# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2005458'
loop_
_audit_author_name
_audit_author_address
'Damir Safin'
;University of Tyumen
Russia
;
_audit_update_record             
;
2020-05-24 deposited with the CCDC.	2023-08-04 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         'C26 H22 N20 O2 Pb3'
_chemical_formula_sum            'C26 H22 N20 O2 Pb3'
_chemical_formula_weight         1268.20

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'
Pb Pb -3.3944 10.1111 '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                   11.1507(6)
_cell_length_b                   11.7420(6)
_cell_length_c                   14.0683(7)
_cell_angle_alpha                73.932(5)
_cell_angle_beta                 85.670(4)
_cell_angle_gamma                84.591(4)
_cell_volume                     1759.79(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3785
_cell_measurement_theta_min      2.96
_cell_measurement_theta_max      26.22

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.393
_exptl_crystal_F_000             1160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    14.373
_shelx_estimated_absorpt_T_min   0.039
_shelx_estimated_absorpt_T_max   0.042
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.041
_exptl_absorpt_correction_T_max  0.079
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc)'

_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker AXS SMART APEX2 CCD diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14626
_diffrn_reflns_av_unetI/netI     0.0968
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_limit_h_min       -14
_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       17
_diffrn_reflns_theta_min         2.871
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7719
_reflns_number_gt                5659
_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       'APEX2 V2013.10.0 (Bruker, 2013)'
_computing_cell_refinement       'APEX2 V2013.10.0 (Bruker, 2013)'
_computing_data_reduction        'APEX2 V2013.10.0 (Bruker, 2013)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'

_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)+(0.0554P)²+9.4800P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7719
_refine_ls_number_parameters     465
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0629
_refine_ls_wR_factor_ref         0.1498
_refine_ls_wR_factor_gt          0.1359
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.000
_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 0.13602(5) 0.72198(4) 0.04712(4) 0.02271(15) Uani 1 1 d . . . . .
Pb2 Pb 0.84037(4) 0.43456(4) 0.22059(4) 0.02158(15) Uani 1 1 d . . . . .
Pb3 Pb 0.47747(5) 0.56447(5) 0.14276(4) 0.02752(16) Uani 1 1 d . . . . .
O1 O 0.3095(8) 0.7226(8) 0.1441(8) 0.028(2) Uani 1 1 d . . . . .
O2 O 0.6237(8) 0.4720(8) 0.2744(7) 0.024(2) Uani 1 1 d . . . . .
N1 N -0.0717(10) 0.8451(9) 0.0532(9) 0.024(3) Uani 1 1 d . . . . .
N2 N 0.1230(10) 0.8735(10) 0.1440(8) 0.023(3) Uani 1 1 d . . . . .
N3 N 0.2262(10) 0.8880(9) 0.1895(8) 0.022(3) Uani 1 1 d . . . . .
N4 N 0.5209(10) 0.7400(10) 0.2140(8) 0.024(3) Uani 1 1 d . . . . .
N5 N 1.0035(10) 0.2995(10) 0.3252(9) 0.025(3) Uani 1 1 d . . . . .
N6 N 0.7751(9) 0.3338(10) 0.3959(9) 0.022(3) Uani 1 1 d . . . . .
N7 N 0.6549(10) 0.3456(10) 0.4284(9) 0.025(3) Uani 1 1 d . . . . .
N8 N 0.3865(10) 0.4932(10) 0.3172(9) 0.025(3) Uani 1 1 d . . . . .
N9 N 0.0175(10) 0.5967(10) -0.0527(9) 0.025(3) Uani 1 1 d . . . . .
N10 N 0.000000 0.500000 0.000000 0.025(4) Uani 1 2 d S . P . .
N11 N 0.2639(10) 0.5004(10) 0.0877(10) 0.028(3) Uani 1 1 d . . . . .
N12 N 0.2762(10) 0.4608(11) 0.0192(10) 0.027(3) Uani 1 1 d . . . . .
N13 N 0.2890(10) 0.4250(11) -0.0518(10) 0.031(3) Uani 1 1 d . . . . .
N14 N 0.0381(10) 0.6100(10) 0.1930(8) 0.024(3) Uani 1 1 d . . . . .
N15 N -0.0130(11) 0.6564(11) 0.2510(10) 0.031(3) Uani 1 1 d . . . . .
N16 N -0.0633(13) 0.6989(13) 0.3105(11) 0.048(4) Uani 1 1 d . . . . .
N17 N 0.7766(11) 0.2558(11) 0.2000(9) 0.030(3) Uani 1 1 d . . . . .
N18 N 0.7696(10) 0.1734(11) 0.2747(11) 0.030(3) Uani 1 1 d . . . . .
N19 N 0.7624(13) 0.0909(12) 0.3458(10) 0.042(4) Uani 1 1 d . . . . .
C1 C -0.1612(14) 0.8315(12) 0.0086(12) 0.031(3) Uani 1 1 d . . . . .
H1 H -0.152163 0.773773 -0.025801 0.037 Uiso 1 1 calc R U . . .
C2 C -0.2742(11) 0.8975(13) 0.0073(10) 0.027(3) Uani 1 1 d . . . . .
H2 H -0.338163 0.883406 -0.025602 0.032 Uiso 1 1 calc R U . . .
C3 C -0.2847(12) 0.9838(12) 0.0574(10) 0.025(3) Uani 1 1 d . . . . .
H3A H -0.356540 1.030515 0.058991 0.030 Uiso 1 1 calc R U . . .
C4 C -0.1861(12) 0.9997(12) 0.1054(11) 0.026(3) Uani 1 1 d . . . . .
H4 H -0.190945 1.059023 0.138110 0.031 Uiso 1 1 calc R U . . .
C5 C -0.0819(12) 0.9289(11) 0.1050(10) 0.023(3) Uani 1 1 d . . . . .
C6 C 0.0264(13) 0.9431(12) 0.1535(11) 0.025(3) Uani 1 1 d . . . . .
C7 C 0.0230(13) 1.0299(13) 0.2137(12) 0.032(4) Uani 1 1 d . . . . .
H7A H 0.103710 1.040111 0.227422 0.047 Uiso 1 1 calc R U . . .
H7B H -0.022687 1.000572 0.274895 0.047 Uiso 1 1 calc R U . . .
H7C H -0.014309 1.104877 0.177564 0.047 Uiso 1 1 calc R U . . .
C8 C 0.3132(11) 0.8102(11) 0.1802(10) 0.017(3) Uani 1 1 d . . . . .
C9 C 0.4284(12) 0.8241(12) 0.2197(10) 0.023(3) Uani 1 1 d . . . . .
C10 C 0.4428(15) 0.9189(14) 0.2587(14) 0.042(4) Uani 1 1 d . . . . .
H10 H 0.380678 0.976781 0.261386 0.050 Uiso 1 1 calc R U . . .
C11 C 0.5576(15) 0.9215(16) 0.2938(14) 0.047(5) Uani 1 1 d . . . . .
H11 H 0.570959 0.981337 0.322512 0.057 Uiso 1 1 calc R U . . .
C12 C 0.6513(14) 0.8367(15) 0.2864(12) 0.037(4) Uani 1 1 d . . . . .
H12 H 0.727391 0.839973 0.308045 0.045 Uiso 1 1 calc R U . . .
C13 C 0.6273(13) 0.7484(14) 0.2462(11) 0.032(4) Uani 1 1 d . . . . .
H13 H 0.689067 0.691019 0.241233 0.038 Uiso 1 1 calc R U . . .
C14 C 1.1144(12) 0.2838(12) 0.2892(11) 0.025(3) Uani 1 1 d . . . . .
H14 H 1.133179 0.325098 0.223972 0.030 Uiso 1 1 calc R U . . .
C15 C 1.2041(14) 0.2104(14) 0.3418(13) 0.037(4) Uani 1 1 d . . . . .
H15 H 1.280259 0.199951 0.312229 0.044 Uiso 1 1 calc R U . . .
C16 C 1.1775(15) 0.1522(15) 0.4407(14) 0.045(5) Uani 1 1 d . . . . .
H16 H 1.236286 0.104109 0.479860 0.054 Uiso 1 1 calc R U . . .
C17 C 1.0578(13) 0.1684(13) 0.4799(12) 0.035(4) Uani 1 1 d . . . . .
H17 H 1.036177 0.130034 0.545341 0.042 Uiso 1 1 calc R U . . .
C18 C 0.9728(13) 0.2433(12) 0.4183(11) 0.027(3) Uani 1 1 d . . . . .
C19 C 0.8480(13) 0.2646(12) 0.4567(11) 0.027(3) Uani 1 1 d . . . . .
C20 C 0.8116(15) 0.1964(16) 0.5617(12) 0.045(5) Uani 1 1 d . . . . .
H20A H 0.725340 0.202867 0.571142 0.068 Uiso 1 1 calc R U . . .
H20B H 0.846600 0.228957 0.607734 0.068 Uiso 1 1 calc R U . . .
H20C H 0.839941 0.114258 0.572557 0.068 Uiso 1 1 calc R U . . .
C21 C 0.5922(12) 0.4137(11) 0.3618(11) 0.021(3) Uani 1 1 d . . . . .
C22 C 0.4606(12) 0.4296(11) 0.3899(10) 0.022(3) Uani 1 1 d . . . . .
C23 C 0.4114(13) 0.3849(14) 0.4884(11) 0.031(4) Uani 1 1 d . . . . .
H23 H 0.460417 0.340766 0.538448 0.037 Uiso 1 1 calc R U . . .
C24 C 0.2902(13) 0.4081(13) 0.5083(11) 0.032(4) Uani 1 1 d . . . . .
H24 H 0.256939 0.380103 0.572261 0.039 Uiso 1 1 calc R U . . .
C25 C 0.2185(13) 0.4725(13) 0.4341(12) 0.033(4) Uani 1 1 d . . . . .
H25 H 0.137222 0.489990 0.448611 0.040 Uiso 1 1 calc R U . . .
C26 C 0.2656(13) 0.5120(13) 0.3371(11) 0.031(3) Uani 1 1 d . . . . .
H26 H 0.215256 0.550799 0.286401 0.037 Uiso 1 1 calc R U . . .
N20 N 0.549(2) 0.3619(17) 0.0811(19) 0.037(4) Uani 0.5 1 d D U P . .
N21 N 0.504(2) 0.2707(16) 0.1237(18) 0.037(4) Uani 0.5 1 d D . P . .
N22 N 0.482(2) 0.1674(16) 0.147(2) 0.037(4) Uani 0.5 1 d D . P . .


_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 N14 2.360(11) . ?
Pb1 O1 2.451(9) . ?
Pb1 N2 2.511(12) . ?
Pb1 N1 2.621(12) . ?
Pb1 N9 2.770(13) . ?
Pb1 N11 2.781(12) . ?
Pb2 N17 2.376(12) . ?
Pb2 N6 2.508(11) . ?
Pb2 O2 2.512(9) . ?
Pb2 N5 2.561(11) . ?
Pb2 N9 2.834(11) 2_665 ?
Pb2 N13 2.888(13) 2_665 ?
Pb3 O2 2.506(10) . ?
Pb3 O1 2.513(9) . ?
Pb3 N8 2.530(11) . ?
Pb3 N4 2.625(12) . ?
Pb3 N20 2.78(2) . ?
Pb3 N11 2.788(12) . ?
Pb3 N13 2.811(12) 2_665 ?
O1 C8 1.273(15) . ?
O2 C21 1.272(16) . ?
N1 C1 1.263(18) . ?
N1 C5 1.370(18) . ?
N2 C6 1.312(17) . ?
N2 N3 1.404(15) . ?
N3 C8 1.292(16) . ?
N4 C13 1.322(18) . ?
N4 C9 1.373(17) . ?
N5 C14 1.316(17) . ?
N5 C18 1.328(17) . ?
N6 C19 1.283(18) . ?
N6 N7 1.390(15) . ?
N7 C21 1.259(17) . ?
N8 C26 1.366(18) . ?
N8 C22 1.369(18) . ?
N9 N10 1.196(11) . ?
N11 N12 1.176(17) . ?
N12 N13 1.180(17) . ?
N14 N15 1.186(17) . ?
N15 N16 1.170(19) . ?
N17 N18 1.219(17) . ?
N18 N19 1.188(17) . ?
C1 C2 1.415(19) . ?
C1 H1 0.9300 . ?
C2 C3 1.38(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.39(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.365(19) . ?
C4 H4 0.9300 . ?
C5 C6 1.475(19) . ?
C6 C7 1.49(2) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.478(18) . ?
C9 C10 1.40(2) . ?
C10 C11 1.41(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.39(2) . ?
C11 H11 0.9300 . ?
C12 C13 1.37(2) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.37(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.39(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.42(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.40(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.48(2) . ?
C19 C20 1.52(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.498(19) . ?
C22 C23 1.427(19) . ?
C23 C24 1.38(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.37(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.39(2) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
N20 N21 1.208(5) . ?
N21 N22 1.209(5) . ?

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
N14 Pb1 O1 88.7(4) . . ?
N14 Pb1 N2 81.9(4) . . ?
O1 Pb1 N2 63.2(3) . . ?
N14 Pb1 N1 77.3(4) . . ?
O1 Pb1 N1 125.9(4) . . ?
N2 Pb1 N1 63.2(4) . . ?
N14 Pb1 N9 86.5(4) . . ?
O1 Pb1 N9 146.3(3) . . ?
N2 Pb1 N9 148.1(3) . . ?
N1 Pb1 N9 85.3(3) . . ?
N14 Pb1 N11 75.8(4) . . ?
O1 Pb1 N11 70.3(3) . . ?
N2 Pb1 N11 128.4(4) . . ?
N1 Pb1 N11 148.0(3) . . ?
N9 Pb1 N11 76.2(4) . . ?
N17 Pb2 N6 79.8(4) . . ?
N17 Pb2 O2 84.6(4) . . ?
N6 Pb2 O2 62.5(3) . . ?
N17 Pb2 N5 85.2(4) . . ?
N6 Pb2 N5 64.3(4) . . ?
O2 Pb2 N5 126.9(3) . . ?
N17 Pb2 N9 76.8(4) . 2_665 ?
N6 Pb2 N9 144.0(3) . 2_665 ?
O2 Pb2 N9 140.2(3) . 2_665 ?
N5 Pb2 N9 86.6(4) . 2_665 ?
N17 Pb2 N13 91.4(4) . 2_665 ?
N6 Pb2 N13 133.1(3) . 2_665 ?
O2 Pb2 N13 70.8(3) . 2_665 ?
N5 Pb2 N13 161.4(4) . 2_665 ?
N9 Pb2 N13 74.8(3) 2_665 2_665 ?
O2 Pb3 O1 128.0(3) . . ?
O2 Pb3 N8 64.1(3) . . ?
O1 Pb3 N8 78.5(4) . . ?
O2 Pb3 N4 75.7(3) . . ?
O1 Pb3 N4 62.5(3) . . ?
N8 Pb3 N4 79.7(4) . . ?
O2 Pb3 N20 82.8(6) . . ?
O1 Pb3 N20 144.7(5) . . ?
N8 Pb3 N20 106.4(5) . . ?
N4 Pb3 N20 152.4(6) . . ?
O2 Pb3 N11 135.1(3) . . ?
O1 Pb3 N11 69.4(3) . . ?
N8 Pb3 N11 84.4(4) . . ?
N4 Pb3 N11 131.4(4) . . ?
N20 Pb3 N11 76.3(5) . . ?
O2 Pb3 N13 72.3(3) . 2_665 ?
O1 Pb3 N13 131.8(3) . 2_665 ?
N8 Pb3 N13 136.3(4) . 2_665 ?
N4 Pb3 N13 88.4(4) . 2_665 ?
N20 Pb3 N13 68.4(5) . 2_665 ?
N11 Pb3 N13 131.5(4) . 2_665 ?
C8 O1 Pb1 117.4(8) . . ?
C8 O1 Pb3 125.6(8) . . ?
Pb1 O1 Pb3 116.4(4) . . ?
C21 O2 Pb3 123.5(8) . . ?
C21 O2 Pb2 115.6(8) . . ?
Pb3 O2 Pb2 117.9(4) . . ?
C1 N1 C5 119.2(13) . . ?
C1 N1 Pb1 122.4(10) . . ?
C5 N1 Pb1 118.3(9) . . ?
C6 N2 N3 116.9(12) . . ?
C6 N2 Pb1 124.5(10) . . ?
N3 N2 Pb1 118.6(8) . . ?
C8 N3 N2 111.3(11) . . ?
C13 N4 C9 119.4(13) . . ?
C13 N4 Pb3 122.4(10) . . ?
C9 N4 Pb3 118.2(8) . . ?
C14 N5 C18 120.0(13) . . ?
C14 N5 Pb2 122.1(9) . . ?
C18 N5 Pb2 117.8(9) . . ?
C19 N6 N7 117.6(12) . . ?
C19 N6 Pb2 122.2(9) . . ?
N7 N6 Pb2 120.1(8) . . ?
C21 N7 N6 111.7(12) . . ?
C26 N8 C22 121.0(12) . . ?
C26 N8 Pb3 120.8(10) . . ?
C22 N8 Pb3 118.1(8) . . ?
N10 N9 Pb1 110.2(7) . . ?
N9 N10 N9 180.0 2_565 . ?
N12 N11 Pb1 113.1(10) . . ?
N12 N11 Pb3 114.0(9) . . ?
Pb1 N11 Pb3 98.5(4) . . ?
N11 N12 N13 177.7(14) . . ?
N15 N14 Pb1 121.3(9) . . ?
N16 N15 N14 178.0(15) . . ?
N18 N17 Pb2 116.1(10) . . ?
N19 N18 N17 178.0(15) . . ?
N1 C1 C2 124.7(15) . . ?
N1 C1 H1 117.6 . . ?
C2 C1 H1 117.6 . . ?
C3 C2 C1 116.5(14) . . ?
C3 C2 H2 121.7 . . ?
C1 C2 H2 121.7 . . ?
C2 C3 C4 118.8(13) . . ?
C2 C3 H3A 120.6 . . ?
C4 C3 H3A 120.6 . . ?
C5 C4 C3 120.3(14) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 N1 120.3(13) . . ?
C4 C5 C6 122.6(14) . . ?
N1 C5 C6 116.9(12) . . ?
N2 C6 C5 117.0(13) . . ?
N2 C6 C7 122.2(14) . . ?
C5 C6 C7 120.7(13) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O1 C8 N3 127.6(12) . . ?
O1 C8 C9 117.2(12) . . ?
N3 C8 C9 115.1(12) . . ?
N4 C9 C10 122.0(13) . . ?
N4 C9 C8 116.2(12) . . ?
C10 C9 C8 121.7(13) . . ?
C9 C10 C11 115.9(16) . . ?
C9 C10 H10 122.1 . . ?
C11 C10 H10 122.1 . . ?
C12 C11 C10 121.6(16) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C13 C12 C11 117.4(15) . . ?
C13 C12 H12 121.3 . . ?
C11 C12 H12 121.3 . . ?
N4 C13 C12 123.6(15) . . ?
N4 C13 H13 118.2 . . ?
C12 C13 H13 118.2 . . ?
N5 C14 C15 124.2(14) . . ?
N5 C14 H14 117.9 . . ?
C15 C14 H14 117.9 . . ?
C14 C15 C16 118.0(15) . . ?
C14 C15 H15 121.0 . . ?
C16 C15 H15 121.0 . . ?
C15 C16 C17 118.0(15) . . ?
C15 C16 H16 121.0 . . ?
C17 C16 H16 121.0 . . ?
C18 C17 C16 118.8(15) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
N5 C18 C17 120.9(14) . . ?
N5 C18 C19 118.5(13) . . ?
C17 C18 C19 120.6(13) . . ?
N6 C19 C18 117.1(13) . . ?
N6 C19 C20 124.3(13) . . ?
C18 C19 C20 118.4(13) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N7 C21 O2 129.8(13) . . ?
N7 C21 C22 115.3(13) . . ?
O2 C21 C22 115.0(12) . . ?
N8 C22 C23 119.5(13) . . ?
N8 C22 C21 117.5(12) . . ?
C23 C22 C21 122.9(14) . . ?
C24 C23 C22 118.9(15) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C25 C24 C23 120.2(14) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C26 120.8(14) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
N8 C26 C25 119.4(15) . . ?
N8 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
N21 N20 Pb3 118.3(16) . . ?
N20 N21 N22 161(2) . . ?

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
C6 N2 N3 C8 176.2(11) . . . . ?
Pb1 N2 N3 C8 -5.4(13) . . . . ?
C19 N6 N7 C21 -178.7(13) . . . . ?
Pb2 N6 N7 C21 -2.8(15) . . . . ?
C5 N1 C1 C2 0(2) . . . . ?
Pb1 N1 C1 C2 -178.3(10) . . . . ?
N1 C1 C2 C3 1(2) . . . . ?
C1 C2 C3 C4 -0.4(19) . . . . ?
C2 C3 C4 C5 -2(2) . . . . ?
C3 C4 C5 N1 3(2) . . . . ?
C3 C4 C5 C6 179.0(12) . . . . ?
C1 N1 C5 C4 -2.5(19) . . . . ?
Pb1 N1 C5 C4 176.2(9) . . . . ?
C1 N1 C5 C6 -178.5(12) . . . . ?
Pb1 N1 C5 C6 0.2(14) . . . . ?
N3 N2 C6 C5 179.5(10) . . . . ?
Pb1 N2 C6 C5 1.2(16) . . . . ?
N3 N2 C6 C7 -3.0(18) . . . . ?
Pb1 N2 C6 C7 178.7(9) . . . . ?
C4 C5 C6 N2 -176.8(12) . . . . ?
N1 C5 C6 N2 -0.8(17) . . . . ?
C4 C5 C6 C7 5.6(19) . . . . ?
N1 C5 C6 C7 -178.5(12) . . . . ?
Pb1 O1 C8 N3 15.0(18) . . . . ?
Pb3 O1 C8 N3 -174.1(10) . . . . ?
Pb1 O1 C8 C9 -167.2(8) . . . . ?
Pb3 O1 C8 C9 3.7(16) . . . . ?
N2 N3 C8 O1 -6.4(19) . . . . ?
N2 N3 C8 C9 175.8(10) . . . . ?
C13 N4 C9 C10 0(2) . . . . ?
Pb3 N4 C9 C10 178.5(11) . . . . ?
C13 N4 C9 C8 178.7(12) . . . . ?
Pb3 N4 C9 C8 -2.7(15) . . . . ?
O1 C8 C9 N4 -0.4(18) . . . . ?
N3 C8 C9 N4 177.7(11) . . . . ?
O1 C8 C9 C10 178.4(14) . . . . ?
N3 C8 C9 C10 -4(2) . . . . ?
N4 C9 C10 C11 -1(2) . . . . ?
C8 C9 C10 C11 -179.9(13) . . . . ?
C9 C10 C11 C12 2(2) . . . . ?
C10 C11 C12 C13 -2(2) . . . . ?
C9 N4 C13 C12 1(2) . . . . ?
Pb3 N4 C13 C12 -177.9(11) . . . . ?
C11 C12 C13 N4 0(2) . . . . ?
C18 N5 C14 C15 1(2) . . . . ?
Pb2 N5 C14 C15 -178.6(11) . . . . ?
N5 C14 C15 C16 -3(2) . . . . ?
C14 C15 C16 C17 3(2) . . . . ?
C15 C16 C17 C18 -1(3) . . . . ?
C14 N5 C18 C17 1(2) . . . . ?
Pb2 N5 C18 C17 -179.7(11) . . . . ?
C14 N5 C18 C19 179.0(13) . . . . ?
Pb2 N5 C18 C19 -1.7(17) . . . . ?
C16 C17 C18 N5 -1(2) . . . . ?
C16 C17 C18 C19 -178.8(15) . . . . ?
N7 N6 C19 C18 174.1(12) . . . . ?
Pb2 N6 C19 C18 -1.7(18) . . . . ?
N7 N6 C19 C20 -1(2) . . . . ?
Pb2 N6 C19 C20 -176.6(12) . . . . ?
N5 C18 C19 N6 2(2) . . . . ?
C17 C18 C19 N6 -179.7(14) . . . . ?
N5 C18 C19 C20 177.5(14) . . . . ?
C17 C18 C19 C20 -5(2) . . . . ?
N6 N7 C21 O2 -2(2) . . . . ?
N6 N7 C21 C22 178.8(11) . . . . ?
Pb3 O2 C21 N7 165.5(12) . . . . ?
Pb2 O2 C21 N7 5.3(19) . . . . ?
Pb3 O2 C21 C22 -15.2(16) . . . . ?
Pb2 O2 C21 C22 -175.3(8) . . . . ?
C26 N8 C22 C23 -2(2) . . . . ?
Pb3 N8 C22 C23 -178.0(10) . . . . ?
C26 N8 C22 C21 -179.7(13) . . . . ?
Pb3 N8 C22 C21 3.9(16) . . . . ?
N7 C21 C22 N8 -173.7(12) . . . . ?
O2 C21 C22 N8 6.9(18) . . . . ?
N7 C21 C22 C23 8(2) . . . . ?
O2 C21 C22 C23 -171.1(13) . . . . ?
N8 C22 C23 C24 -1(2) . . . . ?
C21 C22 C23 C24 177.2(13) . . . . ?
C22 C23 C24 C25 0(2) . . . . ?
C23 C24 C25 C26 2(2) . . . . ?
C22 N8 C26 C25 4(2) . . . . ?
Pb3 N8 C26 C25 -179.5(11) . . . . ?
C24 C25 C26 N8 -4(2) . . . . ?
Pb3 N20 N21 N22 -178(8) . . . . ?

_refine_diff_density_max         3.480
_refine_diff_density_min         -1.985
_refine_diff_density_rms         0.325

