#------------------------------------------------------------------------------
#$Date: 2021-11-24 11:46:48 +0200 (Wed, 24 Nov 2021) $
#$Revision: 270854 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/53/1565391.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_1565391
loop_
_publ_author_name
'Akbari Afkhami, Farhad'
'Mahmoudi, Ghodrat'
'Qu, Fengrui'
'Gupta, Arunava'
'Zangrando, Ennio'
'Frontera, Antonio'
'Safin, Damir A.'
_publ_section_title
;
 Supramolecular architecture constructed from the hemidirected lead(II)
 complex with N'-(4-hydroxybenzylidene)isonicotinohydrazide
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119350
_journal_paper_doi               10.1016/j.ica.2019.119350
_journal_volume                  502
_journal_year                    2020
_chemical_formula_moiety         'C26 H20 N6 O4 Pb'
_chemical_formula_sum            'C26 H20 N6 O4 Pb'
_chemical_formula_weight         687.67
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 95.6730(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   51.152(6)
_cell_length_b                   8.1787(9)
_cell_length_c                   11.5466(13)
_cell_measurement_reflns_used    3859
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      24.55
_cell_measurement_theta_min      1.78
_cell_volume                     4806.9(9)
_computing_cell_refinement       'SAINT 7.46A (Bruker-AXS, 2011)'
_computing_data_collection       'APEX2 v2011.4.0 (Bruker-AXS, 2011)'
_computing_data_reduction        'SAINT 7.46A (Bruker-AXS, 2011)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX II'
_diffrn_measurement_method       'φ and 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  0.0530
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       63
_diffrn_reflns_limit_h_min       -63
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            115417
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         0.800
_exptl_absorpt_coefficient_mu    7.066
_exptl_absorpt_correction_T_max  0.2143
_exptl_absorpt_correction_T_min  0.1605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS, 2010'
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_description       block
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.202
_refine_diff_density_min         -2.071
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         9828
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.233
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0331
_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)+(0.0041P)²+18.6000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0613
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8487
_reflns_number_total             9828
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-502-110350.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        4807.0(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1565391
_shelx_shelxl_version_number     2014/7
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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 0.13023(2) 0.77999(2) 0.77585(2) 0.02391(5) Uani 1 1 d . . . . .
O1 O 0.01068(7) 0.5494(5) 0.6158(3) 0.0314(9) Uani 1 1 d . . . . .
H1A H -0.0031(12) 0.602(8) 0.606(5) 0.047 Uiso 1 1 d . U . . .
O2 O 0.15082(7) 0.9552(5) 0.9116(3) 0.0355(9) Uani 1 1 d . . . . .
O3 O 0.26742(8) 0.7801(7) 0.7383(3) 0.0530(13) Uani 1 1 d . . . . .
H3A H 0.2777(15) 0.752(9) 0.685(6) 0.079 Uiso 1 1 d . U . . .
O4 O 0.09867(7) 0.9539(5) 0.7055(3) 0.0323(9) Uani 1 1 d . . . . .
N1 N 0.10583(8) 0.8251(5) 0.9558(3) 0.0207(8) Uani 1 1 d . . . . .
N2 N 0.12073(8) 0.9079(5) 1.0474(3) 0.0219(9) Uani 1 1 d . . . . .
N3 N 0.19679(10) 1.1970(6) 1.2713(4) 0.0408(12) Uani 1 1 d . . . . .
N4 N 0.14529(8) 0.9724(5) 0.6224(3) 0.0242(9) Uani 1 1 d . . . . .
N5 N 0.12384(8) 1.0524(5) 0.5624(3) 0.0263(9) Uani 1 1 d . . . . .
N6 N 0.03490(9) 1.2750(6) 0.4371(4) 0.0346(11) Uani 1 1 d . . . . .
C1 C 0.02686(9) 0.6088(6) 0.7061(4) 0.0217(10) Uani 1 1 d . . . . .
C2 C 0.05214(9) 0.5422(6) 0.7237(4) 0.0229(10) Uani 1 1 d . . . . .
H2 H 0.0570 0.4557 0.6766 0.027 Uiso 1 1 calc R U . . .
C3 C 0.06993(9) 0.6037(6) 0.8100(4) 0.0229(10) Uani 1 1 d . . . . .
H3 H 0.0871 0.5610 0.8193 0.027 Uiso 1 1 calc R U . . .
C4 C 0.06299(9) 0.7280(6) 0.8839(4) 0.0202(10) Uani 1 1 d . . . . .
C5 C 0.03701(9) 0.7832(6) 0.8719(4) 0.0250(10) Uani 1 1 d . . . . .
H5 H 0.0314 0.8589 0.9256 0.030 Uiso 1 1 calc R U . . .
C6 C 0.01926(10) 0.7273(6) 0.7815(4) 0.0274(11) Uani 1 1 d . . . . .
H6 H 0.0021 0.7700 0.7716 0.033 Uiso 1 1 calc R U . . .
C7 C 0.08157(9) 0.8060(6) 0.9700(4) 0.0228(10) Uani 1 1 d . . . . .
H7 H 0.0755 0.8441 1.0393 0.027 Uiso 1 1 calc R U . . .
C8 C 0.14279(9) 0.9640(6) 1.0136(4) 0.0219(10) Uani 1 1 d . . . . .
C9 C 0.16081(10) 1.0484(6) 1.1045(4) 0.0248(11) Uani 1 1 d . . . . .
C10 C 0.18718(12) 1.0542(9) 1.0912(5) 0.0512(18) Uani 1 1 d . . . . .
H10 H 0.1936 1.0089 1.0247 0.061 Uiso 1 1 calc R U . . .
C11 C 0.20418(13) 1.1267(11) 1.1758(5) 0.066(2) Uani 1 1 d . . . . .
H11 H 0.2222 1.1267 1.1655 0.080 Uiso 1 1 calc R U . . .
C12 C 0.17106(12) 1.1968(6) 1.2815(4) 0.0336(13) Uani 1 1 d . . . . .
H12 H 0.1651 1.2499 1.3462 0.040 Uiso 1 1 calc R U . . .
C13 C 0.15262(10) 1.1234(6) 1.2027(4) 0.0264(11) Uani 1 1 d . . . . .
H13 H 0.1347 1.1242 1.2153 0.032 Uiso 1 1 calc R U . . .
C14 C 0.24307(10) 0.8243(7) 0.6942(4) 0.0336(13) Uani 1 1 d . . . . .
C15 C 0.23688(11) 0.8630(7) 0.5774(4) 0.0348(13) Uani 1 1 d . . . . .
H15 H 0.2498 0.8573 0.5249 0.042 Uiso 1 1 calc R U . . .
C16 C 0.21163(11) 0.9097(7) 0.5395(4) 0.0338(13) Uani 1 1 d . . . . .
H16 H 0.2075 0.9358 0.4605 0.041 Uiso 1 1 calc R U . . .
C17 C 0.19189(10) 0.9197(6) 0.6145(4) 0.0273(11) Uani 1 1 d . . . . .
C18 C 0.19864(10) 0.8834(7) 0.7320(4) 0.0326(12) Uani 1 1 d . . . . .
H18 H 0.1859 0.8914 0.7850 0.039 Uiso 1 1 calc R U . . .
C19 C 0.22370(11) 0.8363(8) 0.7708(5) 0.0396(14) Uani 1 1 d . . . . .
H19 H 0.2279 0.8119 0.8500 0.047 Uiso 1 1 calc R U . . .
C20 C 0.16616(10) 0.9779(6) 0.5695(4) 0.0286(12) Uani 1 1 d . . . . .
H20 H 0.1646 1.0241 0.4946 0.034 Uiso 1 1 calc R U . . .
C21 C 0.10216(10) 1.0367(6) 0.6125(4) 0.0244(11) Uani 1 1 d . . . . .
C22 C 0.07910(10) 1.1233(6) 0.5536(4) 0.0240(11) Uani 1 1 d . . . . .
C23 C 0.08153(10) 1.2416(6) 0.4683(4) 0.0285(11) Uani 1 1 d . . . . .
H23 H 0.0982 1.2725 0.4486 0.034 Uiso 1 1 calc R U . . .
C24 C 0.05927(11) 1.3128(6) 0.4132(4) 0.0330(13) Uani 1 1 d . . . . .
H24 H 0.0613 1.3921 0.3559 0.040 Uiso 1 1 calc R U . . .
C25 C 0.03257(11) 1.1624(7) 0.5190(5) 0.0349(13) Uani 1 1 d . . . . .
H25 H 0.0156 1.1348 0.5372 0.042 Uiso 1 1 calc R U . . .
C26 C 0.05386(10) 1.0839(7) 0.5789(4) 0.0307(12) Uani 1 1 d . . . . .
H26 H 0.0512 1.0051 0.6358 0.037 Uiso 1 1 calc R U . . .
Pb2 Pb 0.36977(2) 0.27192(2) 0.15792(2) 0.02482(5) Uani 1 1 d . . . . .
O5 O 0.48944(7) 0.0492(5) 0.1058(3) 0.0313(9) Uani 1 1 d . . . . .
H5A H 0.5024(12) 0.101(7) 0.109(5) 0.038 Uiso 1 1 d . U . . .
O6 O 0.34840(7) 0.4471(5) 0.2727(3) 0.0364(9) Uani 1 1 d . . . . .
O7 O 0.23466(8) 0.2032(6) -0.0469(4) 0.0512(12) Uani 1 1 d . . . . .
H7A H 0.2239(14) 0.213(9) -0.099(6) 0.061 Uiso 1 1 d . U . . .
O8 O 0.40141(7) 0.4458(5) 0.1167(3) 0.0350(9) Uani 1 1 d . . . . .
N7 N 0.39376(8) 0.3238(5) 0.3577(3) 0.0222(9) Uani 1 1 d . . . . .
N8 N 0.37899(8) 0.4070(5) 0.4355(3) 0.0216(9) Uani 1 1 d . . . . .
N9 N 0.30382(9) 0.7062(6) 0.5900(4) 0.0372(11) Uani 1 1 d . . . . .
N10 N 0.35468(8) 0.4658(5) -0.0071(3) 0.0273(10) Uani 1 1 d . . . . .
N11 N 0.37593(8) 0.5531(5) -0.0449(4) 0.0295(10) Uani 1 1 d . . . . .
N12 N 0.46493(9) 0.7739(6) -0.0919(4) 0.0355(11) Uani 1 1 d . . . . .
C27 C 0.47326(9) 0.1071(6) 0.1820(4) 0.0225(10) Uani 1 1 d . . . . .
C28 C 0.44805(10) 0.0404(6) 0.1763(4) 0.0236(11) Uani 1 1 d . . . . .
H28 H 0.4433 -0.0460 0.1247 0.028 Uiso 1 1 calc R U . . .
C29 C 0.42994(10) 0.1021(6) 0.2473(4) 0.0228(10) Uani 1 1 d . . . . .
H29 H 0.4128 0.0594 0.2415 0.027 Uiso 1 1 calc R U . . .
C30 C 0.43691(9) 0.2265(6) 0.3272(4) 0.0216(10) Uani 1 1 d . . . . .
C31 C 0.46257(10) 0.2820(6) 0.3383(4) 0.0256(11) Uani 1 1 d . . . . .
H31 H 0.4679 0.3583 0.3968 0.031 Uiso 1 1 calc R U . . .
C32 C 0.48079(10) 0.2272(6) 0.2645(4) 0.0260(11) Uani 1 1 d . . . . .
H32 H 0.4979 0.2706 0.2704 0.031 Uiso 1 1 calc R U . . .
C33 C 0.41803(9) 0.3051(6) 0.3958(4) 0.0223(10) Uani 1 1 d . . . . .
H33 H 0.4238 0.3435 0.4707 0.027 Uiso 1 1 calc R U . . .
C34 C 0.35683(9) 0.4626(6) 0.3815(4) 0.0222(10) Uani 1 1 d . . . . .
C35 C 0.33895(10) 0.5503(6) 0.4557(4) 0.0232(11) Uani 1 1 d . . . . .
C36 C 0.31235(11) 0.5580(8) 0.4185(5) 0.0396(14) Uani 1 1 d . . . . .
H36 H 0.3058 0.5123 0.3468 0.047 Uiso 1 1 calc R U . . .
C37 C 0.29576(12) 0.6342(8) 0.4889(5) 0.0466(16) Uani 1 1 d . . . . .
H37 H 0.2777 0.6354 0.4642 0.056 Uiso 1 1 calc R U . . .
C38 C 0.32959(11) 0.7037(6) 0.6231(4) 0.0308(12) Uani 1 1 d . . . . .
H38 H 0.3358 0.7571 0.6925 0.037 Uiso 1 1 calc R U . . .
C39 C 0.34757(10) 0.6262(6) 0.5601(4) 0.0251(11) Uani 1 1 d . . . . .
H39 H 0.3655 0.6248 0.5877 0.030 Uiso 1 1 calc R U . . .
C40 C 0.25846(11) 0.2696(7) -0.0558(5) 0.0361(13) Uani 1 1 d . . . . .
C41 C 0.27626(12) 0.2773(10) 0.0425(5) 0.064(2) Uani 1 1 d . . . . .
H41 H 0.2715 0.2362 0.1134 0.076 Uiso 1 1 calc R U . . .
C42 C 0.30090(11) 0.3439(9) 0.0385(5) 0.0514(18) Uani 1 1 d . . . . .
H42 H 0.3126 0.3482 0.1065 0.062 Uiso 1 1 calc R U . . .
C43 C 0.30856(11) 0.4041(7) -0.0639(5) 0.0328(12) Uani 1 1 d . . . . .
C44 C 0.29055(14) 0.4004(12) -0.1593(6) 0.082(3) Uani 1 1 d . . . . .
H44 H 0.2950 0.4453 -0.2296 0.098 Uiso 1 1 calc R U . . .
C45 C 0.26599(13) 0.3324(12) -0.1552(6) 0.083(3) Uani 1 1 d . . . . .
H45 H 0.2542 0.3297 -0.2231 0.099 Uiso 1 1 calc R U . . .
C46 C 0.33394(11) 0.4760(7) -0.0775(5) 0.0353(13) Uani 1 1 d . . . . .
H46 H 0.3353 0.5369 -0.1457 0.042 Uiso 1 1 calc R U . . .
C47 C 0.39775(10) 0.5337(6) 0.0235(4) 0.0253(11) Uani 1 1 d . . . . .
C48 C 0.42078(10) 0.6217(6) -0.0146(4) 0.0249(11) Uani 1 1 d . . . . .
C49 C 0.41842(11) 0.7418(6) -0.1003(4) 0.0292(11) Uani 1 1 d . . . . .
H49 H 0.4017 0.7751 -0.1330 0.035 Uiso 1 1 calc R U . . .
C50 C 0.44066(12) 0.8117(6) -0.1371(5) 0.0341(13) Uani 1 1 d . . . . .
H50 H 0.4386 0.8899 -0.1970 0.041 Uiso 1 1 calc R U . . .
C51 C 0.46717(11) 0.6603(7) -0.0084(5) 0.0363(13) Uani 1 1 d . . . . .
H51 H 0.4841 0.6319 0.0240 0.044 Uiso 1 1 calc R U . . .
C52 C 0.44614(10) 0.5821(7) 0.0334(4) 0.0302(12) Uani 1 1 d . . . . .
H52 H 0.4488 0.5038 0.0930 0.036 Uiso 1 1 calc R U . . .
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'
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
O4 Pb1 O2 96.68(14) . .
O4 Pb1 N4 67.19(13) . .
O2 Pb1 N4 86.52(13) . .
O4 Pb1 N1 79.11(12) . .
O2 Pb1 N1 65.36(12) . .
N4 Pb1 N1 133.05(13) . .
C1 O1 H1A 111(4) . .
C8 O2 Pb1 119.5(3) . .
C14 O3 H3A 114(5) . .
C21 O4 Pb1 118.6(3) . .
C7 N1 N2 115.0(4) . .
C7 N1 Pb1 130.2(3) . .
N2 N1 Pb1 114.0(3) . .
C8 N2 N1 111.2(4) . .
C11 N3 C12 115.9(5) . .
C20 N4 N5 113.4(4) . .
C20 N4 Pb1 132.6(3) . .
N5 N4 Pb1 110.9(3) . .
C21 N5 N4 113.1(4) . .
C25 N6 C24 117.1(5) . .
O1 C1 C6 123.1(4) . .
O1 C1 C2 117.2(4) . .
C6 C1 C2 119.6(4) . .
C3 C2 C1 119.9(5) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C2 C3 C4 121.3(4) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C3 C4 C5 118.1(4) . .
C3 C4 C7 123.3(4) . .
C5 C4 C7 118.5(4) . .
C6 C5 C4 120.8(4) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C1 C6 C5 120.0(5) . .
C1 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
N1 C7 C4 123.0(4) . .
N1 C7 H7 118.5 . .
C4 C7 H7 118.5 . .
O2 C8 N2 127.9(4) . .
O2 C8 C9 116.0(4) . .
N2 C8 C9 116.2(4) . .
C10 C9 C13 117.0(5) . .
C10 C9 C8 118.8(5) . .
C13 C9 C8 124.2(5) . .
C9 C10 C11 119.6(6) . .
C9 C10 H10 120.2 . .
C11 C10 H10 120.2 . .
N3 C11 C10 124.3(6) . .
N3 C11 H11 117.9 . .
C10 C11 H11 117.9 . .
N3 C12 C13 123.9(5) . .
N3 C12 H12 118.1 . .
C13 C12 H12 118.1 . .
C12 C13 C9 119.2(5) . .
C12 C13 H13 120.4 . .
C9 C13 H13 120.4 . .
O3 C14 C15 122.7(5) . .
O3 C14 C19 117.9(5) . .
C15 C14 C19 119.3(5) . .
C16 C15 C14 119.2(5) . .
C16 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
C15 C16 C17 122.2(5) . .
C15 C16 H16 118.9 . .
C17 C16 H16 118.9 . .
C16 C17 C18 117.7(5) . .
C16 C17 C20 119.0(5) . .
C18 C17 C20 123.1(5) . .
C19 C18 C17 120.6(5) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 C14 120.9(5) . .
C18 C19 H19 119.6 . .
C14 C19 H19 119.6 . .
N4 C20 C17 126.0(5) . .
N4 C20 H20 117.0 . .
C17 C20 H20 117.0 . .
O4 C21 N5 127.6(4) . .
O4 C21 C22 117.5(4) . .
N5 C21 C22 114.9(4) . .
C26 C22 C23 117.2(5) . .
C26 C22 C21 120.5(5) . .
C23 C22 C21 122.2(5) . .
C24 C23 C22 119.5(5) . .
C24 C23 H23 120.2 . .
C22 C23 H23 120.2 . .
N6 C24 C23 123.4(5) . .
N6 C24 H24 118.3 . .
C23 C24 H24 118.3 . .
N6 C25 C26 123.5(5) . .
N6 C25 H25 118.3 . .
C26 C25 H25 118.3 . .
C25 C26 C22 119.2(5) . .
C25 C26 H26 120.4 . .
C22 C26 H26 120.4 . .
O8 Pb2 O6 96.97(15) . .
O8 Pb2 N7 78.03(12) . .
O6 Pb2 N7 65.61(12) . .
O8 Pb2 N10 67.47(13) . .
O6 Pb2 N10 85.23(13) . .
N7 Pb2 N10 131.38(13) . .
C27 O5 H5A 111(4) . .
C34 O6 Pb2 119.3(3) . .
C40 O7 H7A 118(5) . .
C47 O8 Pb2 118.8(3) . .
C33 N7 N8 113.6(4) . .
C33 N7 Pb2 130.9(3) . .
N8 N7 Pb2 114.8(3) . .
C34 N8 N7 110.8(4) . .
C38 N9 C37 117.0(5) . .
C46 N10 N11 112.9(4) . .
C46 N10 Pb2 133.8(4) . .
N11 N10 Pb2 111.3(3) . .
C47 N11 N10 112.9(4) . .
C50 N12 C51 117.0(5) . .
O5 C27 C28 117.0(4) . .
O5 C27 C32 123.1(4) . .
C28 C27 C32 119.9(4) . .
C29 C28 C27 119.8(4) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C28 C29 C30 120.8(5) . .
C28 C29 H29 119.6 . .
C30 C29 H29 119.6 . .
C31 C30 C29 118.6(4) . .
C31 C30 C33 118.6(4) . .
C29 C30 C33 122.7(4) . .
C30 C31 C32 121.5(5) . .
C30 C31 H31 119.3 . .
C32 C31 H31 119.3 . .
C27 C32 C31 119.1(5) . .
C27 C32 H32 120.5 . .
C31 C32 H32 120.5 . .
N7 C33 C30 122.4(4) . .
N7 C33 H33 118.8 . .
C30 C33 H33 118.8 . .
O6 C34 N8 127.8(4) . .
O6 C34 C35 116.1(4) . .
N8 C34 C35 116.1(4) . .
C36 C35 C39 117.8(4) . .
C36 C35 C34 118.7(4) . .
C39 C35 C34 123.5(4) . .
C37 C36 C35 118.7(5) . .
C37 C36 H36 120.7 . .
C35 C36 H36 120.7 . .
N9 C37 C36 124.0(6) . .
N9 C37 H37 118.0 . .
C36 C37 H37 118.0 . .
N9 C38 C39 123.1(5) . .
N9 C38 H38 118.5 . .
C39 C38 H38 118.5 . .
C38 C39 C35 119.4(5) . .
C38 C39 H39 120.3 . .
C35 C39 H39 120.3 . .
O7 C40 C45 123.7(5) . .
O7 C40 C41 118.8(5) . .
C45 C40 C41 117.4(6) . .
C42 C41 C40 121.3(6) . .
C42 C41 H41 119.3 . .
C40 C41 H41 119.3 . .
C43 C42 C41 120.7(6) . .
C43 C42 H42 119.6 . .
C41 C42 H42 119.6 . .
C44 C43 C42 117.4(6) . .
C44 C43 C46 117.6(5) . .
C42 C43 C46 125.0(5) . .
C43 C44 C45 121.7(6) . .
C43 C44 H44 119.1 . .
C45 C44 H44 119.1 . .
C40 C45 C44 121.4(6) . .
C40 C45 H45 119.3 . .
C44 C45 H45 119.3 . .
N10 C46 C43 127.1(5) . .
N10 C46 H46 116.4 . .
C43 C46 H46 116.4 . .
O8 C47 N11 127.8(5) . .
O8 C47 C48 117.6(4) . .
N11 C47 C48 114.6(4) . .
C49 C48 C52 117.2(5) . .
C49 C48 C47 122.6(5) . .
C52 C48 C47 120.2(5) . .
C50 C49 C48 119.8(5) . .
C50 C49 H49 120.1 . .
C48 C49 H49 120.1 . .
N12 C50 C49 123.2(5) . .
N12 C50 H50 118.4 . .
C49 C50 H50 118.4 . .
N12 C51 C52 124.1(5) . .
N12 C51 H51 117.9 . .
C52 C51 H51 117.9 . .
C51 C52 C48 118.6(5) . .
C51 C52 H52 120.7 . .
C48 C52 H52 120.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O4 2.243(3) .
Pb1 O2 2.301(3) .
Pb1 N4 2.545(4) .
Pb1 N1 2.555(4) .
O1 C1 1.356(6) .
O1 H1A 0.82(6) .
O2 C8 1.286(5) .
O3 C14 1.347(6) .
O3 H3A 0.87(8) .
O4 C21 1.296(6) .
N1 C7 1.278(6) .
N1 N2 1.413(5) .
N2 C8 1.313(6) .
N3 C11 1.331(8) .
N3 C12 1.333(7) .
N4 C20 1.282(6) .
N4 N5 1.401(5) .
N5 C21 1.307(6) .
N6 C25 1.334(7) .
N6 C24 1.339(7) .
C1 C6 1.384(7) .
C1 C2 1.399(7) .
C2 C3 1.376(7) .
C2 H2 0.9400 .
C3 C4 1.396(6) .
C3 H3 0.9400 .
C4 C5 1.397(7) .
C4 C7 1.453(6) .
C5 C6 1.391(7) .
C5 H5 0.9400 .
C6 H6 0.9400 .
C7 H7 0.9400 .
C8 C9 1.495(7) .
C9 C10 1.374(8) .
C9 C13 1.390(7) .
C10 C11 1.376(8) .
C10 H10 0.9400 .
C11 H11 0.9400 .
C12 C13 1.382(7) .
C12 H12 0.9400 .
C13 H13 0.9400 .
C14 C15 1.391(7) .
C14 C19 1.395(7) .
C15 C16 1.376(7) .
C15 H15 0.9400 .
C16 C17 1.396(7) .
C16 H16 0.9400 .
C17 C18 1.399(7) .
C17 C20 1.447(7) .
C18 C19 1.370(7) .
C18 H18 0.9400 .
C19 H19 0.9400 .
C20 H20 0.9400 .
C21 C22 1.482(7) .
C22 C26 1.389(7) .
C22 C23 1.395(7) .
C23 C24 1.377(7) .
C23 H23 0.9400 .
C24 H24 0.9400 .
C25 C26 1.388(7) .
C25 H25 0.9400 .
C26 H26 0.9400 .
Pb2 O8 2.241(3) .
Pb2 O6 2.300(3) .
Pb2 N7 2.539(4) .
Pb2 N10 2.540(4) .
O5 C27 1.352(5) .
O5 H5A 0.79(6) .
O6 C34 1.293(5) .
O7 C40 1.346(7) .
O7 H7A 0.78(7) .
O8 C47 1.292(6) .
N7 C33 1.285(6) .
N7 N8 1.405(5) .
N8 C34 1.320(6) .
N9 C38 1.336(7) .
N9 C37 1.335(7) .
N10 C46 1.273(7) .
N10 N11 1.406(6) .
N11 C47 1.312(6) .
N12 C50 1.334(7) .
N12 C51 1.337(7) .
C27 C28 1.396(7) .
C27 C32 1.396(7) .
C28 C29 1.391(6) .
C28 H28 0.9400 .
C29 C30 1.396(6) .
C29 H29 0.9400 .
C30 C31 1.383(7) .
C30 C33 1.458(6) .
C31 C32 1.397(7) .
C31 H31 0.9400 .
C32 H32 0.9400 .
C33 H33 0.9400 .
C34 C35 1.497(6) .
C35 C36 1.387(7) .
C35 C39 1.389(7) .
C36 C37 1.381(7) .
C36 H36 0.9400 .
C37 H37 0.9400 .
C38 C39 1.382(7) .
C38 H38 0.9400 .
C39 H39 0.9400 .
C40 C45 1.348(8) .
C40 C41 1.384(8) .
C41 C42 1.378(9) .
C41 H41 0.9400 .
C42 C43 1.372(8) .
C42 H42 0.9400 .
C43 C44 1.364(8) .
C43 C46 1.448(8) .
C44 C45 1.379(9) .
C44 H44 0.9400 .
C45 H45 0.9400 .
C46 H46 0.9400 .
C47 C48 1.484(7) .
C48 C49 1.391(7) .
C48 C52 1.398(7) .
C49 C50 1.378(7) .
C49 H49 0.9400 .
C50 H50 0.9400 .
C51 C52 1.378(7) .
C51 H51 0.9400 .
C52 H52 0.9400 .
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
C7 N1 N2 C8 -161.8(4) . . . .
Pb1 N1 N2 C8 8.8(5) . . . .
C20 N4 N5 C21 175.5(4) . . . .
Pb1 N4 N5 C21 12.9(5) . . . .
O1 C1 C2 C3 176.5(4) . . . .
C6 C1 C2 C3 -5.0(7) . . . .
C1 C2 C3 C4 2.4(7) . . . .
C2 C3 C4 C5 3.2(7) . . . .
C2 C3 C4 C7 -174.9(4) . . . .
C3 C4 C5 C6 -6.3(7) . . . .
C7 C4 C5 C6 171.9(4) . . . .
O1 C1 C6 C5 -179.6(4) . . . .
C2 C1 C6 C5 2.0(7) . . . .
C4 C5 C6 C1 3.7(7) . . . .
N2 N1 C7 C4 178.2(4) . . . .
Pb1 N1 C7 C4 9.4(7) . . . .
C3 C4 C7 N1 31.6(7) . . . .
C5 C4 C7 N1 -146.5(5) . . . .
Pb1 O2 C8 N2 -14.1(7) . . . .
Pb1 O2 C8 C9 165.9(3) . . . .
N1 N2 C8 O2 2.4(7) . . . .
N1 N2 C8 C9 -177.6(4) . . . .
O2 C8 C9 C10 -24.5(7) . . . .
N2 C8 C9 C10 155.5(5) . . . .
O2 C8 C9 C13 155.0(5) . . . .
N2 C8 C9 C13 -24.9(7) . . . .
C13 C9 C10 C11 2.5(10) . . . .
C8 C9 C10 C11 -177.9(6) . . . .
C12 N3 C11 C10 -1.1(11) . . . .
C9 C10 C11 N3 -1.5(13) . . . .
C11 N3 C12 C13 2.8(9) . . . .
N3 C12 C13 C9 -1.9(8) . . . .
C10 C9 C13 C12 -0.9(8) . . . .
C8 C9 C13 C12 179.5(5) . . . .
O3 C14 C15 C16 -178.9(6) . . . .
C19 C14 C15 C16 -1.1(9) . . . .
C14 C15 C16 C17 0.0(9) . . . .
C15 C16 C17 C18 1.3(8) . . . .
C15 C16 C17 C20 176.8(5) . . . .
C16 C17 C18 C19 -1.4(8) . . . .
C20 C17 C18 C19 -176.8(6) . . . .
C17 C18 C19 C14 0.3(9) . . . .
O3 C14 C19 C18 178.9(6) . . . .
C15 C14 C19 C18 1.0(9) . . . .
N5 N4 C20 C17 174.0(5) . . . .
Pb1 N4 C20 C17 -28.3(8) . . . .
C16 C17 C20 N4 169.6(5) . . . .
C18 C17 C20 N4 -15.1(9) . . . .
Pb1 O4 C21 N5 -11.8(7) . . . .
Pb1 O4 C21 C22 167.3(3) . . . .
N4 N5 C21 O4 -2.4(7) . . . .
N4 N5 C21 C22 178.4(4) . . . .
O4 C21 C22 C26 -15.9(7) . . . .
N5 C21 C22 C26 163.4(5) . . . .
O4 C21 C22 C23 166.6(4) . . . .
N5 C21 C22 C23 -14.1(7) . . . .
C26 C22 C23 C24 -0.3(7) . . . .
C21 C22 C23 C24 177.3(4) . . . .
C25 N6 C24 C23 0.2(8) . . . .
C22 C23 C24 N6 0.1(8) . . . .
C24 N6 C25 C26 -0.4(8) . . . .
N6 C25 C26 C22 0.2(8) . . . .
C23 C22 C26 C25 0.2(7) . . . .
C21 C22 C26 C25 -177.5(4) . . . .
C33 N7 N8 C34 162.4(4) . . . .
Pb2 N7 N8 C34 -9.6(5) . . . .
C46 N10 N11 C47 -175.7(5) . . . .
Pb2 N10 N11 C47 -9.6(5) . . . .
O5 C27 C28 C29 -175.9(4) . . . .
C32 C27 C28 C29 4.6(7) . . . .
C27 C28 C29 C30 -2.2(7) . . . .
C28 C29 C30 C31 -3.1(7) . . . .
C28 C29 C30 C33 174.3(4) . . . .
C29 C30 C31 C32 6.0(7) . . . .
C33 C30 C31 C32 -171.5(4) . . . .
O5 C27 C32 C31 178.8(4) . . . .
C28 C27 C32 C31 -1.8(7) . . . .
C30 C31 C32 C27 -3.5(7) . . . .
N8 N7 C33 C30 -178.1(4) . . . .
Pb2 N7 C33 C30 -7.6(7) . . . .
C31 C30 C33 N7 145.7(5) . . . .
C29 C30 C33 N7 -31.7(7) . . . .
Pb2 O6 C34 N8 10.4(7) . . . .
Pb2 O6 C34 C35 -167.7(3) . . . .
N7 N8 C34 O6 0.4(7) . . . .
N7 N8 C34 C35 178.5(4) . . . .
O6 C34 C35 C36 22.1(7) . . . .
N8 C34 C35 C36 -156.3(5) . . . .
O6 C34 C35 C39 -157.4(5) . . . .
N8 C34 C35 C39 24.3(7) . . . .
C39 C35 C36 C37 -2.7(8) . . . .
C34 C35 C36 C37 177.9(5) . . . .
C38 N9 C37 C36 0.3(10) . . . .
C35 C36 C37 N9 2.2(10) . . . .
C37 N9 C38 C39 -2.3(8) . . . .
N9 C38 C39 C35 1.8(8) . . . .
C36 C35 C39 C38 0.8(7) . . . .
C34 C35 C39 C38 -179.7(5) . . . .
O7 C40 C41 C42 180.0(7) . . . .
C45 C40 C41 C42 -1.1(12) . . . .
C40 C41 C42 C43 -0.3(12) . . . .
C41 C42 C43 C44 2.3(11) . . . .
C41 C42 C43 C46 -179.8(7) . . . .
C42 C43 C44 C45 -2.8(13) . . . .
C46 C43 C44 C45 179.1(8) . . . .
O7 C40 C45 C44 179.4(8) . . . .
C41 C40 C45 C44 0.5(14) . . . .
C43 C44 C45 C40 1.5(16) . . . .
N11 N10 C46 C43 -178.6(5) . . . .
Pb2 N10 C46 C43 19.4(9) . . . .
C44 C43 C46 N10 -166.5(7) . . . .
C42 C43 C46 N10 15.6(10) . . . .
Pb2 O8 C47 N11 10.6(7) . . . .
Pb2 O8 C47 C48 -167.7(3) . . . .
N10 N11 C47 O8 0.6(7) . . . .
N10 N11 C47 C48 179.0(4) . . . .
O8 C47 C48 C49 -168.2(5) . . . .
N11 C47 C48 C49 13.2(7) . . . .
O8 C47 C48 C52 13.6(7) . . . .
N11 C47 C48 C52 -164.9(4) . . . .
C52 C48 C49 C50 2.3(7) . . . .
C47 C48 C49 C50 -175.9(5) . . . .
C51 N12 C50 C49 1.2(8) . . . .
C48 C49 C50 N12 -2.2(8) . . . .
C50 N12 C51 C52 -0.4(8) . . . .
N12 C51 C52 C48 0.7(8) . . . .
C49 C48 C52 C51 -1.6(7) . . . .
C47 C48 C52 C51 176.7(5) . . . .
