#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:40:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179511 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/08/4340814.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_4340814
loop_
_publ_author_name
'Berenguer, Jesús R'
'Lalinde, Elena'
'Martín, Antonio'
'Moreno, M. Teresa'
'Ruiz, Santiago'
'Sánchez, Sergio'
'Shahsavari, Hamid R.'
_publ_section_title
;
 Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions
 and Structural Changes in the Pb(II) Environment.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8770
_journal_page_last               8785
_journal_paper_doi               10.1021/ic501458q
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C50 H26 Cl12 F16 N4 Pb Pt2 S2'
_chemical_formula_weight         2073.64
_chemical_name_common            'Compound X'
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2014-07-23T14:45:19-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 106.219(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.025(3)
_cell_length_b                   12.0740(10)
_cell_length_c                   21.3850(10)
_cell_measurement_reflns_used    13428
_cell_measurement_temperature    173.0(10)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.71073
_cell_volume                     6204.4(10)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      173.0(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.0356486
_diffrn_orient_matrix_UB_12      0.0223938
_diffrn_orient_matrix_UB_13      -0.0327988
_diffrn_orient_matrix_UB_21      -0.0548653
_diffrn_orient_matrix_UB_22      -0.0801395
_diffrn_orient_matrix_UB_23      -0.022582
_diffrn_orient_matrix_UB_31      -0.0656613
_diffrn_orient_matrix_UB_32      0.0020349
_diffrn_orient_matrix_UB_33      0.0280354
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12345
_diffrn_reflns_reduction_process
;
        Scaled and merged with Sortav
        R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
        R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.32
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    7.878
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.98
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.22
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3888
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.07
_refine_diff_density_min         -1.763
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     411
_refine_ls_number_reflns         6336
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0281P)²+43.3179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0743
_reflns_number_gt                5263
_reflns_number_total             6336
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic501458q_si_003.cif
_cod_data_source_block           6_4CHCl3
_cod_depositor_comments
'Adding full bibliography for 4340810--4340817.cif.'
_cod_original_cell_volume        6204.4(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4340814
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0 -0.63985(3) 0.25 0.03341(9) Uani 1 2 d S . .
Pt1 Pt 0.057427(9) -0.587500(17) 0.385539(9) 0.02668(7) Uani 1 1 d . . .
S1 S 0.07005(8) -0.44376(15) 0.31210(10) 0.0592(5) Uani 1 1 d . . .
F14 F 0.17921(15) -0.5249(3) 0.46599(17) 0.0514(9) Uani 1 1 d . . .
F15 F 0.27788(17) -0.6130(4) 0.4729(3) 0.0851(15) Uani 1 1 d . . .
F16 F 0.28764(19) -0.7865(5) 0.3948(3) 0.1009(18) Uani 1 1 d . . .
F17 F 0.19392(19) -0.8803(4) 0.3159(2) 0.0754(13) Uani 1 1 d . . .
F18 F 0.09378(15) -0.8031(3) 0.31338(16) 0.0484(9) Uani 1 1 d . . .
N1 N -0.01535(18) -0.5185(4) 0.39788(19) 0.0281(10) Uani 1 1 d . . .
N2 N 0.1001(2) -0.5903(4) 0.2357(2) 0.0417(12) Uani 1 1 d . . .
C2 C -0.0374(2) -0.4206(5) 0.3737(3) 0.0349(13) Uani 1 1 d . . .
H2 H -0.0203 -0.3797 0.3479 0.042 Uiso 1 1 calc R . .
C3 C -0.0853(3) -0.3788(5) 0.3862(3) 0.0443(16) Uani 1 1 d . . .
H3 H -0.1004 -0.3115 0.3686 0.053 Uiso 1 1 calc R . .
C4 C -0.1095(3) -0.4396(6) 0.4253(3) 0.0461(16) Uani 1 1 d . . .
H4 H -0.1413 -0.4132 0.4347 0.055 Uiso 1 1 calc R . .
C5 C -0.0867(2) -0.5400(6) 0.4506(3) 0.0405(14) Uani 1 1 d . . .
H5 H -0.1033 -0.5815 0.4767 0.049 Uiso 1 1 calc R . .
C6 C -0.0284(3) -0.7541(5) 0.5017(3) 0.0426(15) Uani 1 1 d . . .
H6 H -0.0612 -0.739 0.5125 0.051 Uiso 1 1 calc R . .
C7 C 0.0017(3) -0.8477(6) 0.5258(3) 0.0495(17) Uani 1 1 d . . .
H7 H -0.0103 -0.8954 0.5533 0.059 Uiso 1 1 calc R . .
C8 C 0.0501(3) -0.8702(5) 0.5087(3) 0.0486(16) Uani 1 1 d . . .
H8 H 0.0704 -0.934 0.5243 0.058 Uiso 1 1 calc R . .
C9 C 0.0686(3) -0.7991(5) 0.4688(3) 0.0373(13) Uani 1 1 d . . .
H9 H 0.1014 -0.8153 0.4583 0.045 Uiso 1 1 calc R . .
C10 C 0.0392(2) -0.7031(5) 0.4437(2) 0.0302(12) Uani 1 1 d . . .
C11 C -0.0101(2) -0.6814(5) 0.4609(2) 0.0300(12) Uani 1 1 d . . .
C12 C -0.0392(2) -0.5781(5) 0.4367(2) 0.0305(12) Uani 1 1 d . . .
C13 C 0.1316(2) -0.6582(5) 0.3883(3) 0.0351(13) Uani 1 1 d . . .
C14 C 0.1804(3) -0.6152(5) 0.4280(3) 0.0397(14) Uani 1 1 d . . .
C15 C 0.2323(3) -0.6571(6) 0.4321(3) 0.0515(17) Uani 1 1 d . . .
C16 C 0.2371(3) -0.7454(7) 0.3945(4) 0.060(2) Uani 1 1 d . . .
C17 C 0.1903(3) -0.7928(6) 0.3541(3) 0.0501(17) Uani 1 1 d . . .
C18 C 0.1387(3) -0.7503(5) 0.3535(3) 0.0370(14) Uani 1 1 d . . .
C19 C 0.1347(3) -0.6365(5) 0.2073(3) 0.0422(15) Uani 1 1 d . A .
H19 H 0.1227 -0.6981 0.181 0.051 Uiso 1 1 calc R . .
C20 C 0.1884(3) -0.5982(6) 0.2147(3) 0.0445(15) Uani 1 1 d . . .
C21 C 0.2057(3) -0.5033(6) 0.2514(3) 0.0502(17) Uani 1 1 d . A .
H21 H 0.2409 -0.4738 0.2557 0.06 Uiso 1 1 calc R . .
C22 C 0.1698(3) -0.4533(6) 0.2815(3) 0.0474(16) Uani 1 1 d . . .
H22 H 0.1803 -0.3897 0.3064 0.057 Uiso 1 1 calc R A .
C23 C 0.1173(3) -0.5000(5) 0.2738(3) 0.0409(15) Uani 1 1 d . A .
C24 C 0.2262(4) -0.6550(8) 0.1834(4) 0.071(2) Uani 0.7 1 d P A 1
F1 F 0.2208(3) -0.7654(7) 0.1785(4) 0.0887(12) Uani 0.7 1 d P A 1
F2 F 0.2190(3) -0.6206(7) 0.1192(4) 0.0887(12) Uani 0.7 1 d P A 1
F3 F 0.2802(3) -0.6351(7) 0.2081(4) 0.0887(12) Uani 0.7 1 d P A 1
C24B C 0.2262(4) -0.6550(8) 0.1834(4) 0.071(2) Uani 0.3 1 d P A 2
F1B F 0.2682(8) -0.7041(17) 0.2320(9) 0.0887(12) Uani 0.3 1 d P A 2
F2B F 0.1961(8) -0.7359(17) 0.1460(9) 0.0887(12) Uani 0.3 1 d P A 2
F3B F 0.2465(8) -0.5898(17) 0.1483(10) 0.0887(12) Uani 0.3 1 d P A 2
Cl1 Cl 0.13373(12) -0.0121(4) 0.16690(12) 0.1275(13) Uani 1 1 d . . .
Cl2 Cl 0.02834(14) 0.0761(3) 0.16753(16) 0.1359(14) Uani 1 1 d . . .
Cl3 Cl 0.06320(16) -0.1396(2) 0.22063(15) 0.1206(11) Uani 1 1 d . . .
C48 C 0.0842(4) -0.0051(7) 0.2090(4) 0.076(2) Uani 1 1 d . . .
H48 H 0.1011 0.0284 0.2517 0.091 Uiso 1 1 calc R . .
C50 C 0.1776(4) -0.1303(9) 0.4559(5) 0.0887(12) Uani 0.6 1 d P B 1
H50 H 0.2152 -0.1035 0.4586 0.106 Uiso 0.6 1 calc PR B 1
Cl7 Cl 0.1313(5) -0.0366(6) 0.4065(3) 0.084(2) Uani 0.6 1 d P B 1
Cl8 Cl 0.1682(4) -0.1145(7) 0.5353(4) 0.0738(18) Uani 0.6 1 d P B 1
Cl9 Cl 0.1776(3) -0.2687(6) 0.4414(3) 0.0830(18) Uani 0.6 1 d P B 1
C50B C 0.1776(4) -0.1303(9) 0.4559(5) 0.0887(12) Uani 0.4 1 d P C 2
H50B H 0.2128 -0.1056 0.4489 0.106 Uiso 0.4 1 calc PR C 2
Cl8B Cl 0.1821(8) -0.1426(16) 0.5342(9) 0.160(8) Uani 0.4 1 d P C 2
Cl9B Cl 0.1522(5) -0.2604(9) 0.4111(6) 0.107(4) Uani 0.4 1 d PD C 2
Cl7B Cl 0.1229(9) -0.0627(11) 0.4076(9) 0.143(7) Uani 0.4 1 d PD C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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'
F F 0.0171 0.0103 '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'
Pb Pb -3.3944 10.1111 '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'
S S 0.1246 0.1234 '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
N2 Pb1 N2 154.2(2) . 2
N2 Pb1 Pt1 81.27(11) . .
N2 Pb1 Pt1 93.16(10) 2 .
N2 Pb1 Pt1 93.16(10) . 2
N2 Pb1 Pt1 81.27(11) 2 2
Pt1 Pb1 Pt1 155.019(14) . 2
N2 Pb1 S1 55.15(12) . .
N2 Pb1 S1 102.79(11) 2 .
Pt1 Pb1 S1 48.00(3) . .
Pt1 Pb1 S1 109.30(4) 2 .
N2 Pb1 S1 102.79(11) . 2
N2 Pb1 S1 55.15(12) 2 2
Pt1 Pb1 S1 109.30(4) . 2
Pt1 Pb1 S1 48.00(3) 2 2
S1 Pb1 S1 76.92(7) . 2
C10 Pt1 C13 93.1(2) . .
C10 Pt1 N1 80.9(2) . .
C13 Pt1 N1 171.34(18) . .
C10 Pt1 S1 174.52(16) . .
C13 Pt1 S1 92.09(16) . .
N1 Pt1 S1 94.16(13) . .
C10 Pt1 Pb1 109.29(15) . .
C13 Pt1 Pb1 97.49(16) . .
N1 Pt1 Pb1 90.40(11) . .
S1 Pt1 Pb1 68.19(6) . .
C23 S1 Pt1 104.7(2) . .
C23 S1 Pb1 82.9(2) . .
Pt1 S1 Pb1 63.81(5) . .
C2 N1 C12 119.8(5) . .
C2 N1 Pt1 125.6(4) . .
C12 N1 Pt1 114.5(3) . .
C19 N2 C23 118.5(5) . .
C19 N2 Pb1 135.9(4) . .
C23 N2 Pb1 105.2(4) . .
N1 C2 C3 121.8(6) . .
N1 C2 H2 119.1 . .
C3 C2 H2 119.1 . .
C4 C3 C2 118.2(6) . .
C4 C3 H3 120.9 . .
C2 C3 H3 120.9 . .
C3 C4 C5 120.1(6) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C4 C5 C12 119.6(6) . .
C4 C5 H5 120.2 . .
C12 C5 H5 120.2 . .
C7 C6 C11 120.5(6) . .
C7 C6 H6 119.7 . .
C11 C6 H6 119.7 . .
C6 C7 C8 119.3(6) . .
C6 C7 H7 120.4 . .
C8 C7 H7 120.4 . .
C9 C8 C7 120.6(6) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C8 C9 C10 121.6(6) . .
C8 C9 H9 119.2 . .
C10 C9 H9 119.2 . .
C9 C10 C11 117.4(5) . .
C9 C10 Pt1 129.0(4) . .
C11 C10 Pt1 113.6(4) . .
C6 C11 C10 120.6(5) . .
C6 C11 C12 122.5(5) . .
C10 C11 C12 116.9(5) . .
N1 C12 C5 120.4(5) . .
N1 C12 C11 114.0(5) . .
C5 C12 C11 125.5(5) . .
C18 C13 C14 114.3(5) . .
C18 C13 Pt1 125.4(5) . .
C14 C13 Pt1 120.3(4) . .
F14 C14 C15 115.7(6) . .
F14 C14 C13 120.3(5) . .
C15 C14 C13 124.0(6) . .
F15 C15 C16 119.9(6) . .
F15 C15 C14 120.9(7) . .
C16 C15 C14 119.2(6) . .
F16 C16 C15 121.3(7) . .
F16 C16 C17 118.8(7) . .
C15 C16 C17 119.9(6) . .
F17 C17 C16 121.1(6) . .
F17 C17 C18 120.2(7) . .
C16 C17 C18 118.8(6) . .
F18 C18 C13 120.6(5) . .
F18 C18 C17 115.7(5) . .
C13 C18 C17 123.7(6) . .
N2 C19 C20 123.3(6) . .
N2 C19 H19 118.4 . .
C20 C19 H19 118.4 . .
C19 C20 C21 118.7(6) . .
C19 C20 C24 121.2(6) . .
C21 C20 C24 120.1(6) . .
C22 C21 C20 118.8(6) . .
C22 C21 H21 120.6 . .
C20 C21 H21 120.6 . .
C21 C22 C23 118.8(6) . .
C21 C22 H22 120.6 . .
C23 C22 H22 120.6 . .
N2 C23 C22 121.8(6) . .
N2 C23 S1 116.6(5) . .
C22 C23 S1 121.6(5) . .
F3 C24 F1 106.3(9) . .
F3 C24 F2 100.2(7) . .
F1 C24 F2 103.8(8) . .
F3 C24 C20 116.5(7) . .
F1 C24 C20 115.7(7) . .
F2 C24 C20 112.6(8) . .
Cl1 C48 Cl2 110.8(5) . .
Cl1 C48 Cl3 108.5(5) . .
Cl2 C48 Cl3 111.5(5) . .
Cl1 C48 H48 108.6 . .
Cl2 C48 H48 108.6 . .
Cl3 C48 H48 108.6 . .
Cl9 C50 Cl7 124.0(7) . .
Cl9 C50 Cl8 106.5(7) . .
Cl7 C50 Cl8 105.3(6) . .
Cl9 C50 H50 106.6 . .
Cl7 C50 H50 106.6 . .
Cl8 C50 H50 106.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 N2 2.674(5) .
Pb1 N2 2.674(5) 2
Pb1 Pt1 2.9222(4) .
Pb1 Pt1 2.9222(4) 2
Pb1 S1 3.024(2) .
Pb1 S1 3.024(2) 2
Pt1 C10 2.005(5) .
Pt1 C13 2.028(6) .
Pt1 N1 2.085(4) .
Pt1 S1 2.4199(16) .
S1 C23 1.753(7) .
F14 C14 1.364(7) .
F15 C15 1.337(8) .
F16 C16 1.357(7) .
F17 C17 1.354(8) .
F18 C18 1.366(7) .
N1 C2 1.346(7) .
N1 C12 1.358(7) .
N2 C19 1.314(8) .
N2 C23 1.358(8) .
C2 C3 1.392(8) .
C2 H2 0.93 .
C3 C4 1.373(9) .
C3 H3 0.93 .
C4 C5 1.384(9) .
C4 H4 0.93 .
C5 C12 1.381(8) .
C5 H5 0.93 .
C6 C7 1.376(9) .
C6 C11 1.401(8) .
C6 H6 0.93 .
C7 C8 1.388(9) .
C7 H7 0.93 .
C8 C9 1.378(8) .
C8 H8 0.93 .
C9 C10 1.396(8) .
C9 H9 0.93 .
C10 C11 1.408(7) .
C11 C12 1.464(7) .
C13 C18 1.376(8) .
C13 C14 1.380(8) .
C14 C15 1.375(9) .
C15 C16 1.361(10) .
C16 C17 1.371(10) .
C17 C18 1.387(8) .
C19 C20 1.386(8) .
C19 H19 0.93 .
C20 C21 1.388(9) .
C20 C24 1.474(10) .
C21 C22 1.382(9) .
C21 H21 0.93 .
C22 C23 1.395(9) .
C22 H22 0.93 .
C24 F3 1.327(11) .
C24 F1 1.341(12) .
C24 F2 1.396(11) .
Cl1 C48 1.725(10) .
Cl2 C48 1.734(10) .
Cl3 C48 1.746(9) .
C48 H48 0.98 .
C50 Cl9 1.700(13) .
C50 Cl7 1.748(13) .
C50 Cl8 1.789(12) .
C50 H50 0.98 .
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
N2 Pb1 Pt1 C10 -135.0(2) .
N2 Pb1 Pt1 C10 70.4(2) 2
Pt1 Pb1 Pt1 C10 146.42(17) 2
S1 Pb1 Pt1 C10 174.80(17) .
S1 Pb1 Pt1 C10 124.44(17) 2
N2 Pb1 Pt1 C13 -39.0(2) .
N2 Pb1 Pt1 C13 166.3(2) 2
Pt1 Pb1 Pt1 C13 -117.64(16) 2
S1 Pb1 Pt1 C13 -89.26(17) .
S1 Pb1 Pt1 C13 -139.62(17) 2
N2 Pb1 Pt1 N1 144.54(17) .
N2 Pb1 Pt1 N1 -10.08(17) 2
Pt1 Pb1 Pt1 N1 65.94(12) 2
S1 Pb1 Pt1 N1 94.32(13) .
S1 Pb1 Pt1 N1 43.96(13) 2
N2 Pb1 Pt1 S1 50.22(12) .
N2 Pb1 Pt1 S1 -104.40(12) 2
Pt1 Pb1 Pt1 S1 -28.38(4) 2
S1 Pb1 Pt1 S1 -50.36(8) 2
C10 Pt1 S1 C23 -137.8(16) .
C13 Pt1 S1 C23 23.0(3) .
N1 Pt1 S1 C23 -163.0(3) .
Pb1 Pt1 S1 C23 -74.2(2) .
C10 Pt1 S1 Pb1 -63.6(16) .
C13 Pt1 S1 Pb1 97.23(17) .
N1 Pt1 S1 Pb1 -88.77(12) .
N2 Pb1 S1 C23 -2.0(2) .
N2 Pb1 S1 C23 -167.1(2) 2
Pt1 Pb1 S1 C23 110.24(19) .
Pt1 Pb1 S1 C23 -82.04(19) 2
S1 Pb1 S1 C23 -118.0(2) 2
N2 Pb1 S1 Pt1 -112.22(13) .
N2 Pb1 S1 Pt1 82.62(12) 2
Pt1 Pb1 S1 Pt1 167.720(19) 2
S1 Pb1 S1 Pt1 131.74(6) 2
C10 Pt1 N1 C2 177.0(4) .
C13 Pt1 N1 C2 130.8(13) .
S1 Pt1 N1 C2 -5.4(4) .
Pb1 Pt1 N1 C2 -73.5(4) .
C10 Pt1 N1 C12 0.5(4) .
C13 Pt1 N1 C12 -45.7(15) .
S1 Pt1 N1 C12 178.2(3) .
Pb1 Pt1 N1 C12 110.0(3) .
N2 Pb1 N2 C19 -149.6(6) 2
Pt1 Pb1 N2 C19 131.3(6) .
Pt1 Pb1 N2 C19 -73.2(6) 2
S1 Pb1 N2 C19 175.4(6) .
S1 Pb1 N2 C19 -120.8(5) 2
N2 Pb1 N2 C23 37.6(3) 2
Pt1 Pb1 N2 C23 -41.5(3) .
Pt1 Pb1 N2 C23 114.0(3) 2
S1 Pb1 N2 C23 2.6(3) .
S1 Pb1 N2 C23 66.5(3) 2
C12 N1 C2 C3 -1.4(8) .
Pt1 N1 C2 C3 -177.7(4) .
N1 C2 C3 C4 1.0(9) .
C2 C3 C4 C5 -0.6(9) .
C3 C4 C5 C12 0.5(9) .
C11 C6 C7 C8 -0.8(10) .
C6 C7 C8 C9 1.0(10) .
C7 C8 C9 C10 -0.8(10) .
C8 C9 C10 C11 0.3(8) .
C8 C9 C10 Pt1 179.7(5) .
C13 Pt1 C10 C9 -4.8(5) .
N1 Pt1 C10 C9 -178.5(5) .
S1 Pt1 C10 C9 156.0(14) .
Pb1 Pt1 C10 C9 94.3(5) .
C13 Pt1 C10 C11 174.7(4) .
N1 Pt1 C10 C11 0.9(4) .
S1 Pt1 C10 C11 -24.5(19) .
Pb1 Pt1 C10 C11 -86.3(4) .
C7 C6 C11 C10 0.3(9) .
C7 C6 C11 C12 -176.9(5) .
C9 C10 C11 C6 -0.1(8) .
Pt1 C10 C11 C6 -179.6(4) .
C9 C10 C11 C12 177.3(5) .
Pt1 C10 C11 C12 -2.3(6) .
C2 N1 C12 C5 1.3(8) .
Pt1 N1 C12 C5 178.0(4) .
C2 N1 C12 C11 -178.5(5) .
Pt1 N1 C12 C11 -1.8(5) .
C4 C5 C12 N1 -0.9(8) .
C4 C5 C12 C11 178.9(5) .
C6 C11 C12 N1 -180.0(5) .
C10 C11 C12 N1 2.7(7) .
C6 C11 C12 C5 0.2(9) .
C10 C11 C12 C5 -177.1(5) .
C10 Pt1 C13 C18 77.7(5) .
N1 Pt1 C13 C18 123.3(13) .
S1 Pt1 C13 C18 -100.5(5) .
Pb1 Pt1 C13 C18 -32.2(5) .
C10 Pt1 C13 C14 -101.3(5) .
N1 Pt1 C13 C14 -55.7(16) .
S1 Pt1 C13 C14 80.5(5) .
Pb1 Pt1 C13 C14 148.8(4) .
C18 C13 C14 F14 -178.9(5) .
Pt1 C13 C14 F14 0.2(7) .
C18 C13 C14 C15 1.8(9) .
Pt1 C13 C14 C15 -179.1(5) .
F14 C14 C15 F15 2.3(9) .
C13 C14 C15 F15 -178.4(6) .
F14 C14 C15 C16 -178.3(6) .
C13 C14 C15 C16 1.0(10) .
F15 C15 C16 F16 -3.5(11) .
C14 C15 C16 F16 177.1(7) .
F15 C15 C16 C17 178.1(7) .
C14 C15 C16 C17 -1.3(11) .
F16 C16 C17 F17 1.2(11) .
C15 C16 C17 F17 179.7(6) .
F16 C16 C17 C18 -179.7(6) .
C15 C16 C17 C18 -1.2(11) .
C14 C13 C18 F18 178.5(5) .
Pt1 C13 C18 F18 -0.6(8) .
C14 C13 C18 C17 -4.5(8) .
Pt1 C13 C18 C17 176.4(5) .
F17 C17 C18 F18 0.7(9) .
C16 C17 C18 F18 -178.5(6) .
F17 C17 C18 C13 -176.5(6) .
C16 C17 C18 C13 4.3(10) .
C23 N2 C19 C20 0.5(9) .
Pb1 N2 C19 C20 -171.5(4) .
N2 C19 C20 C21 -3.1(10) .
N2 C19 C20 C24 178.1(7) .
C19 C20 C21 C22 2.7(10) .
C24 C20 C21 C22 -178.5(7) .
C20 C21 C22 C23 -0.1(10) .
C19 N2 C23 C22 2.3(8) .
Pb1 N2 C23 C22 176.6(5) .
C19 N2 C23 S1 -178.4(4) .
Pb1 N2 C23 S1 -4.2(5) .
C21 C22 C23 N2 -2.5(9) .
C21 C22 C23 S1 178.3(5) .
Pt1 S1 C23 N2 64.1(4) .
Pb1 S1 C23 N2 3.6(4) .
Pt1 S1 C23 C22 -116.7(5) .
Pb1 S1 C23 C22 -177.2(5) .
C19 C20 C24 F3 -159.9(8) .
C21 C20 C24 F3 21.3(12) .
C19 C20 C24 F1 -33.9(12) .
C21 C20 C24 F1 147.3(8) .
C19 C20 C24 F2 85.1(9) .
C21 C20 C24 F2 -93.7(9) .
