F H 0.0514 1.1629 1.4332 0.556 Uiso 0.50 1 calc PR B 4
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'
F F 0.0171 0.0103 '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'
loop_
_audit_contact_author_name
_audit_contact_author_address
_audit_contact_author_email
_audit_contact_author_fax
_audit_contact_author_phone
'Bernès, Sylvain'
;     Facultad de Química, USAI
      Universidad Nacional Autónoma de México
      Coyoacán 04510
      México, D.F.
;
sylvain@eros.pquim.unam.mx (525)6232521 (525)6232524
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
1 3 2
1 3 -3
3 0 -3
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
S3 Pt1 S2 84.07(6) . . ?
S3 Pt1 S1 98.77(6) . . ?
S2 Pt1 S1 169.37(5) . . ?
S3 Pt1 S1 173.59(5) . 3_677 ?
S2 Pt1 S1 95.41(6) . 3_677 ?
S1 Pt1 S1 82.91(6) . 3_677 ?
C1 S1 Pt1 110.3(2) . . ?
C1 S1 Pt1 107.3(2) . 3_677 ?
Pt1 S1 Pt1 97.09(6) . 3_677 ?
C7 S2 Pt1 111.6(2) . . ?
C13 S3 Pt1 108.77(17) . . ?
C2 C1 C6 116.1(5) . . ?
C2 C1 S1 124.0(5) . . ?
C6 C1 S1 119.9(4) . . ?
C1 C2 F2 121.5(5) . . ?
C1 C2 C3 122.8(6) . . ?
F2 C2 C3 115.7(6) . . ?
F3 C3 C4 120.4(7) . . ?
F3 C3 C2 119.3(7) . . ?
C4 C3 C2 120.3(7) . . ?
C5 C4 C3 117.6(6) . . ?
F5 C5 C4 121.0(6) . . ?
F5 C5 C6 117.0(6) . . ?
C4 C5 C6 122.0(7) . . ?
F6 C6 C5 119.8(6) . . ?
F6 C6 C1 119.0(5) . . ?
C5 C6 C1 121.1(6) . . ?
C12 C7 C8 115.7(7) . . ?
C12 C7 S2 125.0(6) . . ?
C8 C7 S2 119.3(5) . . ?
F8 C8 C7 118.7(7) . . ?
F8 C8 C9 121.4(7) . . ?
C7 C8 C9 119.8(7) . . ?
F9 C9 C10 128.3(10) . . ?
F9 C9 C8 111.6(8) . . ?
C10 C9 C8 120.0(9) . . ?
C11 C10 C9 119.7(10) . . ?
F11 C11 C12 125.2(12) . . ?
F11 C11 C10 115.5(10) . . ?
C12 C11 C10 119.0(10) . . ?
F12 C12 C11 113.0(8) . . ?
F12 C12 C7 121.5(7) . . ?
C11 C12 C7 125.3(9) . . ?
C14 C13 C18 120.0 . . ?
C14 C13 S3 122.8(3) . . ?
C18 C13 S3 114.7(2) . . ?
F14 C14 C13 114.7(5) . . ?
F14 C14 C15 125.3(5) . . ?
C13 C14 C15 120.0 . . ?
F15 C15 C16 124.7(7) . . ?
F15 C15 C14 115.0(6) . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
F17 C17 C18 119.9(7) . . ?
F17 C17 C16 118.9(7) . . ?
C18 C17 C16 120.0 . . ?
F18 C18 C17 114.5(4) . . ?
F18 C18 C13 125.1(4) . . ?
C17 C18 C13 120.0 . . ?
C19 N1 C23 113.7(6) . . ?
C19 N1 C27 112.7(6) . . ?
C23 N1 C27 105.3(6) . . ?
C19 N1 C31 105.9(5) . . ?
C23 N1 C31 109.0(6) . . ?
C27 N1 C31 110.3(6) . . ?
N1 C19 C20 115.8(7) . . ?
C21 C20 C19 113.1(9) . . ?
C20 C21 C22 116.9(11) . . ?
N1 C23 C24 117.8(11) . . ?
N1 C23 C24' 109.9(7) . . ?
C24 C23 C24' 26.5(9) . . ?
C25 C24 C23 106.8(17) . . ?
C25 C24' C23 107.3(10) . . ?
C26 C25 C24 115.9(13) . . ?
C26 C25 C24' 113.4(11) . . ?
C24 C25 C24' 26.6(9) . . ?
N1 C27 C28 114.3(7) . . ?
C29 C28 C27 106.4(9) . . ?
C28 C29 C30 106.0(11) . . ?
N1 C31 C32 115.5(6) . . ?
C33 C32 C31 109.1(9) . . ?
C34 C33 C32 119.4(15) . . ?
C34 C33 C34' 87(2) . . ?
C32 C33 C34' 95.1(18) . . ?
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 S3 2.3012(17) . ?
Pt1 S2 2.3141(16) . ?
Pt1 S1 2.3174(16) . ?
Pt1 S1 2.3271(16) 3_677 ?
S1 C1 1.774(5) . ?
S1 Pt1 2.3271(15) 3_677 ?
S2 C7 1.731(6) . ?
S3 C13 1.782(5) . ?
C1 C2 1.357(8) . ?
C1 C6 1.394(9) . ?
C2 F2 1.367(8) . ?
C2 C3 1.394(9) . ?
C3 F3 1.312(9) . ?
C3 C4 1.368(12) . ?
C4 C5 1.362(11) . ?
C5 F5 1.357(9) . ?
C5 C6 1.377(8) . ?
C6 F6 1.356(7) . ?
C7 C12 1.383(9) . ?
C7 C8 1.396(10) . ?
C8 F8 1.346(9) . ?
C8 C9 1.414(13) . ?
C9 F9 1.364(11) . ?
C9 C10 1.385(14) . ?
C10 C11 1.364(18) . ?
C11 F11 1.300(12) . ?
C11 C12 1.337(12) . ?
C12 F12 1.321(10) . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 F14 1.312(7) . ?
C14 C15 1.3900 . ?
C15 F15 1.269(8) . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 F17 1.373(10) . ?
C17 C18 1.3900 . ?
C18 F18 1.334(8) . ?
N1 C19 1.483(10) . ?
N1 C23 1.485(10) . ?
N1 C27 1.523(9) . ?
N1 C31 1.525(8) . ?
C19 C20 1.494(12) . ?
C20 C21 1.443(16) . ?
C21 C22 1.533(18) . ?
C23 C24 1.58(2) . ?
C23 C24' 1.574(17) . ?
C24 C25 1.57(3) . ?
C24' C25 1.566(18) . ?
C25 C26 1.486(18) . ?
C27 C28 1.565(14) . ?
C28 C29 1.481(14) . ?
C29 C30 1.55(3) . ?
C31 C32 1.521(13) . ?
C32 C33 1.515(15) . ?
C33 C34 1.45(3) . ?
C33 C34' 1.63(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
S3 Pt1 S1 C1 62.3(2) . . . . ?
S2 Pt1 S1 C1 167.1(3) . . . . ?
S1 Pt1 S1 C1 -111.4(2) 3_677 . . . ?
S3 Pt1 S1 Pt1 173.75(5) . . . 3_677 ?
S2 Pt1 S1 Pt1 -81.5(3) . . . 3_677 ?
S1 Pt1 S1 Pt1 0.0 3_677 . . 3_677 ?
S3 Pt1 S2 C7 -138.0(2) . . . . ?
S1 Pt1 S2 C7 115.9(4) . . . . ?
S1 Pt1 S2 C7 35.6(2) 3_677 . . . ?
S2 Pt1 S3 C13 -155.65(16) . . . . ?
S1 Pt1 S3 C13 14.01(16) . . . . ?
S1 Pt1 S3 C13 118.7(5) 3_677 . . . ?
Pt1 S1 C1 C2 51.9(6) . . . . ?
Pt1 S1 C1 C2 -52.7(6) 3_677 . . . ?
Pt1 S1 C1 C6 -130.4(5) . . . . ?
Pt1 S1 C1 C6 125.0(5) 3_677 . . . ?
C6 C1 C2 F2 -179.2(6) . . . . ?
S1 C1 C2 F2 -1.4(9) . . . . ?
C6 C1 C2 C3 -0.1(10) . . . . ?
S1 C1 C2 C3 177.7(5) . . . . ?
C1 C2 C3 F3 -176.4(6) . . . . ?
F2 C2 C3 F3 2.7(10) . . . . ?
C1 C2 C3 C4 2.0(11) . . . . ?
F2 C2 C3 C4 -178.9(7) . . . . ?
F3 C3 C4 C5 176.5(7) . . . . ?
C2 C3 C4 C5 -1.8(12) . . . . ?
C3 C4 C5 F5 -177.7(7) . . . . ?
C3 C4 C5 C6 -0.2(12) . . . . ?
F5 C5 C6 F6 -4.1(11) . . . . ?
C4 C5 C6 F6 178.3(7) . . . . ?
F5 C5 C6 C1 179.7(6) . . . . ?
C4 C5 C6 C1 2.1(12) . . . . ?
C2 C1 C6 F6 -178.1(6) . . . . ?
S1 C1 C6 F6 4.0(9) . . . . ?
C2 C1 C6 C5 -1.9(10) . . . . ?
S1 C1 C6 C5 -179.7(6) . . . . ?
Pt1 S2 C7 C12 42.6(6) . . . . ?
Pt1 S2 C7 C8 -137.9(5) . . . . ?
C12 C7 C8 F8 -177.2(7) . . . . ?
S2 C7 C8 F8 3.3(10) . . . . ?
C12 C7 C8 C9 4.8(12) . . . . ?
S2 C7 C8 C9 -174.7(8) . . . . ?
F8 C8 C9 F9 1.0(15) . . . . ?
C7 C8 C9 F9 178.9(9) . . . . ?
F8 C8 C9 C10 179.7(10) . . . . ?
C7 C8 C9 C10 -2.4(16) . . . . ?
F9 C9 C10 C11 179.8(12) . . . . ?
C8 C9 C10 C11 1.3(18) . . . . ?
C9 C10 C11 F11 -177.3(11) . . . . ?
C9 C10 C11 C12 -3.0(17) . . . . ?
F11 C11 C12 F12 -5.0(13) . . . . ?
C10 C11 C12 F12 -178.8(9) . . . . ?
F11 C11 C12 C7 179.8(8) . . . . ?
C10 C11 C12 C7 6.1(15) . . . . ?
C8 C7 C12 F12 178.3(7) . . . . ?
S2 C7 C12 F12 -2.2(9) . . . . ?
C8 C7 C12 C11 -6.9(11) . . . . ?
S2 C7 C12 C11 172.6(7) . . . . ?
Pt1 S3 C13 C14 -135.2(2) . . . . ?
Pt1 S3 C13 C18 62.9(3) . . . . ?
C18 C13 C14 F14 178.6(4) . . . . ?
S3 C13 C14 F14 17.5(5) . . . . ?
C18 C13 C14 C15 0.0 . . . . ?
S3 C13 C14 C15 -161.0(3) . . . . ?
F14 C14 C15 F15 7.7(8) . . . . ?
C13 C14 C15 F15 -173.9(7) . . . . ?
F14 C14 C15 C16 -178.4(5) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
F15 C15 C16 C17 173.3(8) . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 F17 -167.5(10) . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
F17 C17 C18 F18 -6.1(9) . . . . ?
C16 C17 C18 F18 -173.5(6) . . . . ?
F17 C17 C18 C13 167.4(10) . . . . ?
C16 C17 C18 C13 0.0 . . . . ?
C14 C13 C18 F18 172.7(6) . . . . ?
S3 C13 C18 F18 -24.8(7) . . . . ?
C14 C13 C18 C17 0.0 . . . . ?
S3 C13 C18 C17 162.5(3) . . . . ?
C23 N1 C19 C20 -61.9(10) . . . . ?
C27 N1 C19 C20 57.8(11) . . . . ?
C31 N1 C19 C20 178.4(9) . . . . ?
N1 C19 C20 C21 -177.0(12) . . . . ?
C19 C20 C21 C22 -177.8(16) . . . . ?
C19 N1 C23 C24 -39.8(12) . . . . ?
C27 N1 C23 C24 -163.7(11) . . . . ?
C31 N1 C23 C24 78.0(12) . . . . ?
C19 N1 C23 C24' -67.6(9) . . . . ?
C27 N1 C23 C24' 168.6(8) . . . . ?
C31 N1 C23 C24' 50.3(9) . . . . ?
N1 C23 C24 C25 -149.4(9) . . . . ?
C24' C23 C24 C25 -71(2) . . . . ?
N1 C23 C24' C25 -175.2(9) . . . . ?
C24 C23 C24' C25 72(3) . . . . ?
C23 C24 C25 C26 162.1(12) . . . . ?
C23 C24 C25 C24' 71(2) . . . . ?
C23 C24' C25 C26 -173.1(11) . . . . ?
C23 C24' C25 C24 -72(2) . . . . ?
C19 N1 C27 C28 58.3(10) . . . . ?
C23 N1 C27 C28 -177.2(8) . . . . ?
C31 N1 C27 C28 -59.7(9) . . . . ?
N1 C27 C28 C29 -170.4(10) . . . . ?
C27 C28 C29 C30 -152.7(15) . . . . ?
C19 N1 C31 C32 -177.2(8) . . . . ?
C23 N1 C31 C32 60.1(10) . . . . ?
C27 N1 C31 C32 -55.0(10) . . . . ?
N1 C31 C32 C33 -179.0(10) . . . . ?
C31 C32 C33 C34 165(2) . . . . ?
C31 C32 C33 C34' 75.3(18) . . . . ?
