#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:38:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179196 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/35/4313507.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_4313507
loop_
_publ_author_name
'José S. Casas'
'Eduardo E. Castellano'
'J. Ellena'
'María S. García Tasende'
'Agustín Sánchez'
'José Sordo'
'María J. Vidarte'
_publ_section_title
;
 Compositional and Structural Variety of Diphenyllead(IV) Complexes
 Obtained by Reaction of Diphenyllead Dichloride with Thiosemicarbazones
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2584
_journal_page_last               2595
_journal_paper_doi               10.1021/ic026219r
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C32 H32 Cl4 N4 O Pb2 S'
_chemical_formula_weight         1076.86
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.016(4)
_cell_angle_beta                 92.413(4)
_cell_angle_gamma                103.377(4)
_cell_formula_units_Z            2
_cell_length_a                   9.907(2)
_cell_length_b                   12.604(3)
_cell_length_c                   15.834(4)
_cell_measurement_reflns_used    951
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.34
_cell_measurement_theta_min      2.585
_cell_volume                     1803.6(7)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'ORTEP, PLATON'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7344
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    9.707
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.539522
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            light_yellow
_exptl_crystal_density_diffrn    1.983
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.044
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       0.00054(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7344
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0235P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0528
_refine_ls_wR_factor_ref         0.0602
_reflns_number_gt                5667
_reflns_number_total             7344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic026219r_4.cif
_cod_data_source_block           '[PbPh2Cl(HPyTSC)][(PbPh2Cl3(MeOH)))]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0235P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0235P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1803.6(8)
_cod_database_code               4313507
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.584269(19) 0.934365(17) 0.103065(12) 0.03074(6) Uani 1 d . . .
Pb2 Pb 0.901487(19) 0.648209(16) 0.385953(12) 0.03119(6) Uani 1 d . . .
Cl1 Cl 0.61678(13) 1.13339(11) 0.05667(8) 0.0350(3) Uani 1 d . . .
Cl2 Cl 0.88810(15) 0.63829(13) 0.56053(9) 0.0473(3) Uani 1 d . . .
Cl3 Cl 0.82832(14) 0.84616(11) 0.45889(8) 0.0399(3) Uani 1 d . . .
Cl4 Cl 0.89359(15) 0.67687(14) 0.22861(9) 0.0496(4) Uani 1 d . . .
S S 0.79872(14) 1.10017(12) 0.23023(9) 0.0386(3) Uani 1 d . . .
C1 C 0.8188(5) 1.0390(4) 0.3081(3) 0.0316(11) Uani 1 d . . .
C2 C 0.5863(6) 0.7625(5) 0.2328(3) 0.0413(13) Uani 1 d . . .
H2 H 0.6012 0.7439 0.2841 0.050 Uiso 1 calc R . .
C3 C 0.4901(6) 0.6779(4) 0.1558(3) 0.0372(12) Uani 1 d . . .
C4 C 0.4267(7) 0.5697(5) 0.1564(4) 0.0565(17) Uani 1 d . . .
H4 H 0.4433 0.5498 0.2067 0.068 Uiso 1 calc R . .
C5 C 0.3378(7) 0.4899(6) 0.0818(5) 0.071(2) Uani 1 d . . .
H5 H 0.2926 0.4163 0.0814 0.085 Uiso 1 calc R . .
C6 C 0.3183(7) 0.5219(6) 0.0089(4) 0.069(2) Uani 1 d . . .
H6 H 0.2608 0.4697 -0.0428 0.083 Uiso 1 calc R . .
C7 C 0.3846(7) 0.6325(5) 0.0126(4) 0.0545(16) Uani 1 d . . .
H7 H 0.3696 0.6532 -0.0376 0.065 Uiso 1 calc R . .
C11 C 0.4177(5) 0.9756(4) 0.1834(3) 0.0302(11) Uani 1 d . . .
C12 C 0.2868(6) 0.8997(5) 0.1606(3) 0.0425(13) Uani 1 d . . .
H12 H 0.2680 0.8318 0.1107 0.051 Uiso 1 calc R . .
C13 C 0.1833(6) 0.9268(6) 0.2139(4) 0.0533(16) Uani 1 d . . .
H13 H 0.0939 0.8767 0.1997 0.064 Uiso 1 calc R . .
C14 C 0.2119(6) 1.0274(6) 0.2878(4) 0.0536(16) Uani 1 d . . .
H14 H 0.1422 1.0451 0.3234 0.064 Uiso 1 calc R . .
C15 C 0.3432(6) 1.1012(5) 0.3086(4) 0.0514(15) Uani 1 d . . .
H15 H 0.3626 1.1690 0.3587 0.062 Uiso 1 calc R . .
C16 C 0.4472(6) 1.0763(5) 0.2561(3) 0.0391(13) Uani 1 d . . .
H16 H 0.5361 1.1271 0.2701 0.047 Uiso 1 calc R . .
C21 C 0.7416(5) 0.8706(4) 0.0235(3) 0.0299(11) Uani 1 d . . .
C22 C 0.7660(6) 0.8944(5) -0.0535(4) 0.0531(16) Uani 1 d . . .
H22 H 0.7084 0.9296 -0.0768 0.064 Uiso 1 calc R . .
C23 C 0.8782(7) 0.8653(6) -0.0960(4) 0.068(2) Uani 1 d . . .
H23 H 0.8965 0.8820 -0.1481 0.081 Uiso 1 calc R . .
C24 C 0.9632(6) 0.8119(5) -0.0625(4) 0.0532(16) Uani 1 d . . .
H24 H 1.0395 0.7940 -0.0909 0.064 Uiso 1 calc R . .
C25 C 0.9339(6) 0.7857(5) 0.0125(4) 0.0512(16) Uani 1 d . . .
H25 H 0.9887 0.7470 0.0340 0.061 Uiso 1 calc R . .
C26 C 0.8239(6) 0.8156(5) 0.0575(4) 0.0444(14) Uani 1 d . . .
H26 H 0.8058 0.7988 0.1095 0.053 Uiso 1 calc R . .
C31 C 0.6917(5) 0.5340(4) 0.3495(3) 0.0314(11) Uani 1 d . . .
C32 C 0.6630(6) 0.4374(5) 0.2724(4) 0.0464(14) Uani 1 d . . .
H32 H 0.7328 0.4220 0.2363 0.056 Uiso 1 calc R . .
C33 C 0.5287(6) 0.3630(5) 0.2488(4) 0.0522(15) Uani 1 d . . .
H33 H 0.5083 0.2971 0.1971 0.063 Uiso 1 calc R . .
C34 C 0.4253(6) 0.3881(5) 0.3031(4) 0.0489(15) Uani 1 d . . .
H34 H 0.3356 0.3386 0.2879 0.059 Uiso 1 calc R . .
C35 C 0.4554(6) 0.4863(5) 0.3797(4) 0.0482(15) Uani 1 d . . .
H35 H 0.3859 0.5032 0.4156 0.058 Uiso 1 calc R . .
C36 C 0.5897(6) 0.5597(5) 0.4028(4) 0.0442(14) Uani 1 d . . .
H36 H 0.6104 0.6259 0.4542 0.053 Uiso 1 calc R . .
C41 C 1.1239(5) 0.7264(5) 0.4247(3) 0.0347(12) Uani 1 d . . .
C42 C 1.2001(6) 0.6896(5) 0.4787(4) 0.0436(14) Uani 1 d . . .
H42 H 1.1565 0.6303 0.4989 0.052 Uiso 1 calc R . .
C43 C 1.3412(6) 0.7407(6) 0.5030(4) 0.0562(17) Uani 1 d . . .
H43 H 1.3921 0.7174 0.5412 0.067 Uiso 1 calc R . .
C44 C 1.4064(7) 0.8243(7) 0.4719(5) 0.072(2) Uani 1 d . . .
H44 H 1.5019 0.8581 0.4887 0.087 Uiso 1 calc R . .
C45 C 1.3320(7) 0.8602(7) 0.4150(5) 0.084(2) Uani 1 d . . .
H45 H 1.3774 0.9158 0.3918 0.100 Uiso 1 calc R . .
C46 C 1.1867(6) 0.8111(6) 0.3931(4) 0.0595(18) Uani 1 d . . .
H46 H 1.1341 0.8364 0.3573 0.071 Uiso 1 calc R . .
N1 N 0.9131(4) 1.0942(4) 0.3798(3) 0.0421(11) Uani 1 d . . .
H1A H 0.9219 1.0625 0.4196 0.051 Uiso 1 calc R . .
H1B H 0.9657 1.1618 0.3867 0.051 Uiso 1 calc R . .
N2 N 0.7427(5) 0.9337(4) 0.3050(3) 0.0397(11) Uani 1 d . . .
H2A H 0.763(5) 0.903(4) 0.345(3) 0.038(15) Uiso 1 d . . .
N3 N 0.6496(4) 0.8605(4) 0.2309(3) 0.0328(10) Uani 1 d . . .
N4 N 0.4692(5) 0.7117(4) 0.0844(3) 0.0391(11) Uani 1 d . . .
O1S O 0.9819(5) 0.4645(4) 0.3122(4) 0.0609(14) Uani 1 d . . .
H1S H 0.997(7) 0.439(6) 0.341(4) 0.05(2) Uiso 1 d . . .
C1S C 1.0804(9) 0.4634(8) 0.2494(5) 0.103(3) Uani 1 d . . .
H1S1 H 1.0996 0.3885 0.2285 0.154 Uiso 1 calc R . .
H1S2 H 1.1654 0.5220 0.2780 0.154 Uiso 1 calc R . .
H1S3 H 1.0426 0.4790 0.1992 0.154 Uiso 1 calc R . .
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'
Cl Cl 0.1484 0.1585 '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'
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
C21 Pb1 C11 172.58(18) . . ?
C21 Pb1 N3 92.88(15) . . ?
C11 Pb1 N3 82.53(15) . . ?
C21 Pb1 N4 86.26(16) . . ?
C11 Pb1 N4 86.42(16) . . ?
N3 Pb1 N4 61.67(12) . . ?
C21 Pb1 S 89.03(13) . . ?
C11 Pb1 S 94.68(14) . . ?
N3 Pb1 S 68.62(10) . . ?
N4 Pb1 S 129.70(9) . . ?
C21 Pb1 Cl1 95.02(13) . . ?
C11 Pb1 Cl1 92.13(12) . . ?
N3 Pb1 Cl1 143.05(9) . . ?
N4 Pb1 Cl1 154.82(9) . . ?
S Pb1 Cl1 75.48(4) . . ?
C21 Pb1 Cl1 92.24(12) . 2_675 ?
C11 Pb1 Cl1 87.72(13) . 2_675 ?
N3 Pb1 Cl1 140.88(10) . 2_675 ?
N4 Pb1 Cl1 80.03(9) . 2_675 ?
S Pb1 Cl1 150.25(4) . 2_675 ?
Cl1 Pb1 Cl1 74.80(4) . 2_675 ?
C41 Pb2 C31 166.49(19) . . ?
C41 Pb2 O1S 82.94(18) . . ?
C31 Pb2 O1S 85.46(17) . . ?
C41 Pb2 Cl4 95.55(14) . . ?
C31 Pb2 Cl4 90.93(13) . . ?
O1S Pb2 Cl4 87.95(14) . . ?
C41 Pb2 Cl3 94.91(14) . . ?
C31 Pb2 Cl3 96.94(13) . . ?
O1S Pb2 Cl3 176.85(13) . . ?
Cl4 Pb2 Cl3 89.97(4) . . ?
C41 Pb2 Cl2 87.56(13) . . ?
C31 Pb2 Cl2 87.48(13) . . ?
O1S Pb2 Cl2 99.24(14) . . ?
Cl4 Pb2 Cl2 172.49(5) . . ?
Cl3 Pb2 Cl2 82.94(4) . . ?
Pb1 Cl1 Pb1 105.20(4) . 2_675 ?
C1 S Pb1 103.78(18) . . ?
N1 C1 N2 114.4(4) . . ?
N1 C1 S 120.7(4) . . ?
N2 C1 S 124.9(4) . . ?
N3 C2 C3 120.9(5) . . ?
N4 C3 C4 122.6(5) . . ?
N4 C3 C2 116.7(5) . . ?
C4 C3 C2 120.7(5) . . ?
C3 C4 C5 119.7(6) . . ?
C6 C5 C4 118.2(6) . . ?
C5 C6 C7 119.3(6) . . ?
N4 C7 C6 123.5(6) . . ?
C16 C11 C12 121.7(5) . . ?
C16 C11 Pb1 118.8(4) . . ?
C12 C11 Pb1 119.5(4) . . ?
C11 C12 C13 118.4(5) . . ?
C14 C13 C12 120.5(6) . . ?
C15 C14 C13 119.7(5) . . ?
C14 C15 C16 120.7(6) . . ?
C11 C16 C15 119.0(5) . . ?
C22 C21 C26 121.2(5) . . ?
C22 C21 Pb1 120.3(4) . . ?
C26 C21 Pb1 118.1(4) . . ?
C21 C22 C23 118.7(5) . . ?
C24 C23 C22 121.1(6) . . ?
C25 C24 C23 119.0(5) . . ?
C24 C25 C26 121.2(5) . . ?
C21 C26 C25 118.7(5) . . ?
C36 C31 C32 121.2(5) . . ?
C36 C31 Pb2 119.7(4) . . ?
C32 C31 Pb2 119.1(4) . . ?
C31 C32 C33 119.5(5) . . ?
C34 C33 C32 119.4(5) . . ?
C35 C34 C33 120.3(5) . . ?
C34 C35 C36 119.9(5) . . ?
C31 C36 C35 119.7(5) . . ?
C46 C41 C42 120.8(5) . . ?
C46 C41 Pb2 118.6(4) . . ?
C42 C41 Pb2 120.6(4) . . ?
C41 C42 C43 119.7(6) . . ?
C44 C43 C42 120.7(6) . . ?
C43 C44 C45 120.4(6) . . ?
C44 C45 C46 118.9(7) . . ?
C41 C46 C45 119.4(6) . . ?
C1 N2 N3 121.6(4) . . ?
C2 N3 N2 117.3(4) . . ?
C2 N3 Pb1 121.8(3) . . ?
N2 N3 Pb1 120.4(3) . . ?
C7 N4 C3 116.6(5) . . ?
C7 N4 Pb1 125.5(4) . . ?
C3 N4 Pb1 117.8(3) . . ?
C1S O1S Pb2 120.1(5) . . ?
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
Pb1 C21 2.179(5) . ?
Pb1 C11 2.180(5) . ?
Pb1 N3 2.605(4) . ?
Pb1 N4 2.686(4) . ?
Pb1 S 2.7890(14) . ?
Pb1 Cl1 2.7898(14) . ?
Pb1 Cl1 2.9111(13) 2_675 ?
Pb2 C41 2.166(5) . ?
Pb2 C31 2.167(5) . ?
Pb2 O1S 2.555(5) . ?
Pb2 Cl4 2.6319(14) . ?
Pb2 Cl3 2.6670(14) . ?
Pb2 Cl2 2.8149(15) . ?
Cl1 Pb1 2.9111(13) 2_675 ?
S C1 1.681(5) . ?
C1 N1 1.318(6) . ?
C1 N2 1.350(6) . ?
C2 N3 1.260(6) . ?
C2 C3 1.454(7) . ?
C3 N4 1.355(6) . ?
C3 C4 1.367(7) . ?
C4 C5 1.382(8) . ?
C5 C6 1.361(9) . ?
C6 C7 1.378(8) . ?
C7 N4 1.336(7) . ?
C11 C16 1.367(7) . ?
C11 C12 1.375(7) . ?
C12 C13 1.390(7) . ?
C13 C14 1.376(8) . ?
C14 C15 1.368(8) . ?
C15 C16 1.380(7) . ?
C21 C22 1.366(7) . ?
C21 C26 1.379(7) . ?
C22 C23 1.384(8) . ?
C23 C24 1.379(8) . ?
C24 C25 1.358(8) . ?
C25 C26 1.385(7) . ?
C31 C36 1.373(7) . ?
C31 C32 1.377(7) . ?
C32 C33 1.395(7) . ?
C33 C34 1.392(8) . ?
C34 C35 1.382(8) . ?
C35 C36 1.389(7) . ?
C41 C46 1.358(7) . ?
C41 C42 1.372(7) . ?
C42 C43 1.376(8) . ?
C43 C44 1.349(9) . ?
C44 C45 1.386(9) . ?
C45 C46 1.408(8) . ?
N2 N3 1.374(6) . ?
O1S C1S 1.422(9) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2A Cl3 0.87(5) 2.28(5) 3.144(4) 173(4) .
O1S H1S Cl2 0.66(6) 2.46(6) 3.107(5) 166(7) 2_766
N1 H1B Cl2 0.86 2.45 3.292(5) 168.1 2_776
N1 H1A Cl3 0.86 2.83 3.311(4) 117.3 2_776
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
C21 Pb1 Cl1 Pb1 90.97(13) . . . 2_675 ?
C11 Pb1 Cl1 Pb1 -87.06(13) . . . 2_675 ?
N3 Pb1 Cl1 Pb1 -167.45(15) . . . 2_675 ?
N4 Pb1 Cl1 Pb1 -0.9(2) . . . 2_675 ?
S Pb1 Cl1 Pb1 178.65(5) . . . 2_675 ?
Cl1 Pb1 Cl1 Pb1 0.0 2_675 . . 2_675 ?
C21 Pb1 S C1 -96.3(2) . . . . ?
C11 Pb1 S C1 77.3(2) . . . . ?
N3 Pb1 S C1 -2.78(19) . . . . ?
N4 Pb1 S C1 -11.9(2) . . . . ?
Cl1 Pb1 S C1 168.30(18) . . . . ?
Cl1 Pb1 S C1 170.92(17) 2_675 . . . ?
Pb1 S C1 N1 -179.9(4) . . . . ?
Pb1 S C1 N2 -0.7(5) . . . . ?
N3 C2 C3 N4 -2.2(8) . . . . ?
N3 C2 C3 C4 176.8(5) . . . . ?
N4 C3 C4 C5 0.2(10) . . . . ?
C2 C3 C4 C5 -178.7(6) . . . . ?
C3 C4 C5 C6 1.1(11) . . . . ?
C4 C5 C6 C7 -1.5(11) . . . . ?
C5 C6 C7 N4 0.5(11) . . . . ?
C21 Pb1 C11 C16 133.8(12) . . . . ?
N3 Pb1 C11 C16 81.7(4) . . . . ?
N4 Pb1 C11 C16 143.6(4) . . . . ?
S Pb1 C11 C16 14.0(4) . . . . ?
Cl1 Pb1 C11 C16 -61.6(4) . . . . ?
Cl1 Pb1 C11 C16 -136.3(4) 2_675 . . . ?
C21 Pb1 C11 C12 -45.4(14) . . . . ?
N3 Pb1 C11 C12 -97.5(4) . . . . ?
N4 Pb1 C11 C12 -35.6(4) . . . . ?
S Pb1 C11 C12 -165.2(4) . . . . ?
Cl1 Pb1 C11 C12 119.2(4) . . . . ?
Cl1 Pb1 C11 C12 44.5(4) 2_675 . . . ?
C16 C11 C12 C13 -0.5(8) . . . . ?
Pb1 C11 C12 C13 178.7(4) . . . . ?
C11 C12 C13 C14 -0.1(8) . . . . ?
C12 C13 C14 C15 0.2(9) . . . . ?
C13 C14 C15 C16 0.3(9) . . . . ?
C12 C11 C16 C15 0.9(8) . . . . ?
Pb1 C11 C16 C15 -178.3(4) . . . . ?
C14 C15 C16 C11 -0.8(8) . . . . ?
C11 Pb1 C21 C22 134.2(12) . . . . ?
N3 Pb1 C21 C22 -174.2(5) . . . . ?
N4 Pb1 C21 C22 124.4(5) . . . . ?
S Pb1 C21 C22 -105.7(4) . . . . ?
Cl1 Pb1 C21 C22 -30.4(5) . . . . ?
Cl1 Pb1 C21 C22 44.6(4) 2_675 . . . ?
C11 Pb1 C21 C26 -51.8(15) . . . . ?
N3 Pb1 C21 C26 -0.2(4) . . . . ?
N4 Pb1 C21 C26 -61.6(4) . . . . ?
S Pb1 C21 C26 68.3(4) . . . . ?
Cl1 Pb1 C21 C26 143.7(4) . . . . ?
Cl1 Pb1 C21 C26 -141.4(4) 2_675 . . . ?
C26 C21 C22 C23 -1.9(9) . . . . ?
Pb1 C21 C22 C23 172.0(5) . . . . ?
C21 C22 C23 C24 0.8(11) . . . . ?
C22 C23 C24 C25 1.3(11) . . . . ?
C23 C24 C25 C26 -2.5(10) . . . . ?
C22 C21 C26 C25 0.8(9) . . . . ?
Pb1 C21 C26 C25 -173.2(4) . . . . ?
C24 C25 C26 C21 1.5(9) . . . . ?
C41 Pb2 C31 C36 117.8(8) . . . . ?
O1S Pb2 C31 C36 148.7(4) . . . . ?
Cl4 Pb2 C31 C36 -123.4(4) . . . . ?
Cl3 Pb2 C31 C36 -33.3(4) . . . . ?
Cl2 Pb2 C31 C36 49.3(4) . . . . ?
C41 Pb2 C31 C32 -63.0(9) . . . . ?
O1S Pb2 C31 C32 -32.0(4) . . . . ?
Cl4 Pb2 C31 C32 55.8(4) . . . . ?
Cl3 Pb2 C31 C32 145.9(4) . . . . ?
Cl2 Pb2 C31 C32 -131.5(4) . . . . ?
C36 C31 C32 C33 -1.3(8) . . . . ?
Pb2 C31 C32 C33 179.5(4) . . . . ?
C31 C32 C33 C34 0.6(9) . . . . ?
C32 C33 C34 C35 0.3(9) . . . . ?
C33 C34 C35 C36 -0.6(9) . . . . ?
C32 C31 C36 C35 1.0(8) . . . . ?
Pb2 C31 C36 C35 -179.8(4) . . . . ?
C34 C35 C36 C31 -0.1(9) . . . . ?
C31 Pb2 C41 C46 148.3(7) . . . . ?
O1S Pb2 C41 C46 117.2(5) . . . . ?
Cl4 Pb2 C41 C46 30.0(5) . . . . ?
Cl3 Pb2 C41 C46 -60.5(5) . . . . ?
Cl2 Pb2 C41 C46 -143.2(5) . . . . ?
C31 Pb2 C41 C42 -30.5(10) . . . . ?
O1S Pb2 C41 C42 -61.6(4) . . . . ?
Cl4 Pb2 C41 C42 -148.8(4) . . . . ?
Cl3 Pb2 C41 C42 120.7(4) . . . . ?
Cl2 Pb2 C41 C42 38.0(4) . . . . ?
C46 C41 C42 C43 1.5(9) . . . . ?
Pb2 C41 C42 C43 -179.7(4) . . . . ?
C41 C42 C43 C44 -2.1(9) . . . . ?
C42 C43 C44 C45 0.1(11) . . . . ?
C43 C44 C45 C46 2.3(12) . . . . ?
C42 C41 C46 C45 1.0(9) . . . . ?
Pb2 C41 C46 C45 -177.8(5) . . . . ?
C44 C45 C46 C41 -2.9(11) . . . . ?
N1 C1 N2 N3 -173.6(4) . . . . ?
S C1 N2 N3 7.1(7) . . . . ?
C3 C2 N3 N2 -177.6(5) . . . . ?
C3 C2 N3 Pb1 10.6(7) . . . . ?
C1 N2 N3 C2 177.9(5) . . . . ?
C1 N2 N3 Pb1 -10.2(6) . . . . ?
C21 Pb1 N3 C2 -93.8(4) . . . . ?
C11 Pb1 N3 C2 80.3(4) . . . . ?
N4 Pb1 N3 C2 -9.6(4) . . . . ?
S Pb1 N3 C2 178.3(4) . . . . ?
Cl1 Pb1 N3 C2 163.9(3) . . . . ?
Cl1 Pb1 N3 C2 3.3(5) 2_675 . . . ?
C21 Pb1 N3 N2 94.7(4) . . . . ?
C11 Pb1 N3 N2 -91.2(4) . . . . ?
N4 Pb1 N3 N2 178.8(4) . . . . ?
S Pb1 N3 N2 6.8(3) . . . . ?
Cl1 Pb1 N3 N2 -7.6(4) . . . . ?
Cl1 Pb1 N3 N2 -168.2(3) 2_675 . . . ?
C6 C7 N4 C3 0.8(9) . . . . ?
C6 C7 N4 Pb1 -174.2(5) . . . . ?
C4 C3 N4 C7 -1.2(8) . . . . ?
C2 C3 N4 C7 177.8(5) . . . . ?
C4 C3 N4 Pb1 174.3(4) . . . . ?
C2 C3 N4 Pb1 -6.7(6) . . . . ?
C21 Pb1 N4 C7 -81.7(5) . . . . ?
C11 Pb1 N4 C7 99.6(5) . . . . ?
N3 Pb1 N4 C7 -177.0(5) . . . . ?
S Pb1 N4 C7 -167.3(4) . . . . ?
Cl1 Pb1 N4 C7 12.2(6) . . . . ?
Cl1 Pb1 N4 C7 11.3(5) 2_675 . . . ?
C21 Pb1 N4 C3 103.3(4) . . . . ?
C11 Pb1 N4 C3 -75.4(4) . . . . ?
N3 Pb1 N4 C3 8.0(3) . . . . ?
S Pb1 N4 C3 17.7(4) . . . . ?
Cl1 Pb1 N4 C3 -162.9(3) . . . . ?
Cl1 Pb1 N4 C3 -163.8(4) 2_675 . . . ?
C41 Pb2 O1S C1S -55.2(5) . . . . ?
C31 Pb2 O1S C1S 131.8(5) . . . . ?
Cl4 Pb2 O1S C1S 40.7(5) . . . . ?
Cl3 Pb2 O1S C1S -8(3) . . . . ?
Cl2 Pb2 O1S C1S -141.5(5) . . . . ?
