#------------------------------------------------------------------------------
#$Date: 2018-03-15 17:33:54 +0100 (jue 15 de mar de 2018) $
#$Revision: 206958 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/46/7004695.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_7004695
loop_
_publ_author_name
'Pedrido, Rosa'
'González-Noya, Ana M.'
'Romero, Maria J.'
'Martínez-Calvo, Miguel'
'Vázquez López, Miguel'
'Gómez-Fórneas, Esther'
'Zaragoza, Guillermo'
'Bermejo, Manuel R.'
_publ_section_title
;
 Pentadentate thiosemicarbazones as versatile chelating systems. A
 comparative structural study of their metallic complexes
;
_journal_issue                   47
_journal_name_full               'Dalton Transactions'
_journal_page_first              6776
_journal_page_last               6787
_journal_paper_doi               10.1039/b810601k
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C17 H27 N7 O Pb S3'
_chemical_formula_sum            'C17 H27 N7 O Pb S3'
_chemical_formula_weight         648.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-08-13T13:26:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                104.716(2)
_cell_angle_beta                 91.567(2)
_cell_angle_gamma                98.443(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7498(3)
_cell_length_b                   10.0206(3)
_cell_length_c                   13.6415(4)
_cell_measurement_reflns_used    1999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.91
_cell_measurement_theta_min      2.28
_cell_measurement_wavelength     0.71073
_cell_volume                     1141.68(6)
_computing_cell_refinement       'APPEX2 (BRUKER AXS, 2005)'
_computing_data_collection       'APPEX2 (BRUKER AXS, 2005)'
_computing_data_reduction        'APPEX2 (BRUKER AXS, 2005)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (Beurskens et all, 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'BRUKER APPEX-II CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0274
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            28749
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    7.687
_exptl_absorpt_correction_T_max  0.22
_exptl_absorpt_correction_T_min  0.12
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.887
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         4668
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.019
_refine_ls_R_factor_gt           0.0171
_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)+(0.0144P)²+0.7840P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0368
_refine_ls_wR_factor_ref         0.0373
_reflns_number_gt                4415
_reflns_number_total             4668
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b810601k.txt
_cod_data_source_block           be82rp1n
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

2018-03-12
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C34 H54 N14 O2 Pb2 S6'
_cod_original_formula_weight         1297.73
_cod_original_formula_moiety         'C34 H54 N14 O2 Pb2 S6'
_cod_original_formula_units_Z            1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004695
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.048831(11) 0.424199(10) 0.300820(7) 0.00742(4) Uani 1 1 d . . .
N4 N -0.0150(3) 0.6552(2) 0.27283(17) 0.0100(5) Uani 1 1 d . . .
C6 C -0.0803(3) 0.7418(3) 0.3468(2) 0.0095(6) Uani 1 1 d . . .
C7 C -0.0750(3) 0.8827(3) 0.3483(2) 0.0141(6) Uani 1 1 d . . .
H7 H -0.1213 0.9432 0.4002 0.017 Uiso 1 1 calc R . .
C8 C -0.0016(3) 0.9325(3) 0.2734(2) 0.0141(6) Uani 1 1 d . . .
H8 H 0.0024 1.0277 0.2733 0.017 Uiso 1 1 calc R . .
C9 C 0.0657(3) 0.8441(3) 0.1987(2) 0.0135(6) Uani 1 1 d . . .
H9 H 0.1169 0.8776 0.1471 0.016 Uiso 1 1 calc R . .
C10 C 0.0576(3) 0.7046(3) 0.2003(2) 0.0099(6) Uani 1 1 d . . .
C5 C -0.1552(3) 0.6809(3) 0.4243(2) 0.0104(6) Uani 1 1 d . . .
N3 N -0.1504(2) 0.5493(2) 0.41542(16) 0.0084(5) Uani 1 1 d . . .
N2 N -0.2137(3) 0.4975(2) 0.49132(16) 0.0100(5) Uani 1 1 d . . .
C3 C -0.2324(3) 0.3578(3) 0.4728(2) 0.0094(6) Uani 1 1 d . . .
S1 S -0.18373(8) 0.23995(7) 0.36664(5) 0.01173(14) Uani 1 1 d . . .
N1 N -0.3009(3) 0.3102(3) 0.54743(18) 0.0118(5) Uani 1 1 d . . .
C2 C -0.3287(3) 0.1653(3) 0.5511(2) 0.0167(6) Uani 1 1 d . . .
H2A H -0.2287 0.1314 0.5558 0.02 Uiso 1 1 calc R . .
H2B H -0.3882 0.1071 0.4882 0.02 Uiso 1 1 calc R . .
C1 C -0.4186(3) 0.1526(3) 0.6424(2) 0.0192(7) Uani 1 1 d . . .
H1A H -0.3609 0.2127 0.7044 0.029 Uiso 1 1 calc R . .
H1B H -0.4335 0.0553 0.6464 0.029 Uiso 1 1 calc R . .
H1C H -0.5198 0.1816 0.6357 0.029 Uiso 1 1 calc R . .
C4 C -0.2309(3) 0.7674(3) 0.5091(2) 0.0147(6) Uani 1 1 d . . .
H4A H -0.3273 0.7127 0.5216 0.022 Uiso 1 1 calc R . .
H4B H -0.254 0.8511 0.4907 0.022 Uiso 1 1 calc R . .
H4C H -0.161 0.7953 0.5707 0.022 Uiso 1 1 calc R . .
C12 C 0.1289(3) 0.6050(3) 0.1235(2) 0.0100(6) Uani 1 1 d . . .
N5 N 0.0968(3) 0.4752(2) 0.12490(16) 0.0102(5) Uani 1 1 d . . .
N6 N 0.1655(3) 0.3832(2) 0.05427(17) 0.0113(5) Uani 1 1 d . . .
C13 C 0.1208(3) 0.2521(3) 0.0543(2) 0.0110(6) Uani 1 1 d . . .
S2 S -0.01821(8) 0.18639(7) 0.12711(5) 0.01243(15) Uani 1 1 d . . .
N7 N 0.1934(3) 0.1574(3) -0.00904(18) 0.0128(5) Uani 1 1 d . . .
C14 C 0.3071(3) 0.1977(3) -0.0767(2) 0.0147(6) Uani 1 1 d . . .
H14A H 0.3877 0.2736 -0.0372 0.018 Uiso 1 1 calc R . .
H14B H 0.2558 0.2329 -0.1284 0.018 Uiso 1 1 calc R . .
C15 C 0.3811(4) 0.0735(3) -0.1284(2) 0.0229(7) Uani 1 1 d . . .
H15A H 0.4324 0.0393 -0.0771 0.034 Uiso 1 1 calc R . .
H15B H 0.4577 0.1015 -0.1735 0.034 Uiso 1 1 calc R . .
H15C H 0.3013 -0.001 -0.1683 0.034 Uiso 1 1 calc R . .
C11 C 0.2341(3) 0.6546(3) 0.0510(2) 0.0143(6) Uani 1 1 d . . .
H11A H 0.3051 0.5877 0.0281 0.021 Uiso 1 1 calc R . .
H11B H 0.2938 0.7462 0.0851 0.021 Uiso 1 1 calc R . .
H11C H 0.1723 0.6625 -0.0077 0.021 Uiso 1 1 calc R . .
S1D S 0.50158(8) 0.39958(8) 0.28885(5) 0.01638(16) Uani 1 1 d . . .
O1D O 0.3765(2) 0.4867(2) 0.28165(15) 0.0194(5) Uani 1 1 d . . .
C1D C 0.4147(4) 0.2220(3) 0.2365(2) 0.0231(7) Uani 1 1 d . . .
H1D1 H 0.3359 0.1953 0.2806 0.035 Uiso 1 1 calc R . .
H1D2 H 0.4943 0.1616 0.2313 0.035 Uiso 1 1 calc R . .
H1D3 H 0.3663 0.2115 0.1688 0.035 Uiso 1 1 calc R . .
C2D C 0.6184(4) 0.4149(4) 0.1856(2) 0.0257(8) Uani 1 1 d . . .
H2D1 H 0.5516 0.3988 0.1235 0.038 Uiso 1 1 calc R . .
H2D2 H 0.6884 0.3454 0.1757 0.038 Uiso 1 1 calc R . .
H2D3 H 0.6793 0.5088 0.2009 0.038 Uiso 1 1 calc R . .
H7A H 0.154(4) 0.076(3) -0.022(2) 0.012(8) Uiso 1 1 d . . .
H1 H -0.332(4) 0.375(3) 0.593(2) 0.019(9) Uiso 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 0 '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 0.006 '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'
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
_geom_angle_publ_flag
N4 Pb1 N5 61.65(7) . . ?
N4 Pb1 N3 61.84(7) . . ?
N5 Pb1 N3 119.48(7) . . ?
N4 Pb1 S1 119.71(5) . . ?
N5 Pb1 S1 132.75(5) . . ?
N3 Pb1 S1 65.42(5) . . ?
N4 Pb1 S2 115.23(5) . . ?
N5 Pb1 S2 64.29(5) . . ?
N3 Pb1 S2 127.24(5) . . ?
S1 Pb1 S2 76.60(2) . . ?
C10 N4 C6 120.0(2) . . ?
C10 N4 Pb1 117.70(17) . . ?
C6 N4 Pb1 119.37(16) . . ?
N4 C6 C7 120.6(2) . . ?
N4 C6 C5 116.9(2) . . ?
C7 C6 C5 122.5(2) . . ?
C8 C7 C6 119.1(3) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C9 C8 C7 120.0(3) . . ?
C9 C8 H8 120 . . ?
C7 C8 H8 120 . . ?
C8 C9 C10 118.8(3) . . ?
C8 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
N4 C10 C9 121.4(2) . . ?
N4 C10 C12 117.1(2) . . ?
C9 C10 C12 121.6(2) . . ?
N3 C5 C6 116.6(2) . . ?
N3 C5 C4 122.2(2) . . ?
C6 C5 C4 121.2(2) . . ?
C5 N3 N2 115.3(2) . . ?
C5 N3 Pb1 120.09(17) . . ?
N2 N3 Pb1 121.23(15) . . ?
C3 N2 N3 114.6(2) . . ?
N2 C3 N1 113.0(2) . . ?
N2 C3 S1 127.6(2) . . ?
N1 C3 S1 119.4(2) . . ?
C3 S1 Pb1 98.43(9) . . ?
C3 N1 C2 125.4(2) . . ?
C3 N1 H1 113(2) . . ?
C2 N1 H1 122(2) . . ?
N1 C2 C1 109.6(2) . . ?
N1 C2 H2A 109.7 . . ?
C1 C2 H2A 109.7 . . ?
N1 C2 H2B 109.7 . . ?
C1 C2 H2B 109.7 . . ?
H2A C2 H2B 108.2 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C5 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N5 C12 C10 115.8(2) . . ?
N5 C12 C11 123.4(2) . . ?
C10 C12 C11 120.8(2) . . ?
C12 N5 N6 115.6(2) . . ?
C12 N5 Pb1 117.13(17) . . ?
N6 N5 Pb1 118.70(15) . . ?
C13 N6 N5 113.0(2) . . ?
N6 C13 N7 115.5(2) . . ?
N6 C13 S2 127.8(2) . . ?
N7 C13 S2 116.7(2) . . ?
C13 S2 Pb1 94.69(10) . . ?
C13 N7 C14 122.1(2) . . ?
C13 N7 H7A 118(2) . . ?
C14 N7 H7A 117(2) . . ?
N7 C14 C15 110.0(2) . . ?
N7 C14 H14A 109.7 . . ?
C15 C14 H14A 109.7 . . ?
N7 C14 H14B 109.7 . . ?
C15 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O1D S1D C1D 106.14(14) . . ?
O1D S1D C2D 104.48(14) . . ?
C1D S1D C2D 96.81(16) . . ?
S1D C1D H1D1 109.5 . . ?
S1D C1D H1D2 109.5 . . ?
H1D1 C1D H1D2 109.5 . . ?
S1D C1D H1D3 109.5 . . ?
H1D1 C1D H1D3 109.5 . . ?
H1D2 C1D H1D3 109.5 . . ?
S1D C2D H2D1 109.5 . . ?
S1D C2D H2D2 109.5 . . ?
H2D1 C2D H2D2 109.5 . . ?
S1D C2D H2D3 109.5 . . ?
H2D1 C2D H2D3 109.5 . . ?
H2D2 C2D H2D3 109.5 . . ?
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 N4 2.575(2) . ?
Pb1 N5 2.610(2) . ?
Pb1 N3 2.617(2) . ?
Pb1 S1 2.8626(7) . ?
Pb1 S2 2.8779(7) . ?
N4 C10 1.348(3) . ?
N4 C6 1.352(3) . ?
C6 C7 1.401(4) . ?
C6 C5 1.473(4) . ?
C7 C8 1.381(4) . ?
C7 H7 0.95 . ?
C8 C9 1.377(4) . ?
C8 H8 0.95 . ?
C9 C10 1.396(4) . ?
C9 H9 0.95 . ?
C10 C12 1.473(4) . ?
C5 N3 1.301(3) . ?
C5 C4 1.493(4) . ?
N3 N2 1.367(3) . ?
N2 C3 1.342(3) . ?
C3 N1 1.349(3) . ?
C3 S1 1.728(3) . ?
N1 C2 1.450(4) . ?
N1 H1 0.86(3) . ?
C2 C1 1.515(4) . ?
C2 H2A 0.99 . ?
C2 H2B 0.99 . ?
C1 H1A 0.98 . ?
C1 H1B 0.98 . ?
C1 H1C 0.98 . ?
C4 H4A 0.98 . ?
C4 H4B 0.98 . ?
C4 H4C 0.98 . ?
C12 N5 1.296(3) . ?
C12 C11 1.496(4) . ?
N5 N6 1.372(3) . ?
N6 C13 1.315(4) . ?
C13 N7 1.357(4) . ?
C13 S2 1.750(3) . ?
N7 C14 1.458(4) . ?
N7 H7A 0.81(3) . ?
C14 C15 1.511(4) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
S1D O1D 1.512(2) . ?
S1D C1D 1.784(3) . ?
S1D C2D 1.788(3) . ?
C1D H1D1 0.98 . ?
C1D H1D2 0.98 . ?
C1D H1D3 0.98 . ?
C2D H2D1 0.98 . ?
C2D H2D2 0.98 . ?
C2D H2D3 0.98 . ?
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
N7 H7A S2 0.81(3) 2.73(3) 3.508(3) 162(3) 2
N1 H1 O1D 0.86(3) 1.99(3) 2.844(3) 168(3) 2_566
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
N5 Pb1 N4 C10 -23.11(18) . . . . ?
N3 Pb1 N4 C10 179.5(2) . . . . ?
S1 Pb1 N4 C10 -148.58(17) . . . . ?
S2 Pb1 N4 C10 -60.1(2) . . . . ?
N5 Pb1 N4 C6 176.1(2) . . . . ?
N3 Pb1 N4 C6 18.74(18) . . . . ?
S1 Pb1 N4 C6 50.7(2) . . . . ?
S2 Pb1 N4 C6 139.17(18) . . . . ?
C10 N4 C6 C7 0.7(4) . . . . ?
Pb1 N4 C6 C7 161.0(2) . . . . ?
C10 N4 C6 C5 -179.0(2) . . . . ?
Pb1 N4 C6 C5 -18.7(3) . . . . ?
N4 C6 C7 C8 -0.2(4) . . . . ?
C5 C6 C7 C8 179.5(3) . . . . ?
C6 C7 C8 C9 -0.3(4) . . . . ?
C7 C8 C9 C10 0.3(4) . . . . ?
C6 N4 C10 C9 -0.8(4) . . . . ?
Pb1 N4 C10 C9 -161.4(2) . . . . ?
C6 N4 C10 C12 178.7(2) . . . . ?
Pb1 N4 C10 C12 18.1(3) . . . . ?
C8 C9 C10 N4 0.3(4) . . . . ?
C8 C9 C10 C12 -179.2(3) . . . . ?
N4 C6 C5 N3 0.7(4) . . . . ?
C7 C6 C5 N3 -179.0(2) . . . . ?
N4 C6 C5 C4 -179.9(2) . . . . ?
C7 C6 C5 C4 0.4(4) . . . . ?
C6 C5 N3 N2 176.8(2) . . . . ?
C4 C5 N3 N2 -2.6(4) . . . . ?
C6 C5 N3 Pb1 17.4(3) . . . . ?
C4 C5 N3 Pb1 -162.0(2) . . . . ?
N4 Pb1 N3 C5 -18.84(19) . . . . ?
N5 Pb1 N3 C5 -41.7(2) . . . . ?
S1 Pb1 N3 C5 -168.5(2) . . . . ?
S2 Pb1 N3 C5 -120.40(19) . . . . ?
N4 Pb1 N3 N2 -177.0(2) . . . . ?
N5 Pb1 N3 N2 160.15(17) . . . . ?
S1 Pb1 N3 N2 33.36(17) . . . . ?
S2 Pb1 N3 N2 81.46(18) . . . . ?
C5 N3 N2 C3 169.1(2) . . . . ?
Pb1 N3 N2 C3 -31.8(3) . . . . ?
N3 N2 C3 N1 -177.5(2) . . . . ?
N3 N2 C3 S1 0.9(3) . . . . ?
N2 C3 S1 Pb1 23.5(2) . . . . ?
N1 C3 S1 Pb1 -158.2(2) . . . . ?
N4 Pb1 S1 C3 -53.70(11) . . . . ?
N5 Pb1 S1 C3 -131.17(11) . . . . ?
N3 Pb1 S1 C3 -22.86(10) . . . . ?
S2 Pb1 S1 C3 -165.33(9) . . . . ?
N2 C3 N1 C2 -176.6(2) . . . . ?
S1 C3 N1 C2 4.9(4) . . . . ?
C3 N1 C2 C1 -175.7(3) . . . . ?
N4 C10 C12 N5 9.1(4) . . . . ?
C9 C10 C12 N5 -171.4(2) . . . . ?
N4 C10 C12 C11 -169.6(2) . . . . ?
C9 C10 C12 C11 9.9(4) . . . . ?
C10 C12 N5 N6 -179.0(2) . . . . ?
C11 C12 N5 N6 -0.3(4) . . . . ?
C10 C12 N5 Pb1 -31.5(3) . . . . ?
C11 C12 N5 Pb1 147.2(2) . . . . ?
N4 Pb1 N5 C12 28.73(18) . . . . ?
N3 Pb1 N5 C12 51.6(2) . . . . ?
S1 Pb1 N5 C12 134.29(17) . . . . ?
S2 Pb1 N5 C12 171.6(2) . . . . ?
N4 Pb1 N5 N6 175.2(2) . . . . ?
N3 Pb1 N5 N6 -161.91(17) . . . . ?
S1 Pb1 N5 N6 -79.27(19) . . . . ?
S2 Pb1 N5 N6 -41.95(17) . . . . ?
C12 N5 N6 C13 -175.6(2) . . . . ?
Pb1 N5 N6 C13 37.5(3) . . . . ?
N5 N6 C13 N7 -175.5(2) . . . . ?
N5 N6 C13 S2 3.6(3) . . . . ?
N6 C13 S2 Pb1 -33.5(3) . . . . ?
N7 C13 S2 Pb1 145.5(2) . . . . ?
N4 Pb1 S2 C13 65.78(10) . . . . ?
N5 Pb1 S2 C13 29.82(10) . . . . ?
N3 Pb1 S2 C13 138.50(10) . . . . ?
S1 Pb1 S2 C13 -177.41(9) . . . . ?
N6 C13 N7 C14 -3.3(4) . . . . ?
S2 C13 N7 C14 177.6(2) . . . . ?
C13 N7 C14 C15 173.4(3) . . . . ?
