# Supplementary Information (SI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 2502797'
loop_
_audit_author_name
_audit_author_address
'Damir Safin'
;Tyumen State University
Russia
;
_audit_update_record             
;
2025-11-13 deposited with the CCDC.	2026-02-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C13 H18 Cl N13 O7 Pb2 S2'
_chemical_formula_sum            'C13 H18 Cl N13 O7 Pb2 S2'
_chemical_formula_weight         982.35

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'
Cl Cl 0.1484 0.1585 '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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7827(4)
_cell_length_b                   11.0949(5)
_cell_length_c                   12.8327(6)
_cell_angle_alpha                64.981(2)
_cell_angle_beta                 77.088(2)
_cell_angle_gamma                85.954(2)
_cell_volume                     1229.78(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9626
_cell_measurement_theta_min      2.73
_cell_measurement_theta_max      30.62

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.653
_exptl_crystal_F_000             912
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    14.016
_shelx_estimated_absorpt_T_min   0.335
_shelx_estimated_absorpt_T_max   0.604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   SADABS

_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON III-14'
_diffrn_measurement_method       'omega and phi'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            78327
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.137
_diffrn_reflns_theta_max         30.506
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7500
_reflns_number_gt                6734
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX4 Software (Bruker, 2021)'
_computing_cell_refinement       'APEX4 Software (Bruker, 2021)'
_computing_data_reduction        'APEX4 Software (Bruker, 2021)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
'Diamond (Brandenburg, 1999, Crystal impact GbR)'
_computing_publication_material  'Wingx Version 2018.3 (Farrugia, 2012)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0008P)²+2.1481P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7500
_refine_ls_number_parameters     370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0197
_refine_ls_R_factor_gt           0.0149
_refine_ls_wR_factor_ref         0.0284
_refine_ls_wR_factor_gt          0.0272
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.48880(2) 0.10315(2) 0.68799(2) 0.01046(2) Uani 1 1 d . . . . .
Pb2 Pb 0.23502(2) 0.06840(2) 1.01822(2) 0.00892(2) Uani 1 1 d . . . . .
S1 S 0.52806(6) 0.13430(5) 0.88088(5) 0.01032(10) Uani 1 1 d . . . . .
S2 S 0.24254(6) -0.09166(5) 0.89975(5) 0.01076(10) Uani 1 1 d . . . . .
O1 O 0.71772(17) 0.23386(16) 0.60769(15) 0.0152(3) Uani 1 1 d . . . . .
O2 O 0.78943(18) 0.04124(17) 0.69793(16) 0.0193(4) Uani 1 1 d . . . . .
N1 N 0.2521(2) 0.22591(19) 0.58958(18) 0.0130(4) Uani 1 1 d . . . . .
N2 N 0.42986(19) 0.32525(19) 0.67393(17) 0.0110(4) Uani 1 1 d . . . . .
N3 N 0.5047(2) 0.38852(19) 0.71886(17) 0.0121(4) Uani 1 1 d . . . . .
N4 N 0.6282(2) 0.3621(2) 0.8575(2) 0.0158(4) Uani 1 1 d . . . . .
H4A H 0.630(3) 0.451(3) 0.832(3) 0.019 Uiso 1 1 d . U . . .
H4B H 0.650(3) 0.315(3) 0.920(3) 0.019 Uiso 1 1 d . U . . .
N5 N 0.3384(2) 0.5359(2) 0.5907(2) 0.0161(4) Uani 1 1 d . . . . .
H5A H 0.392(3) 0.566(3) 0.618(3) 0.019 Uiso 1 1 d . U . . .
H5B H 0.304(3) 0.588(3) 0.544(3) 0.019 Uiso 1 1 d . U . . .
N6 N 0.1173(2) 0.4013(2) 0.41388(19) 0.0164(4) Uani 1 1 d . . . . .
N7 N 0.8185(2) 0.1618(2) 0.64541(18) 0.0160(4) Uani 1 1 d . . . . .
N21 N 0.21378(19) 0.33790(18) 0.90974(17) 0.0109(4) Uani 1 1 d . . . . .
N22 N 0.08411(19) 0.15468(18) 0.87476(17) 0.0095(3) Uani 1 1 d . . . . .
N23 N 0.01954(19) 0.07052(18) 0.84301(17) 0.0095(3) Uani 1 1 d . . . . .
N24 N 0.0276(2) -0.1178(2) 0.81440(19) 0.0144(4) Uani 1 1 d . . . . .
H24A H 0.059(3) -0.196(3) 0.825(3) 0.017 Uiso 1 1 d . U . . .
H24B H -0.042(3) -0.087(3) 0.782(3) 0.017 Uiso 1 1 d . U . . .
N25 N -0.0390(2) 0.3213(2) 0.75085(19) 0.0143(4) Uani 1 1 d . . . . .
H25A H -0.056(3) 0.405(3) 0.716(3) 0.017 Uiso 1 1 d . U . . .
H25B H -0.073(3) 0.279(3) 0.736(3) 0.017 Uiso 1 1 d . U . . .
N26 N 0.1081(2) 0.59335(19) 0.85452(18) 0.0147(4) Uani 1 1 d . . . . .
C1 C 0.1672(2) 0.1825(2) 0.5441(2) 0.0148(4) Uani 1 1 d . . . . .
H1 H 0.152758 0.089346 0.571320 0.018 Uiso 1 1 calc R U . . .
C2 C 0.0991(2) 0.2696(2) 0.4575(2) 0.0155(5) Uani 1 1 d . . . . .
H2 H 0.037907 0.234218 0.428842 0.019 Uiso 1 1 calc R U . . .
C3 C 0.2011(3) 0.4452(2) 0.4607(2) 0.0155(5) Uani 1 1 d . . . . .
H3 H 0.216426 0.538303 0.432539 0.019 Uiso 1 1 calc R U . . .
C4 C 0.2665(2) 0.3587(2) 0.5494(2) 0.0122(4) Uani 1 1 d . . . . .
C5 C 0.3513(2) 0.4085(2) 0.6062(2) 0.0117(4) Uani 1 1 d . . . . .
C6 C 0.5530(2) 0.3091(2) 0.8098(2) 0.0115(4) Uani 1 1 d . . . . .
C21 C 0.2737(2) 0.4285(2) 0.9296(2) 0.0133(4) Uani 1 1 d . . . . .
H21 H 0.353369 0.405185 0.964362 0.016 Uiso 1 1 calc R U . . .
C22 C 0.2222(2) 0.5561(2) 0.9005(2) 0.0151(5) Uani 1 1 d . . . . .
H22 H 0.269413 0.618543 0.913705 0.018 Uiso 1 1 calc R U . . .
C23 C 0.0492(2) 0.5032(2) 0.8331(2) 0.0130(4) Uani 1 1 d . . . . .
H23 H -0.031705 0.526206 0.799948 0.016 Uiso 1 1 calc R U . . .
C24 C 0.1031(2) 0.3764(2) 0.85796(19) 0.0098(4) Uani 1 1 d . . . . .
C25 C 0.0458(2) 0.2780(2) 0.82724(19) 0.0097(4) Uani 1 1 d . . . . .
C26 C 0.0870(2) -0.0386(2) 0.84965(19) 0.0096(4) Uani 1 1 d . . . . .
Cl1 Cl 0.63806(6) -0.24306(6) 0.78969(5) 0.01478(11) Uani 1 1 d . . . . .
O3 O 0.62774(19) -0.15815(18) 0.66874(16) 0.0202(4) Uani 1 1 d . . . . .
O4 O 0.78274(19) -0.2715(2) 0.79439(17) 0.0235(4) Uani 1 1 d . . . . .
O5 O 0.5581(2) -0.36473(18) 0.82982(19) 0.0279(4) Uani 1 1 d . . . . .
O6 O 0.58056(18) -0.17496(17) 0.86305(16) 0.0179(4) Uani 1 1 d . . . . .
O7 O 0.55327(19) 0.21211(19) 0.44193(16) 0.0193(4) Uani 1 1 d . . . . .
H7 H 0.496(3) 0.214(3) 0.406(3) 0.029 Uiso 1 1 d . U . . .
C7 C 0.6765(3) 0.1552(3) 0.4007(2) 0.0250(6) Uani 1 1 d . . . . .
H1A H 0.759516 0.203417 0.395939 0.037 Uiso 1 1 d R U . . .
H1B H 0.675036 0.161456 0.322510 0.037 Uiso 1 1 d R U . . .
H1C H 0.679694 0.061554 0.455195 0.037 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N2 2.4305(19) . ?
Pb1 O1 2.5186(16) . ?
Pb1 S1 2.7499(6) . ?
Pb1 O7 2.7962(19) . ?
Pb1 N1 2.8672(19) . ?
Pb1 O2 2.9909(17) . ?
Pb1 S2 3.2712(6) . ?
Pb1 Pb2 4.2804(2) . ?
Pb1 Pb2 4.7848(2) 2_657 ?
Pb2 N22 2.4514(18) . ?
Pb2 N21 2.7282(19) . ?
Pb2 S2 2.7721(6) . ?
Pb2 N23 2.8260(18) 2_557 ?
Pb2 S1 2.9676(6) . ?
Pb2 S1 3.2014(6) 2_657 ?
Pb2 Pb2 5.1197(2) 2_557 ?
S1 C6 1.768(2) . ?
S1 S1 3.2099(11) 2_657 ?
S1 S2 3.7839(8) . ?
S2 C26 1.751(2) . ?
O1 N7 1.273(3) . ?
O2 N7 1.236(3) . ?
N1 C1 1.332(3) . ?
N1 C4 1.346(3) . ?
N2 C5 1.311(3) . ?
N2 N3 1.401(3) . ?
N3 C6 1.296(3) . ?
N4 C6 1.352(3) . ?
N4 H4A 0.89(3) . ?
N4 H4B 0.82(3) . ?
N5 C5 1.343(3) . ?
N5 H5A 0.85(3) . ?
N5 H5B 0.76(3) . ?
N6 C2 1.334(3) . ?
N6 C3 1.340(3) . ?
N21 C21 1.336(3) . ?
N21 C24 1.346(3) . ?
N22 C25 1.307(3) . ?
N22 N23 1.399(2) . ?
N23 C26 1.317(3) . ?
N24 C26 1.356(3) . ?
N24 H24A 0.86(3) . ?
N24 H24B 0.85(3) . ?
N25 C25 1.337(3) . ?
N25 H25A 0.86(3) . ?
N25 H25B 0.70(3) . ?
N26 C22 1.337(3) . ?
N26 C23 1.339(3) . ?
C1 C2 1.394(3) . ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C3 C4 1.393(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.483(3) . ?
C21 C22 1.391(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.396(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.487(3) . ?
Cl1 O4 1.4372(18) . ?
Cl1 O6 1.4417(18) . ?
Cl1 O5 1.4421(19) . ?
Cl1 O3 1.4583(18) . ?
O7 C7 1.421(3) . ?
O7 H7 0.80(3) . ?
C7 H1A 0.9800 . ?
C7 H1B 0.9800 . ?
C7 H1C 0.9800 . ?

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
N2 Pb1 O1 74.30(6) . . ?
N2 Pb1 S1 68.45(5) . . ?
O1 Pb1 S1 78.15(4) . . ?
N2 Pb1 O7 87.94(6) . . ?
O1 Pb1 O7 69.33(5) . . ?
S1 Pb1 O7 144.07(4) . . ?
N2 Pb1 N1 61.76(6) . . ?
O1 Pb1 N1 118.07(5) . . ?
S1 Pb1 N1 118.09(4) . . ?
O7 Pb1 N1 67.81(5) . . ?
N2 Pb1 O2 112.84(5) . . ?
O1 Pb1 O2 44.04(5) . . ?
S1 Pb1 O2 74.50(4) . . ?
O7 Pb1 O2 91.59(5) . . ?
N1 Pb1 O2 158.31(5) . . ?
N2 Pb1 S2 104.68(5) . . ?
O1 Pb1 S2 153.83(4) . . ?
S1 Pb1 S2 77.334(15) . . ?
O7 Pb1 S2 136.69(4) . . ?
N1 Pb1 S2 81.92(4) . . ?
O2 Pb1 S2 119.21(4) . . ?
N2 Pb1 Pb2 71.50(5) . . ?
O1 Pb1 Pb2 119.70(4) . . ?
S1 Pb1 Pb2 43.498(12) . . ?
O7 Pb1 Pb2 152.45(4) . . ?
N1 Pb1 Pb2 86.02(4) . . ?
O2 Pb1 Pb2 112.96(4) . . ?
S2 Pb1 Pb2 40.363(10) . . ?
N2 Pb1 Pb2 104.45(4) . 2_657 ?
O1 Pb1 Pb2 71.68(4) . 2_657 ?
S1 Pb1 Pb2 39.835(11) . 2_657 ?
O7 Pb1 Pb2 133.81(4) . 2_657 ?
N1 Pb1 Pb2 156.34(4) . 2_657 ?
O2 Pb1 Pb2 42.42(4) . 2_657 ?
S2 Pb1 Pb2 83.621(11) . 2_657 ?
Pb2 Pb1 Pb2 70.893(4) . 2_657 ?
N22 Pb2 N21 62.78(6) . . ?
N22 Pb2 S2 69.15(4) . . ?
N21 Pb2 S2 121.90(4) . . ?
N22 Pb2 N23 79.41(6) . 2_557 ?
N21 Pb2 N23 114.70(5) . 2_557 ?
S2 Pb2 N23 85.03(4) . 2_557 ?
N22 Pb2 S1 106.38(5) . . ?
N21 Pb2 S1 81.70(4) . . ?
S2 Pb2 S1 82.409(16) . . ?
N23 Pb2 S1 163.09(4) 2_557 . ?
N22 Pb2 S1 148.24(4) . 2_657 ?
N21 Pb2 S1 136.22(4) . 2_657 ?
S2 Pb2 S1 79.607(15) . 2_657 ?
N23 Pb2 S1 104.03(4) 2_557 2_657 ?
S1 Pb2 S1 62.574(18) . 2_657 ?
N22 Pb2 Pb1 73.42(4) . . ?
N21 Pb2 Pb1 85.61(4) . . ?
S2 Pb2 Pb1 49.839(12) . . ?
N23 Pb2 Pb1 133.08(4) 2_557 . ?
S1 Pb2 Pb1 39.629(11) . . ?
S1 Pb2 Pb1 82.308(11) 2_657 . ?
N22 Pb2 Pb2 43.65(4) . 2_557 ?
N21 Pb2 Pb2 98.75(4) . 2_557 ?
S2 Pb2 Pb2 62.665(11) . 2_557 ?
N23 Pb2 Pb2 38.55(4) 2_557 2_557 ?
S1 Pb2 Pb2 139.274(11) . 2_557 ?
S1 Pb2 Pb2 124.686(10) 2_657 2_557 ?
Pb1 Pb2 Pb2 99.646(4) . 2_557 ?
C6 S1 Pb1 96.13(8) . . ?
C6 S1 Pb2 109.17(7) . . ?
Pb1 S1 Pb2 96.873(16) . . ?
C6 S1 S1 149.59(8) . 2_657 ?
Pb1 S1 S1 113.49(3) . 2_657 ?
Pb2 S1 S1 62.281(18) . 2_657 ?
C6 S1 S2 131.62(8) . . ?
Pb1 S1 S2 57.509(13) . . ?
Pb2 S1 S2 46.568(12) . . ?
S1 S1 S2 65.98(2) 2_657 . ?
C26 S2 Pb2 97.40(7) . . ?
C26 S2 Pb1 104.82(8) . . ?
Pb2 S2 Pb1 89.798(15) . . ?
C26 S2 S1 125.35(7) . . ?
Pb2 S2 S1 51.023(12) . . ?
Pb1 S2 S1 45.157(11) . . ?
N7 O1 Pb1 111.67(13) . . ?
N7 O2 Pb1 88.89(13) . . ?
C1 N1 C4 116.5(2) . . ?
C1 N1 Pb1 130.09(15) . . ?
C4 N1 Pb1 108.83(14) . . ?
C5 N2 N3 111.69(18) . . ?
C5 N2 Pb1 125.98(15) . . ?
N3 N2 Pb1 120.84(13) . . ?
C6 N3 N2 114.81(19) . . ?
C6 N4 H4A 118.2(19) . . ?
C6 N4 H4B 120(2) . . ?
H4A N4 H4B 119(3) . . ?
C5 N5 H5A 118(2) . . ?
C5 N5 H5B 123(2) . . ?
H5A N5 H5B 116(3) . . ?
C2 N6 C3 116.2(2) . . ?
O2 N7 O1 114.58(19) . . ?
C21 N21 C24 117.08(19) . . ?
C21 N21 Pb2 126.61(15) . . ?
C24 N21 Pb2 113.58(14) . . ?
C25 N22 N23 112.65(17) . . ?
C25 N22 Pb2 125.49(14) . . ?
N23 N22 Pb2 121.65(13) . . ?
C26 N23 N22 115.49(17) . . ?
C26 N24 H24A 121.2(19) . . ?
C26 N24 H24B 117.4(19) . . ?
H24A N24 H24B 121(3) . . ?
C25 N25 H25A 122.0(19) . . ?
C25 N25 H25B 124(3) . . ?
H25A N25 H25B 114(3) . . ?
C22 N26 C23 116.5(2) . . ?
N1 C1 C2 121.9(2) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
N6 C2 C1 121.9(2) . . ?
N6 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
N6 C3 C4 122.2(2) . . ?
N6 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
N1 C4 C3 121.2(2) . . ?
N1 C4 C5 117.1(2) . . ?
C3 C4 C5 121.7(2) . . ?
N2 C5 N5 122.8(2) . . ?
N2 C5 C4 119.0(2) . . ?
N5 C5 C4 118.2(2) . . ?
N3 C6 N4 118.5(2) . . ?
N3 C6 S1 125.90(17) . . ?
N4 C6 S1 115.56(18) . . ?
N21 C21 C22 121.5(2) . . ?
N21 C21 H21 119.2 . . ?
C22 C21 H21 119.2 . . ?
N26 C22 C21 121.9(2) . . ?
N26 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
N26 C23 C24 122.0(2) . . ?
N26 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
N21 C24 C23 120.8(2) . . ?
N21 C24 C25 116.18(19) . . ?
C23 C24 C25 123.0(2) . . ?
N22 C25 N25 124.0(2) . . ?
N22 C25 C24 117.79(19) . . ?
N25 C25 C24 118.2(2) . . ?
N23 C26 N24 115.7(2) . . ?
N23 C26 S2 126.98(17) . . ?
N24 C26 S2 117.36(17) . . ?
O4 Cl1 O6 109.94(11) . . ?
O4 Cl1 O5 110.25(12) . . ?
O6 Cl1 O5 109.26(12) . . ?
O4 Cl1 O3 109.47(11) . . ?
O6 Cl1 O3 108.94(11) . . ?
O5 Cl1 O3 108.97(12) . . ?
C7 O7 Pb1 110.45(15) . . ?
C7 O7 H7 109(2) . . ?
Pb1 O7 H7 121(2) . . ?
O7 C7 H1A 109.6 . . ?
O7 C7 H1B 109.3 . . ?
H1A C7 H1B 109.5 . . ?
O7 C7 H1C 109.5 . . ?
H1A C7 H1C 109.5 . . ?
H1B C7 H1C 109.5 . . ?

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
C5 N2 N3 C6 161.9(2) . . . . ?
Pb1 N2 N3 C6 -31.2(2) . . . . ?
Pb1 O2 N7 O1 -7.96(19) . . . . ?
Pb1 O1 N7 O2 10.2(2) . . . . ?
C25 N22 N23 C26 156.1(2) . . . . ?
Pb2 N22 N23 C26 -28.9(2) . . . . ?
C4 N1 C1 C2 1.3(3) . . . . ?
Pb1 N1 C1 C2 -151.75(18) . . . . ?
C3 N6 C2 C1 -2.2(4) . . . . ?
N1 C1 C2 N6 1.4(4) . . . . ?
C2 N6 C3 C4 0.4(4) . . . . ?
C1 N1 C4 C3 -3.0(3) . . . . ?
Pb1 N1 C4 C3 155.48(18) . . . . ?
C1 N1 C4 C5 175.2(2) . . . . ?
Pb1 N1 C4 C5 -26.4(2) . . . . ?
N6 C3 C4 N1 2.3(4) . . . . ?
N6 C3 C4 C5 -175.8(2) . . . . ?
N3 N2 C5 N5 -4.6(3) . . . . ?
Pb1 N2 C5 N5 -170.68(17) . . . . ?
N3 N2 C5 C4 178.99(19) . . . . ?
Pb1 N2 C5 C4 12.9(3) . . . . ?
N1 C4 C5 N2 13.5(3) . . . . ?
C3 C4 C5 N2 -168.3(2) . . . . ?
N1 C4 C5 N5 -163.0(2) . . . . ?
C3 C4 C5 N5 15.1(3) . . . . ?
N2 N3 C6 N4 179.1(2) . . . . ?
N2 N3 C6 S1 -1.9(3) . . . . ?
Pb1 S1 C6 N3 25.7(2) . . . . ?
Pb2 S1 C6 N3 -73.8(2) . . . . ?
S1 S1 C6 N3 -141.42(17) 2_657 . . . ?
S2 S1 C6 N3 -25.5(3) . . . . ?
Pb1 S1 C6 N4 -155.24(17) . . . . ?
Pb2 S1 C6 N4 105.27(17) . . . . ?
S1 S1 C6 N4 37.6(3) 2_657 . . . ?
S2 S1 C6 N4 153.61(14) . . . . ?
C24 N21 C21 C22 1.4(3) . . . . ?
Pb2 N21 C21 C22 -158.54(18) . . . . ?
C23 N26 C22 C21 -2.8(4) . . . . ?
N21 C21 C22 N26 2.0(4) . . . . ?
C22 N26 C23 C24 0.4(3) . . . . ?
C21 N21 C24 C23 -3.8(3) . . . . ?
Pb2 N21 C24 C23 158.77(17) . . . . ?
C21 N21 C24 C25 174.9(2) . . . . ?
Pb2 N21 C24 C25 -22.6(2) . . . . ?
N26 C23 C24 N21 3.0(4) . . . . ?
N26 C23 C24 C25 -175.5(2) . . . . ?
N23 N22 C25 N25 -3.9(3) . . . . ?
Pb2 N22 C25 N25 -178.65(17) . . . . ?
N23 N22 C25 C24 177.71(18) . . . . ?
Pb2 N22 C25 C24 3.0(3) . . . . ?
N21 C24 C25 N22 14.9(3) . . . . ?
C23 C24 C25 N22 -166.5(2) . . . . ?
N21 C24 C25 N25 -163.6(2) . . . . ?
C23 C24 C25 N25 15.0(3) . . . . ?
N22 N23 C26 N24 -177.43(19) . . . . ?
N22 N23 C26 S2 3.1(3) . . . . ?
Pb2 S2 C26 N23 17.7(2) . . . . ?
Pb1 S2 C26 N23 -74.1(2) . . . . ?
S1 S2 C26 N23 -29.0(2) . . . . ?
Pb2 S2 C26 N24 -161.78(17) . . . . ?
Pb1 S2 C26 N24 106.46(17) . . . . ?
S1 S2 C26 N24 151.50(15) . . . . ?

_refine_diff_density_max         0.594
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.121

