#------------------------------------------------------------------------------
#$Date: 2021-03-03 12:46:08 +0200 (Wed, 03 Mar 2021) $
#$Revision: 262400 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/07/1560799.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_1560799
loop_
_publ_author_name
'Fan, Liming'
'Zhao, Li'
'Wang, Jiang'
'Lv, Hongxiao'
'Zhang, Yujuan'
'Hu, Tuoping'
'Zhang, Xiutang'
_publ_section_title
;
 Aromatic 3,5-Di(2′,4′-dicarboxylphenyl)benozoic acid based
 coordination polymers as luminescent sensor for the sensitive detection
 of chromate anions in aqueous solution
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              189
_journal_page_last               195
_journal_paper_doi               10.1016/j.jssc.2018.07.021
_journal_volume                  266
_journal_year                    2018
_chemical_formula_sum            'C41 H29 N6 O12 Pb2'
_chemical_formula_weight         1212.08
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 122.1570(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.1775(11)
_cell_length_b                   14.0057(5)
_cell_length_c                   25.8912(14)
_cell_measurement_reflns_used    4325
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.872
_cell_measurement_theta_min      2.834
_cell_volume                     8650.4(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            54668
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.97
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.842
_exptl_absorpt_correction_T_max  0.3491
_exptl_absorpt_correction_T_min  0.1263
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4616
_exptl_crystal_size_max          0.238
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.097
_platon_squeeze_details
;
;
_refine_diff_density_max         2.756
_refine_diff_density_min         -1.416
_refine_diff_density_rms         0.448
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         7406
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1048
_refine_ls_R_factor_gt           0.0975
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2582
_refine_ls_wR_factor_ref         0.2785
_reflns_number_gt                6321
_reflns_number_total             7406
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1560799
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1B Pb 0.7597(14) 0.6567(18) 0.4686(16) 0.0632(16) Uani 0.50(4) 1 d P . 2
Pb2B Pb 0.4564(11) 1.2808(17) 0.3226(9) 0.0634(14) Uani 0.50(3) 1 d P . 2
O6 O 0.4676(2) 1.1043(4) 0.3268(3) 0.0406(13) Uani 1 1 d . . .
O10 O 0.6711(2) 0.6416(5) 0.4084(3) 0.0450(13) Uani 1 1 d . . .
O8 O 0.5168(3) 0.4066(4) 0.3450(4) 0.0557(18) Uani 1 1 d . . .
N5 N 0.8093(3) 0.5786(5) 0.4430(3) 0.0417(15) Uani 1 1 d . . .
O9 O 0.6564(3) 0.7644(4) 0.4538(3) 0.0424(13) Uani 1 1 d . . .
O5 O 0.5315(3) 1.1981(4) 0.3304(4) 0.0494(16) Uani 1 1 d . . .
O7 O 0.4327(3) 0.4544(4) 0.3159(4) 0.0488(15) Uani 1 1 d . . .
O3 O 0.7495(3) 0.7958(6) 0.4167(4) 0.062(2) Uani 1 1 d . . .
O12 O 0.4195(3) 1.2962(5) 0.2222(3) 0.0535(16) Uani 1 1 d . . .
H12A H 0.3912 1.2568 0.2008 0.080 Uiso 1 1 d R . .
H12B H 0.4451 1.2838 0.2133 0.080 Uiso 1 1 d R . .
O2 O 0.8582(3) 0.9871(6) 0.3419(3) 0.0533(16) Uani 1 1 d . . .
H2 H 0.8570 0.9310 0.3501 0.080 Uiso 1 1 calc R . .
N4 N 0.3652(3) 1.2612(5) 0.3014(3) 0.0405(15) Uani 1 1 d . . .
O4 O 0.7288(3) 0.9222(5) 0.4529(3) 0.0545(17) Uani 1 1 d . . .
O1 O 0.8040(3) 1.0423(7) 0.2466(3) 0.067(2) Uani 1 1 d . . .
N3 N 0.2722(3) 1.2591(5) 0.2427(3) 0.0385(14) Uani 1 1 d . . .
N2 N 0.0589(3) 1.2209(6) 0.0303(4) 0.0501(19) Uani 1 1 d . . .
N6 N 0.8856(3) 0.5251(6) 0.4516(3) 0.0426(16) Uani 1 1 d . . .
C17 C 0.6056(3) 0.8710(5) 0.3319(3) 0.0296(14) Uani 1 1 d . . .
H17 H 0.6266 0.8181 0.3341 0.035 Uiso 1 1 calc R . .
C13 C 0.5122(3) 1.1152(5) 0.3275(3) 0.0304(14) Uani 1 1 d . . .
C19 C 0.5277(3) 0.9389(5) 0.3340(3) 0.0290(14) Uani 1 1 d . . .
H19 H 0.4959 0.9321 0.3361 0.035 Uiso 1 1 calc R . .
C21 C 0.5775(3) 0.6855(5) 0.3731(3) 0.0293(14) Uani 1 1 d . . .
C14 C 0.5452(3) 1.0290(5) 0.3284(3) 0.0286(14) Uani 1 1 d . . .
N1 N -0.0071(3) 1.2164(6) -0.0675(4) 0.0495(19) Uani 1 1 d . . .
C22 C 0.5585(3) 0.5930(5) 0.3698(4) 0.0341(15) Uani 1 1 d . . .
H22 H 0.5841 0.5442 0.3907 0.041 Uiso 1 1 calc R . .
C18 C 0.5587(3) 0.8579(5) 0.3364(3) 0.0274(13) Uani 1 1 d . . .
C16 C 0.6218(3) 0.9621(5) 0.3241(3) 0.0298(14) Uani 1 1 d . . .
C20 C 0.5401(3) 0.7613(5) 0.3403(3) 0.0303(14) Uani 1 1 d . . .
C15 C 0.5908(3) 1.0411(5) 0.3233(3) 0.0300(14) Uani 1 1 d . . .
H15 H 0.6012 1.1023 0.3192 0.036 Uiso 1 1 calc R . .
C24 C 0.4632(3) 0.6471(6) 0.3055(4) 0.0379(17) Uani 1 1 d . . .
H24 H 0.4249 0.6355 0.2845 0.045 Uiso 1 1 calc R . .
C23 C 0.5009(3) 0.5728(5) 0.3352(4) 0.0345(15) Uani 1 1 d . . .
C30 C 0.7075(3) 1.0313(6) 0.2576(4) 0.0380(17) Uani 1 1 d . . .
H30 H 0.7013 1.0607 0.2223 0.046 Uiso 1 1 calc R . .
C27 C 0.6402(3) 0.6999(5) 0.4152(3) 0.0321(15) Uani 1 1 d . . .
C29 C 0.6642(3) 1.0209(5) 0.2664(4) 0.0338(15) Uani 1 1 d . . .
H29 H 0.6292 1.0456 0.2376 0.041 Uiso 1 1 calc R . .
C37 C 0.8420(4) 0.4877(8) 0.3984(5) 0.054(2) Uani 1 1 d . . .
H37 H 0.8447 0.4477 0.3714 0.065 Uiso 1 1 calc R . .
C25 C 0.4830(3) 0.7393(5) 0.3073(4) 0.0327(15) Uani 1 1 d . . .
H25 H 0.4573 0.7876 0.2858 0.039 Uiso 1 1 calc R . .
C31 C 0.7621(3) 0.9976(6) 0.3020(4) 0.0339(15) Uani 1 1 d . . .
C28 C 0.6708(3) 0.9738(5) 0.3178(3) 0.0308(14) Uani 1 1 d . . .
C39 C 0.9435(4) 0.5103(7) 0.4756(4) 0.045(2) Uani 1 1 d . . .
C33 C 0.7233(3) 0.9381(6) 0.3600(3) 0.0343(15) Uani 1 1 d . . .
C38 C 0.8630(4) 0.5809(8) 0.4762(5) 0.051(2) Uani 1 1 d . . .
H38 H 0.8836 0.6157 0.5121 0.061 Uiso 1 1 calc R . .
C36 C 0.7944(4) 0.5200(8) 0.3928(5) 0.056(2) Uani 1 1 d . . .
H36 H 0.7581 0.5058 0.3612 0.067 Uiso 1 1 calc R . .
C32 C 0.7689(3) 0.9496(6) 0.3531(4) 0.0355(16) Uani 1 1 d . . .
H32 H 0.8038 0.9254 0.3825 0.043 Uiso 1 1 calc R . .
C34 C 0.8094(3) 1.0118(6) 0.2932(4) 0.0384(17) Uani 1 1 d . . .
C26 C 0.4833(4) 0.4712(5) 0.3322(4) 0.0397(17) Uani 1 1 d . . .
C41 C 0.9784(4) 0.4914(8) 0.5371(4) 0.052(2) Uani 1 1 d . . .
H41 H 0.9636 0.4874 0.5618 0.063 Uiso 1 1 calc R . .
C12 C 0.3224(4) 1.2712(6) 0.2460(4) 0.0415(19) Uani 1 1 d . . .
H12 H 0.3253 1.2850 0.2126 0.050 Uiso 1 1 calc R . .
C6 C 0.1716(4) 1.2733(7) 0.1920(4) 0.048(2) Uani 1 1 d . . .
H6 H 0.1754 1.2930 0.2283 0.057 Uiso 1 1 calc R . .
C8 C 0.2135(4) 1.2248(8) 0.1352(5) 0.053(2) Uani 1 1 d . . .
H8 H 0.2457 1.2103 0.1353 0.064 Uiso 1 1 calc R . .
C7 C 0.2184(3) 1.2545(6) 0.1890(4) 0.0380(16) Uani 1 1 d . . .
C40 C 0.9641(4) 0.5217(8) 0.4375(4) 0.053(2) Uani 1 1 d . . .
H40 H 0.9404 0.5376 0.3966 0.064 Uiso 1 1 calc R . .
C4 C 0.1132(4) 1.2347(7) 0.0843(4) 0.049(2) Uani 1 1 d . . .
C10 C 0.2863(4) 1.2413(7) 0.3016(4) 0.0442(18) Uani 1 1 d . . .
H10 H 0.2616 1.2311 0.3145 0.053 Uiso 1 1 calc R . .
C5 C 0.1180(4) 1.2620(9) 0.1387(5) 0.055(2) Uani 1 1 d . . .
H5 H 0.0860 1.2726 0.1399 0.066 Uiso 1 1 calc R . .
C11 C 0.3436(4) 1.2416(7) 0.3373(4) 0.0427(18) Uani 1 1 d . . .
H11 H 0.3646 1.2304 0.3791 0.051 Uiso 1 1 calc R . .
C9 C 0.1610(5) 1.2160(9) 0.0807(5) 0.060(3) Uani 1 1 d . . .
H9 H 0.1577 1.1989 0.0442 0.072 Uiso 1 1 calc R . .
C35 C 0.7344(3) 0.8805(7) 0.4150(4) 0.044(2) Uani 1 1 d . . .
C3 C 0.0458(4) 1.2431(8) -0.0275(4) 0.052(2) Uani 1 1 d . . .
H3 H 0.0698 1.2719 -0.0373 0.062 Uiso 1 1 calc R . .
C1 C -0.0267(5) 1.1754(10) -0.0335(6) 0.070(4) Uani 1 1 d . . .
H1 H -0.0624 1.1502 -0.0497 0.084 Uiso 1 1 calc R . .
C2 C 0.0134(5) 1.1776(11) 0.0262(5) 0.072(4) Uani 1 1 d . . .
H2A H 0.0108 1.1543 0.0582 0.087 Uiso 1 1 calc R . .
O11 O 0.6436(5) 0.4766(8) 0.3257(5) 0.079(3) Uani 1 1 d D . .
H11A H 0.617(5) 0.453(16) 0.329(6) 0.119 Uiso 1 1 d D . .
H11B H 0.636(6) 0.489(10) 0.290(3) 0.07(4) Uiso 1 1 d D . .
Pb1A Pb 0.7636(14) 0.6710(18) 0.4725(16) 0.0632(16) Uani 0.50(4) 1 d P . 1
Pb2A Pb 0.4570(11) 1.2777(17) 0.3326(9) 0.0634(14) Uani 0.50(3) 1 d P . 1
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
O10 Pb1B N5 115.2(13) . .
O10 Pb1B O4 99.5(13) . 7_666
N5 Pb1B O4 103.4(15) . 7_666
O10 Pb1B O3 85.6(13) . .
N5 Pb1B O3 98.8(14) . .
O4 Pb1B O3 152.3(14) 7_666 .
O10 Pb1B O9 154.4(15) . 7_666
N5 Pb1B O9 88.9(13) . 7_666
O4 Pb1B O9 82.0(12) 7_666 7_666
O3 Pb1B O9 82.0(8) . 7_666
O10 Pb1B Pb1B 90.1(16) . 7_666
N5 Pb1B Pb1B 150.7(17) . 7_666
O4 Pb1B Pb1B 85.5(15) 7_666 7_666
O3 Pb1B Pb1B 67.1(10) . 7_666
O9 Pb1B Pb1B 64.4(8) 7_666 7_666
O12 Pb2B O8 92.4(7) . 1_565
O12 Pb2B O5 89.2(7) . .
O8 Pb2B O5 80.9(9) 1_565 .
O12 Pb2B N4 88.1(9) . .
O8 Pb2B N4 136.2(12) 1_565 .
O5 Pb2B N4 142.8(12) . .
O12 Pb2B N1 173.1(12) . 8_576
O8 Pb2B N1 84.2(8) 1_565 8_576
O5 Pb2B N1 96.1(9) . 8_576
N4 Pb2B N1 90.3(7) . 8_576
O12 Pb2B O6 96.7(9) . .
O8 Pb2B O6 133.7(12) 1_565 .
O5 Pb2B O6 54.0(6) . .
N4 Pb2B O6 89.5(8) . .
N1 Pb2B O6 90.0(7) 8_576 .
O12 Pb2B O7 83.3(7) . 1_565
O8 Pb2B O7 53.7(6) 1_565 1_565
O5 Pb2B O7 133.4(10) . 1_565
N4 Pb2B O7 83.0(8) . 1_565
N1 Pb2B O7 89.8(8) 8_576 1_565
O6 Pb2B O7 172.6(12) . 1_565
O12 Pb2B C26 86.9(7) . 1_565
O8 Pb2B C26 26.1(4) 1_565 1_565
O5 Pb2B C26 106.3(9) . 1_565
N4 Pb2B C26 110.5(10) . 1_565
N1 Pb2B C26 87.4(8) 8_576 1_565
O6 Pb2B C26 159.8(12) . 1_565
O7 Pb2B C26 27.6(4) 1_565 1_565
O12 Pb2B C13 92.0(8) . .
O8 Pb2B C13 107.7(10) 1_565 .
O5 Pb2B C13 27.1(4) . .
N4 Pb2B C13 116.0(10) . .
N1 Pb2B C13 94.7(8) 8_576 .
O6 Pb2B C13 27.0(3) . .
O7 Pb2B C13 160.3(10) 1_565 .
C26 Pb2B C13 133.4(10) 1_565 .
C13 O6 Pb2A 91.8(7) . .
C13 O6 Pb2B 89.0(7) . .
Pb2A O6 Pb2B 5.8(7) . .
C27 O10 Pb1B 117.2(9) . .
C27 O10 Pb1A 112.9(9) . .
Pb1B O10 Pb1A 4.9(13) . .
C26 O8 Pb2B 97.9(8) . 1_545
C26 O8 Pb2A 97.9(8) . 1_545
Pb2B O8 Pb2A 6.0(8) 1_545 1_545
C38 N5 C36 107.6(7) . .
C38 N5 Pb1B 120.8(10) . .
C36 N5 Pb1B 131.7(10) . .
C38 N5 Pb1A 116.5(10) . .
C36 N5 Pb1A 135.8(10) . .
Pb1B N5 Pb1A 5.4(12) . .
C27 O9 Pb1A 139.2(10) . 7_666
C27 O9 Pb1B 141.6(10) . 7_666
Pb1A O9 Pb1B 3.4(16) 7_666 7_666
C13 O5 Pb2B 96.2(8) . .
C13 O5 Pb2A 94.2(7) . .
Pb2B O5 Pb2A 5.8(7) . .
C26 O7 Pb2B 86.9(8) . 1_545
C26 O7 Pb2A 88.3(8) . 1_545
Pb2B O7 Pb2A 5.7(7) 1_545 1_545
C35 O3 Pb1A 136.6(11) . .
C35 O3 Pb1B 139.4(10) . .
Pb1A O3 Pb1B 4.7(14) . .
Pb2B O12 Pb2A 2.0(12) . .
Pb2B O12 H12A 111.9 . .
Pb2B O12 H12B 110.1 . .
H12A O12 H12B 107.8 . .
C34 O2 H2 109.5 . .
C12 N4 C11 106.4(7) . .
C12 N4 Pb2A 126.3(7) . .
C11 N4 Pb2A 127.3(7) . .
C12 N4 Pb2B 120.2(7) . .
C11 N4 Pb2B 133.4(7) . .
Pb2A N4 Pb2B 6.1(8) . .
C35 O4 Pb1B 119.2(10) . 7_666
C35 O4 Pb1A 114.7(9) . 7_666
Pb1B O4 Pb1A 5.6(11) 7_666 7_666
C10 N3 C12 105.8(7) . .
C10 N3 C7 127.4(7) . .
C12 N3 C7 126.5(8) . .
C2 N2 C3 108.6(8) . .
C2 N2 C4 127.2(9) . .
C3 N2 C4 124.1(8) . .
C38 N6 C37 107.3(8) . .
C38 N6 C39 126.4(8) . .
C37 N6 C39 126.3(7) . .
C18 C17 C16 121.6(6) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
O6 C13 O5 120.5(6) . .
O6 C13 C14 120.2(7) . .
O5 C13 C14 119.2(7) . .
O6 C13 Pb2B 64.0(6) . .
O5 C13 Pb2B 56.7(6) . .
C14 C13 Pb2B 175.5(7) . .
O6 C13 Pb2A 61.5(6) . .
O5 C13 Pb2A 59.0(6) . .
C14 C13 Pb2A 176.6(7) . .
Pb2B C13 Pb2A 5.2(6) . .
C14 C19 C18 119.2(6) . .
C14 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
C22 C21 C20 121.6(7) . .
C22 C21 C27 115.6(6) . .
C20 C21 C27 122.8(6) . .
C15 C14 C19 121.7(6) . .
C15 C14 C13 119.9(6) . .
C19 C14 C13 118.4(6) . .
C3 N1 C1 106.2(8) . .
C3 N1 Pb2A 121.4(9) . 8_475
C1 N1 Pb2A 131.7(10) . 8_475
C3 N1 Pb2B 120.0(9) . 8_475
C1 N1 Pb2B 132.7(9) . 8_475
Pb2A N1 Pb2B 2.3(12) 8_475 8_475
C21 C22 C23 120.3(7) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C17 C18 C19 118.7(6) . .
C17 C18 C20 120.8(6) . .
C19 C18 C20 120.4(6) . .
C15 C16 C17 118.1(6) . .
C15 C16 C28 121.4(7) . .
C17 C16 C28 120.5(7) . .
C25 C20 C21 116.7(7) . .
C25 C20 C18 119.8(7) . .
C21 C20 C18 123.4(7) . .
C14 C15 C16 120.6(6) . .
C14 C15 H15 119.7 . .
C16 C15 H15 119.7 . .
C23 C24 C25 120.0(7) . .
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
C24 C23 C22 119.0(7) . .
C24 C23 C26 123.3(7) . .
C22 C23 C26 117.7(7) . .
C29 C30 C31 120.4(7) . .
C29 C30 H30 119.8 . .
C31 C30 H30 119.8 . .
O9 C27 O10 126.3(7) . .
O9 C27 C21 117.7(7) . .
O10 C27 C21 115.9(7) . .
C30 C29 C28 122.0(7) . .
C30 C29 H29 119.0 . .
C28 C29 H29 119.0 . .
C36 C37 N6 106.7(8) . .
C36 C37 H37 126.6 . .
N6 C37 H37 126.6 . .
C20 C25 C24 122.3(7) . .
C20 C25 H25 118.9 . .
C24 C25 H25 118.9 . .
C32 C31 C30 117.9(7) . .
C32 C31 C34 121.8(7) . .
C30 C31 C34 120.3(7) . .
C33 C28 C29 117.6(7) . .
C33 C28 C16 122.9(7) . .
C29 C28 C16 119.6(7) . .
C41 C39 C40 122.0(9) . .
C41 C39 N6 118.7(8) . .
C40 C39 N6 119.2(8) . .
C28 C33 C32 122.0(7) . .
C28 C33 C35 122.0(7) . .
C32 C33 C35 116.0(7) . .
N5 C38 N6 110.5(8) . .
N5 C38 H38 124.8 . .
N6 C38 H38 124.8 . .
C37 C36 N5 107.9(9) . .
C37 C36 H36 126.1 . .
N5 C36 H36 126.1 . .
C33 C32 C31 120.1(7) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
O1 C34 O2 123.8(7) . .
O1 C34 C31 123.8(8) . .
O2 C34 C31 112.5(7) . .
O8 C26 O7 121.4(7) . .
O8 C26 C23 120.3(8) . .
O7 C26 C23 118.3(7) . .
O8 C26 Pb2B 56.0(7) . 1_545
O7 C26 Pb2B 65.5(7) . 1_545
C23 C26 Pb2B 175.2(7) . 1_545
O8 C26 Pb2A 56.7(7) . 1_545
O7 C26 Pb2A 64.7(7) . 1_545
C23 C26 Pb2A 176.4(8) . 1_545
Pb2B C26 Pb2A 5.1(6) 1_545 1_545
C39 C41 C40 120.1(8) . 5_766
C39 C41 H41 120.0 . .
C40 C41 H41 120.0 5_766 .
N4 C12 N3 111.9(8) . .
N4 C12 H12 124.1 . .
N3 C12 H12 124.1 . .
C7 C6 C5 118.7(9) . .
C7 C6 H6 120.7 . .
C5 C6 H6 120.7 . .
C7 C8 C9 121.7(10) . .
C7 C8 H8 119.1 . .
C9 C8 H8 119.1 . .
C8 C7 C6 121.4(8) . .
C8 C7 N3 119.0(8) . .
C6 C7 N3 119.5(8) . .
C39 C40 C41 117.9(9) . 5_766
C39 C40 H40 121.1 . .
C41 C40 H40 121.1 5_766 .
C5 C4 C9 122.0(8) . .
C5 C4 N2 120.0(9) . .
C9 C4 N2 117.9(9) . .
C11 C10 N3 106.8(8) . .
C11 C10 H10 126.6 . .
N3 C10 H10 126.6 . .
C4 C5 C6 119.7(9) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C10 C11 N4 109.2(8) . .
C10 C11 H11 125.4 . .
N4 C11 H11 125.4 . .
C8 C9 C4 116.4(10) . .
C8 C9 H9 121.8 . .
C4 C9 H9 121.8 . .
O4 C35 O3 127.6(8) . .
O4 C35 C33 116.8(9) . .
O3 C35 C33 115.6(9) . .
N1 C3 N2 108.8(9) . .
N1 C3 H3 125.6 . .
N2 C3 H3 125.6 . .
C2 C1 N1 110.2(10) . .
C2 C1 H1 124.9 . .
N1 C1 H1 124.9 . .
C1 C2 N2 106.1(10) . .
C1 C2 H2A 126.9 . .
N2 C2 H2A 126.9 . .
H11A O11 H11B 118(4) . .
O3 Pb1A O9 89.2(9) . 7_666
O3 Pb1A N5 100.0(14) . .
O9 Pb1A N5 91.3(13) 7_666 .
O3 Pb1A O4 160.6(15) . 7_666
O9 Pb1A O4 84.8(13) 7_666 7_666
N5 Pb1A O4 98.6(13) . 7_666
O3 Pb1A O10 85.8(13) . .
O9 Pb1A O10 161.5(16) 7_666 .
N5 Pb1A O10 107.0(11) . .
O4 Pb1A O10 94.1(11) 7_666 .
O3 Pb1A Pb1A 73.3(12) . 7_666
O9 Pb1A Pb1A 71.7(10) 7_666 7_666
N5 Pb1A Pb1A 161.5(18) . 7_666
O4 Pb1A Pb1A 87.3(16) 7_666 7_666
O10 Pb1A Pb1A 89.9(17) . 7_666
N1 Pb2A N4 98.3(8) 8_576 .
N1 Pb2A O8 87.9(9) 8_576 1_565
N4 Pb2A O8 135.8(11) . 1_565
N1 Pb2A O5 100.5(10) 8_576 .
N4 Pb2A O5 141.9(11) . .
O8 Pb2A O5 77.9(8) 1_565 .
N1 Pb2A O6 96.5(8) 8_576 .
N4 Pb2A O6 91.7(9) . .
O8 Pb2A O6 131.2(11) 1_565 .
O5 Pb2A O6 53.5(6) . .
N1 Pb2A O12 171.7(12) 8_576 .
N4 Pb2A O12 84.0(8) . .
O8 Pb2A O12 85.0(6) 1_565 .
O5 Pb2A O12 82.1(6) . .
O6 Pb2A O12 91.4(8) . .
N1 Pb2A O7 94.4(9) 8_576 1_565
N4 Pb2A O7 83.5(8) . 1_565
O8 Pb2A O7 52.4(5) 1_565 1_565
O5 Pb2A O7 127.3(9) . 1_565
O6 Pb2A O7 168.7(10) . 1_565
O12 Pb2A O7 77.9(6) . 1_565
N1 Pb2A C13 99.5(9) 8_576 .
N4 Pb2A C13 117.2(10) . .
O8 Pb2A C13 104.6(9) 1_565 .
O5 Pb2A C13 26.8(3) . .
O6 Pb2A C13 26.7(3) . .
O12 Pb2A C13 86.4(7) . .
O7 Pb2A C13 152.8(9) 1_565 .
N1 Pb2A C26 90.6(8) 8_576 1_565
N4 Pb2A C26 110.4(10) . 1_565
O8 Pb2A C26 25.4(4) 1_565 1_565
O5 Pb2A C26 102.2(8) . 1_565
O6 Pb2A C26 155.5(10) . 1_565
O12 Pb2A C26 81.1(6) . 1_565
O7 Pb2A C26 26.9(3) 1_565 1_565
C13 Pb2A C26 129.0(9) . 1_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1B O10 2.14(3) .
Pb1B N5 2.14(3) .
Pb1B O4 2.18(4) 7_666
Pb1B O3 2.29(3) .
Pb1B O9 2.41(3) 7_666
Pb1B Pb1B 3.27(5) 7_666
Pb2B O12 2.24(2) .
Pb2B O8 2.30(3) 1_565
Pb2B O5 2.33(3) .
Pb2B N4 2.34(3) .
Pb2B N1 2.456(19) 8_576
Pb2B O6 2.49(2) .
Pb2B O7 2.50(3) 1_565
Pb2B C26 2.75(3) 1_565
Pb2B C13 2.77(3) .
O6 C13 1.256(10) .
O6 Pb2A 2.46(2) .
O10 C27 1.273(11) .
O10 Pb1A 2.26(3) .
O8 C26 1.219(11) .
O8 Pb2B 2.30(3) 1_545
O8 Pb2A 2.37(2) 1_545
N5 C38 1.282(13) .
N5 C36 1.398(13) .
N5 Pb1A 2.23(3) .
O9 C27 1.240(11) .
O9 Pb1A 2.23(3) 7_666
O9 Pb1B 2.41(3) 7_666
O5 C13 1.267(10) .
O5 Pb2A 2.41(3) .
O7 C26 1.274(11) .
O7 Pb2B 2.50(3) 1_545
O7 Pb2A 2.54(2) 1_545
O3 C35 1.254(14) .
O3 Pb1A 2.17(3) .
O12 Pb2A 2.479(18) .
O12 H12A 0.8826 .
O12 H12B 0.8827 .
O2 C34 1.323(11) .
O2 H2 0.8200 .
N4 C12 1.300(13) .
N4 C11 1.383(13) .
N4 Pb2A 2.27(3) .
O4 C35 1.222(13) .
O4 Pb1B 2.18(4) 7_666
O4 Pb1A 2.24(4) 7_666
O1 C34 1.211(11) .
N3 C10 1.378(12) .
N3 C12 1.381(11) .
N3 C7 1.411(11) .
N2 C2 1.370(14) .
N2 C3 1.373(13) .
N2 C4 1.434(11) .
N6 C38 1.362(12) .
N6 C37 1.370(13) .
N6 C39 1.419(11) .
C17 C18 1.399(10) .
C17 C16 1.406(10) .
C17 H17 0.9300 .
C13 C14 1.517(9) .
C13 Pb2A 2.80(3) .
C19 C14 1.390(10) .
C19 C18 1.414(10) .
C19 H19 0.9300 .
C21 C22 1.387(10) .
C21 C20 1.416(10) .
C21 C27 1.515(10) .
C14 C15 1.370(11) .
N1 C3 1.338(13) .
N1 C1 1.389(15) .
N1 Pb2A 2.22(2) 8_475
N1 Pb2B 2.456(19) 8_475
C22 C23 1.405(11) .
C22 H22 0.9300 .
C18 C20 1.473(10) .
C16 C15 1.403(11) .
C16 C28 1.483(10) .
C20 C25 1.397(11) .
C15 H15 0.9300 .
C24 C23 1.389(12) .
C24 C25 1.398(11) .
C24 H24 0.9300 .
C23 C26 1.495(11) .
C30 C29 1.363(11) .
C30 C31 1.425(12) .
C30 H30 0.9300 .
C29 C28 1.407(11) .
C29 H29 0.9300 .
C37 C36 1.349(15) .
C37 H37 0.9300 .
C25 H25 0.9300 .
C31 C32 1.403(11) .
C31 C34 1.481(10) .
C28 C33 1.382(11) .
C39 C41 1.381(14) .
C39 C40 1.395(13) .
C33 C32 1.394(12) .
C33 C35 1.520(10) .
C38 H38 0.9300 .
C36 H36 0.9300 .
C32 H32 0.9300 .
C26 Pb2B 2.75(3) 1_545
C26 Pb2A 2.81(2) 1_545
C41 C40 1.400(14) 5_766
C41 H41 0.9300 .
C12 H12 0.9300 .
C6 C7 1.389(14) .
C6 C5 1.411(14) .
C6 H6 0.9300 .
C8 C7 1.386(15) .
C8 C9 1.404(15) .
C8 H8 0.9300 .
C40 C41 1.400(14) 5_766
C40 H40 0.9300 .
C4 C5 1.395(16) .
C4 C9 1.424(16) .
C10 C11 1.368(13) .
C10 H10 0.9300 .
C5 H5 0.9300 .
C11 H11 0.9300 .
C9 H9 0.9300 .
C3 H3 0.9300 .
C1 C2 1.344(17) .
C1 H1 0.9300 .
C2 H2A 0.9300 .
O11 H11A 0.85(2) .
O11 H11B 0.84(2) .
Pb1A O9 2.23(3) 7_666
Pb1A O4 2.24(4) 7_666
Pb1A Pb1A 2.94(6) 7_666
Pb2A N1 2.22(2) 8_576
Pb2A O8 2.37(2) 1_565
Pb2A O7 2.54(2) 1_565
Pb2A C26 2.81(2) 1_565
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
O12 Pb2B O6 C13 81.3(9) . . . .
O8 Pb2B O6 C13 -18.6(11) 1_565 . . .
O5 Pb2B O6 C13 -2.9(5) . . . .
N4 Pb2B O6 C13 169.2(6) . . . .
N1 Pb2B O6 C13 -100.5(8) 8_576 . . .
O7 Pb2B O6 C13 171(7) 1_565 . . .
C26 Pb2B O6 C13 -18(2) 1_565 . . .
O12 Pb2B O6 Pb2A -160(13) . . . .
O8 Pb2B O6 Pb2A 100(13) 1_565 . . .
O5 Pb2B O6 Pb2A 116(12) . . . .
N4 Pb2B O6 Pb2A -72(12) . . . .
N1 Pb2B O6 Pb2A 19(12) 8_576 . . .
O7 Pb2B O6 Pb2A -70(11) 1_565 . . .
C26 Pb2B O6 Pb2A 101(13) 1_565 . . .
C13 Pb2B O6 Pb2A 119(12) . . . .
N5 Pb1B O10 C27 -167.1(11) . . . .
O4 Pb1B O10 C27 83.1(11) 7_666 . . .
O3 Pb1B O10 C27 -69.4(13) . . . .
O9 Pb1B O10 C27 -8(5) 7_666 . . .
Pb1B Pb1B O10 C27 -2.4(18) 7_666 . . .
N5 Pb1B O10 Pb1A -138(23) . . . .
O4 Pb1B O10 Pb1A 112(23) 7_666 . . .
O3 Pb1B O10 Pb1A -41(22) . . . .
O9 Pb1B O10 Pb1A 20(18) 7_666 . . .
Pb1B Pb1B O10 Pb1A 26(21) 7_666 . . .
O10 Pb1B N5 C38 -178.7(12) . . . .
O4 Pb1B N5 C38 -71.2(13) 7_666 . . .
O3 Pb1B N5 C38 92.1(15) . . . .
O9 Pb1B N5 C38 10.3(16) 7_666 . . .
Pb1B Pb1B N5 C38 34(5) 7_666 . . .
O10 Pb1B N5 C36 1(2) . . . .
O4 Pb1B N5 C36 108.9(15) 7_666 . . .
O3 Pb1B N5 C36 -87.8(13) . . . .
O9 Pb1B N5 C36 -169.6(10) 7_666 . . .
Pb1B Pb1B N5 C36 -146(4) 7_666 . . .
O10 Pb1B N5 Pb1A 143(22) . . . .
O4 Pb1B N5 Pb1A -110(21) 7_666 . . .
O3 Pb1B N5 Pb1A 53(20) . . . .
O9 Pb1B N5 Pb1A -28(20) 7_666 . . .
Pb1B Pb1B N5 Pb1A -5(16) 7_666 . . .
O12 Pb2B O5 C13 -95.9(8) . . . .
O8 Pb2B O5 C13 171.5(6) 1_565 . . .
N4 Pb2B O5 C13 -10.1(15) . . . .
N1 Pb2B O5 C13 88.5(8) 8_576 . . .
O6 Pb2B O5 C13 2.9(5) . . . .
O7 Pb2B O5 C13 -176.0(11) 1_565 . . .
C26 Pb2B O5 C13 177.6(7) 1_565 . . .
O12 Pb2B O5 Pb2A -166(13) . . . .
O8 Pb2B O5 Pb2A 102(12) 1_565 . . .
N4 Pb2B O5 Pb2A -80(12) . . . .
N1 Pb2B O5 Pb2A 19(11) 8_576 . . .
O6 Pb2B O5 Pb2A -67(12) . . . .
O7 Pb2B O5 Pb2A 114(13) 1_565 . . .
C26 Pb2B O5 Pb2A 108(12) 1_565 . . .
C13 Pb2B O5 Pb2A -70(12) . . . .
O10 Pb1B O3 C35 79.7(16) . . . .
N5 Pb1B O3 C35 -165.5(11) . . . .
O4 Pb1B O3 C35 -22(5) 7_666 . . .
O9 Pb1B O3 C35 -77.9(17) 7_666 . . .
Pb1B Pb1B O3 C35 -12(2) 7_666 . . .
O10 Pb1B O3 Pb1A 135(23) . . . .
N5 Pb1B O3 Pb1A -110(23) . . . .
O4 Pb1B O3 Pb1A 33(19) 7_666 . . .
O9 Pb1B O3 Pb1A -22(22) 7_666 . . .
Pb1B Pb1B O3 Pb1A 43(22) 7_666 . . .
O8 Pb2B O12 Pb2A -143(35) 1_565 . . .
O5 Pb2B O12 Pb2A 136(34) . . . .
N4 Pb2B O12 Pb2A -7(33) . . . .
N1 Pb2B O12 Pb2A -83(35) 8_576 . . .
O6 Pb2B O12 Pb2A 83(34) . . . .
O7 Pb2B O12 Pb2A -90(34) 1_565 . . .
C26 Pb2B O12 Pb2A -117(34) 1_565 . . .
C13 Pb2B O12 Pb2A 109(34) . . . .
O12 Pb2B N4 C12 -5.4(12) . . . .
O8 Pb2B N4 C12 86.1(14) 1_565 . . .
O5 Pb2B N4 C12 -91.6(15) . . . .
N1 Pb2B N4 C12 167.9(7) 8_576 . . .
O6 Pb2B N4 C12 -102.1(8) . . . .
O7 Pb2B N4 C12 78.1(9) 1_565 . . .
C26 Pb2B N4 C12 80.5(10) 1_565 . . .
C13 Pb2B N4 C12 -96.7(9) . . . .
O12 Pb2B N4 C11 176.4(8) . . . .
O8 Pb2B N4 C11 -92.1(14) 1_565 . . .
O5 Pb2B N4 C11 90.2(17) . . . .
N1 Pb2B N4 C11 -10.3(14) 8_576 . . .
O6 Pb2B N4 C11 79.7(11) . . . .
O7 Pb2B N4 C11 -100.1(10) 1_565 . . .
C26 Pb2B N4 C11 -97.6(10) 1_565 . . .
C13 Pb2B N4 C11 85.1(12) . . . .
O12 Pb2B N4 Pb2A 178(12) . . . .
O8 Pb2B N4 Pb2A -91(12) 1_565 . . .
O5 Pb2B N4 Pb2A 91(11) . . . .
N1 Pb2B N4 Pb2A -9(11) 8_576 . . .
O6 Pb2B N4 Pb2A 81(11) . . . .
O7 Pb2B N4 Pb2A -99(12) 1_565 . . .
C26 Pb2B N4 Pb2A -97(12) 1_565 . . .
C13 Pb2B N4 Pb2A 86(11) . . . .
Pb2A O6 C13 O5 -0.1(9) . . . .
Pb2B O6 C13 O5 5.0(9) . . . .
Pb2A O6 C13 C14 176.6(7) . . . .
Pb2B O6 C13 C14 -178.3(7) . . . .
Pb2A O6 C13 Pb2B -5.1(8) . . . .
Pb2B O6 C13 Pb2A 5.1(8) . . . .
Pb2B O5 C13 O6 -5.4(9) . . . .
Pb2A O5 C13 O6 0.1(9) . . . .
Pb2B O5 C13 C14 177.9(7) . . . .
Pb2A O5 C13 C14 -176.6(7) . . . .
Pb2A O5 C13 Pb2B 5.5(9) . . . .
Pb2B O5 C13 Pb2A -5.5(9) . . . .
O12 Pb2B C13 O6 -100.8(9) . . . .
O8 Pb2B C13 O6 166.0(9) 1_565 . . .
O5 Pb2B C13 O6 174.8(9) . . . .
N4 Pb2B C13 O6 -12.0(7) . . . .
N1 Pb2B C13 O6 80.6(7) 8_576 . . .
O7 Pb2B C13 O6 -176(3) 1_565 . . .
C26 Pb2B C13 O6 171.6(11) 1_565 . . .
O12 Pb2B C13 O5 84.4(8) . . . .
O8 Pb2B C13 O5 -8.8(7) 1_565 . . .
N4 Pb2B C13 O5 173.2(10) . . . .
N1 Pb2B C13 O5 -94.2(9) 8_576 . . .
O6 Pb2B C13 O5 -174.8(9) . . . .
O7 Pb2B C13 O5 9(2) 1_565 . . .
C26 Pb2B C13 O5 -3.2(9) 1_565 . . .
O12 Pb2B C13 C14 60(10) . . . .
O8 Pb2B C13 C14 -33(10) 1_565 . . .
O5 Pb2B C13 C14 -24(9) . . . .
N4 Pb2B C13 C14 149(9) . . . .
N1 Pb2B C13 C14 -118(9) 8_576 . . .
O6 Pb2B C13 C14 161(9) . . . .
O7 Pb2B C13 C14 -15(11) 1_565 . . .
C26 Pb2B C13 C14 -27(10) 1_565 . . .
O12 Pb2B C13 Pb2A -161(13) . . . .
O8 Pb2B C13 Pb2A 106(12) 1_565 . . .
O5 Pb2B C13 Pb2A 115(12) . . . .
N4 Pb2B C13 Pb2A -72(12) . . . .
N1 Pb2B C13 Pb2A 21(11) 8_576 . . .
O6 Pb2B C13 Pb2A -60(12) . . . .
O7 Pb2B C13 Pb2A 123(14) 1_565 . . .
C26 Pb2B C13 Pb2A 112(13) 1_565 . . .
C18 C19 C14 C15 2.1(11) . . . .
C18 C19 C14 C13 -178.5(6) . . . .
O6 C13 C14 C15 173.7(7) . . . .
O5 C13 C14 C15 -9.6(11) . . . .
Pb2B C13 C14 C15 14(10) . . . .
Pb2A C13 C14 C15 -67(11) . . . .
O6 C13 C14 C19 -5.7(10) . . . .
O5 C13 C14 C19 171.0(7) . . . .
Pb2B C13 C14 C19 -166(9) . . . .
Pb2A C13 C14 C19 114(11) . . . .
C20 C21 C22 C23 -2.3(12) . . . .
C27 C21 C22 C23 176.0(7) . . . .
C16 C17 C18 C19 -1.0(11) . . . .
C16 C17 C18 C20 175.8(7) . . . .
C14 C19 C18 C17 -1.3(10) . . . .
C14 C19 C18 C20 -178.1(7) . . . .
C18 C17 C16 C15 2.4(11) . . . .
C18 C17 C16 C28 -178.4(7) . . . .
C22 C21 C20 C25 3.4(11) . . . .
C27 C21 C20 C25 -174.7(7) . . . .
C22 C21 C20 C18 -172.3(7) . . . .
C27 C21 C20 C18 9.6(12) . . . .
C17 C18 C20 C25 -138.1(8) . . . .
C19 C18 C20 C25 38.6(10) . . . .
C17 C18 C20 C21 37.5(11) . . . .
C19 C18 C20 C21 -145.8(7) . . . .
C19 C14 C15 C16 -0.7(11) . . . .
C13 C14 C15 C16 179.9(6) . . . .
C17 C16 C15 C14 -1.5(11) . . . .
C28 C16 C15 C14 179.3(7) . . . .
C25 C24 C23 C22 4.0(12) . . . .
C25 C24 C23 C26 -175.9(8) . . . .
C21 C22 C23 C24 -1.5(12) . . . .
C21 C22 C23 C26 178.3(8) . . . .
Pb1A O9 C27 O10 3.5(19) 7_666 . . .
Pb1B O9 C27 O10 7(2) 7_666 . . .
Pb1A O9 C27 C21 -179.1(14) 7_666 . . .
Pb1B O9 C27 C21 -175.5(14) 7_666 . . .
Pb1B O10 C27 O9 -0.8(15) . . . .
Pb1A O10 C27 O9 -3.3(14) . . . .
Pb1B O10 C27 C21 -178.2(11) . . . .
Pb1A O10 C27 C21 179.2(11) . . . .
C22 C21 C27 O9 -128.1(8) . . . .
C20 C21 C27 O9 50.1(11) . . . .
C22 C21 C27 O10 49.6(10) . . . .
C20 C21 C27 O10 -132.2(8) . . . .
C31 C30 C29 C28 -2.5(13) . . . .
C38 N6 C37 C36 -1.2(13) . . . .
C39 N6 C37 C36 -179.7(10) . . . .
C21 C20 C25 C24 -0.9(12) . . . .
C18 C20 C25 C24 175.0(7) . . . .
C23 C24 C25 C20 -2.7(13) . . . .
C29 C30 C31 C32 3.1(12) . . . .
C29 C30 C31 C34 -178.0(8) . . . .
C30 C29 C28 C33 0.2(12) . . . .
C30 C29 C28 C16 -178.2(8) . . . .
C15 C16 C28 C33 125.0(8) . . . .
C17 C16 C28 C33 -54.1(11) . . . .
C15 C16 C28 C29 -56.6(11) . . . .
C17 C16 C28 C29 124.2(8) . . . .
C38 N6 C39 C41 45.7(15) . . . .
C37 N6 C39 C41 -136.0(11) . . . .
C38 N6 C39 C40 -129.8(11) . . . .
C37 N6 C39 C40 48.5(15) . . . .
C29 C28 C33 C32 1.4(12) . . . .
C16 C28 C33 C32 179.8(8) . . . .
C29 C28 C33 C35 -176.0(8) . . . .
C16 C28 C33 C35 2.4(13) . . . .
C36 N5 C38 N6 -1.0(13) . . . .
Pb1B N5 C38 N6 179.1(12) . . . .
Pb1A N5 C38 N6 -177.1(11) . . . .
C37 N6 C38 N5 1.4(13) . . . .
C39 N6 C38 N5 179.9(9) . . . .
N6 C37 C36 N5 0.6(13) . . . .
C38 N5 C36 C37 0.2(13) . . . .
Pb1B N5 C36 C37 -179.9(14) . . . .
Pb1A N5 C36 C37 175.2(14) . . . .
C28 C33 C32 C31 -0.7(13) . . . .
C35 C33 C32 C31 176.8(8) . . . .
C30 C31 C32 C33 -1.5(12) . . . .
C34 C31 C32 C33 179.6(8) . . . .
C32 C31 C34 O1 170.7(10) . . . .
C30 C31 C34 O1 -8.2(14) . . . .
C32 C31 C34 O2 -9.0(12) . . . .
C30 C31 C34 O2 172.1(8) . . . .
Pb2B O8 C26 O7 3.7(11) 1_545 . . .
Pb2A O8 C26 O7 -2.3(11) 1_545 . . .
Pb2B O8 C26 C23 -176.3(8) 1_545 . . .
Pb2A O8 C26 C23 177.7(8) 1_545 . . .
Pb2A O8 C26 Pb2B -6.0(8) 1_545 . . 1_545
Pb2B O8 C26 Pb2A 6.0(8) 1_545 . . 1_545
Pb2B O7 C26 O8 -3.4(10) 1_545 . . .
Pb2A O7 C26 O8 2.1(10) 1_545 . . .
Pb2B O7 C26 C23 176.6(8) 1_545 . . .
Pb2A O7 C26 C23 -177.8(8) 1_545 . . .
Pb2A O7 C26 Pb2B 5.5(7) 1_545 . . 1_545
Pb2B O7 C26 Pb2A -5.5(7) 1_545 . . 1_545
C24 C23 C26 O8 161.0(9) . . . .
C22 C23 C26 O8 -18.9(13) . . . .
C24 C23 C26 O7 -19.0(13) . . . .
C22 C23 C26 O7 161.1(8) . . . .
C24 C23 C26 Pb2B 122(10) . . . 1_545
C22 C23 C26 Pb2B -58(10) . . . 1_545
C24 C23 C26 Pb2A -166(11) . . . 1_545
C22 C23 C26 Pb2A 14(12) . . . 1_545
C40 C39 C41 C40 -3.4(19) . . . 5_766
N6 C39 C41 C40 -178.8(10) . . . 5_766
C11 N4 C12 N3 -0.1(10) . . . .
Pb2A N4 C12 N3 -178.3(9) . . . .
Pb2B N4 C12 N3 -178.7(9) . . . .
C10 N3 C12 N4 0.8(10) . . . .
C7 N3 C12 N4 -172.4(8) . . . .
C9 C8 C7 C6 2.6(16) . . . .
C9 C8 C7 N3 178.1(10) . . . .
C5 C6 C7 C8 -0.2(14) . . . .
C5 C6 C7 N3 -175.7(9) . . . .
C10 N3 C7 C8 -146.3(10) . . . .
C12 N3 C7 C8 25.4(13) . . . .
C10 N3 C7 C6 29.3(13) . . . .
C12 N3 C7 C6 -159.0(9) . . . .
C41 C39 C40 C41 3.3(19) . . . 5_766
N6 C39 C40 C41 178.7(10) . . . 5_766
C2 N2 C4 C5 -41.2(17) . . . .
C3 N2 C4 C5 144.6(11) . . . .
C2 N2 C4 C9 136.3(14) . . . .
C3 N2 C4 C9 -37.9(15) . . . .
C12 N3 C10 C11 -1.1(10) . . . .
C7 N3 C10 C11 171.9(8) . . . .
C9 C4 C5 C6 1.2(17) . . . .
N2 C4 C5 C6 178.6(9) . . . .
C7 C6 C5 C4 -1.6(15) . . . .
N3 C10 C11 N4 1.1(11) . . . .
C12 N4 C11 C10 -0.7(10) . . . .
Pb2A N4 C11 C10 177.5(10) . . . .
Pb2B N4 C11 C10 177.7(10) . . . .
C7 C8 C9 C4 -3.0(17) . . . .
C5 C4 C9 C8 1.1(17) . . . .
N2 C4 C9 C8 -176.4(10) . . . .
Pb1B O4 C35 O3 -4.4(15) 7_666 . . .
Pb1A O4 C35 O3 -8.2(15) 7_666 . . .
Pb1B O4 C35 C33 177.4(11) 7_666 . . .
Pb1A O4 C35 C33 173.6(11) 7_666 . . .
Pb1A O3 C35 O4 10(2) . . . .
Pb1B O3 C35 O4 15(2) . . . .
Pb1A O3 C35 C33 -172.1(14) . . . .
Pb1B O3 C35 C33 -166.5(14) . . . .
C28 C33 C35 O4 -65.0(11) . . . .
C32 C33 C35 O4 117.4(9) . . . .
C28 C33 C35 O3 116.6(9) . . . .
C32 C33 C35 O3 -61.0(11) . . . .
C1 N1 C3 N2 -0.9(13) . . . .
Pb2A N1 C3 N2 -172.5(10) 8_475 . . .
Pb2B N1 C3 N2 -170.4(9) 8_475 . . .
C2 N2 C3 N1 1.2(14) . . . .
C4 N2 C3 N1 176.4(10) . . . .
C3 N1 C1 C2 0.3(16) . . . .
Pb2A N1 C1 C2 170.7(13) 8_475 . . .
Pb2B N1 C1 C2 167.9(12) 8_475 . . .
N1 C1 C2 N2 0.4(18) . . . .
C3 N2 C2 C1 -1.0(16) . . . .
C4 N2 C2 C1 -176.0(12) . . . .
C35 O3 Pb1A O9 -75.3(18) . . . 7_666
Pb1B O3 Pb1A O9 156(23) . . . 7_666
C35 O3 Pb1A N5 -166.5(10) . . . .
Pb1B O3 Pb1A N5 65(22) . . . .
C35 O3 Pb1A O4 -3(6) . . . 7_666
Pb1B O3 Pb1A O4 -132(26) . . . 7_666
C35 O3 Pb1A O10 86.9(14) . . . .
Pb1B O3 Pb1A O10 -42(22) . . . .
C35 O3 Pb1A Pb1A -4(2) . . . 7_666
Pb1B O3 Pb1A Pb1A -133(23) . . . 7_666
C38 N5 Pb1A O3 95.4(14) . . . .
C36 N5 Pb1A O3 -79.3(15) . . . .
Pb1B N5 Pb1A O3 -122(21) . . . .
C38 N5 Pb1A O9 6.0(15) . . . 7_666
C36 N5 Pb1A O9 -168.7(10) . . . 7_666
Pb1B N5 Pb1A O9 149(22) . . . 7_666
C38 N5 Pb1A O4 -79.0(12) . . . 7_666
C36 N5 Pb1A O4 106.3(16) . . . 7_666
Pb1B N5 Pb1A O4 64(20) . . . 7_666
C38 N5 Pb1A O10 -176.0(11) . . . .
C36 N5 Pb1A O10 9(2) . . . .
Pb1B N5 Pb1A O10 -33(20) . . . .
C38 N5 Pb1A Pb1A 29(8) . . . 7_666
C36 N5 Pb1A Pb1A -146(7) . . . 7_666
Pb1B N5 Pb1A Pb1A 172(28) . . . 7_666
C27 O10 Pb1A O3 -71.4(12) . . . .
Pb1B O10 Pb1A O3 136(23) . . . .
C27 O10 Pb1A O9 3(6) . . . 7_666
Pb1B O10 Pb1A O9 -149(27) . . . 7_666
C27 O10 Pb1A N5 -170.5(10) . . . .
Pb1B O10 Pb1A N5 37(21) . . . .
C27 O10 Pb1A O4 89.2(10) . . . 7_666
Pb1B O10 Pb1A O4 -63(22) . . . 7_666
C27 O10 Pb1A Pb1A 1.9(18) . . . 7_666
Pb1B O10 Pb1A Pb1A -151(23) . . . 7_666
C12 N4 Pb2A N1 166.6(8) . . . 8_576
C11 N4 Pb2A N1 -11.3(14) . . . 8_576
Pb2B N4 Pb2A N1 170(12) . . . 8_576
C12 N4 Pb2A O8 71.0(16) . . . 1_565
C11 N4 Pb2A O8 -106.8(12) . . . 1_565
Pb2B N4 Pb2A O8 74(11) . . . 1_565
C12 N4 Pb2A O5 -74.4(16) . . . .
C11 N4 Pb2A O5 107.7(13) . . . .
Pb2B N4 Pb2A O5 -71(11) . . . .
C12 N4 Pb2A O6 -96.6(9) . . . .
C11 N4 Pb2A O6 85.5(9) . . . .
Pb2B N4 Pb2A O6 -93(11) . . . .
C12 N4 Pb2A O12 -5.4(12) . . . .
C11 N4 Pb2A O12 176.7(7) . . . .
Pb2B N4 Pb2A O12 -2(11) . . . .
C12 N4 Pb2A O7 73.1(10) . . . 1_565
C11 N4 Pb2A O7 -104.8(8) . . . 1_565
Pb2B N4 Pb2A O7 76(11) . . . 1_565
C12 N4 Pb2A C13 -88.2(10) . . . .
C11 N4 Pb2A C13 93.9(10) . . . .
Pb2B N4 Pb2A C13 -85(11) . . . .
C12 N4 Pb2A C26 72.8(11) . . . 1_565
C11 N4 Pb2A C26 -105.1(9) . . . 1_565
Pb2B N4 Pb2A C26 76(11) . . . 1_565
C13 O5 Pb2A N1 90.3(9) . . . 8_576
Pb2B O5 Pb2A N1 -159(13) . . . 8_576
C13 O5 Pb2A N4 -28.1(14) . . . .
Pb2B O5 Pb2A N4 83(12) . . . .
C13 O5 Pb2A O8 175.8(7) . . . 1_565
Pb2B O5 Pb2A O8 -73(12) . . . 1_565
C13 O5 Pb2A O6 0.0(5) . . . .
Pb2B O5 Pb2A O6 111(12) . . . .
C13 O5 Pb2A O12 -97.7(7) . . . .
Pb2B O5 Pb2A O12 13(12) . . . .
C13 O5 Pb2A O7 -165.9(11) . . . 1_565
Pb2B O5 Pb2A O7 -55(11) . . . 1_565
Pb2B O5 Pb2A C13 111(12) . . . .
C13 O5 Pb2A C26 -176.8(7) . . . 1_565
Pb2B O5 Pb2A C26 -66(12) . . . 1_565
C13 O6 Pb2A N1 -98.3(9) . . . 8_576
Pb2B O6 Pb2A N1 -159(13) . . . 8_576
C13 O6 Pb2A N4 163.2(6) . . . .
Pb2B O6 Pb2A N4 102(12) . . . .
C13 O6 Pb2A O8 -5.4(11) . . . 1_565
Pb2B O6 Pb2A O8 -66(12) . . . 1_565
C13 O6 Pb2A O5 0.0(5) . . . .
Pb2B O6 Pb2A O5 -61(12) . . . .
C13 O6 Pb2A O12 79.1(8) . . . .
Pb2B O6 Pb2A O12 18(12) . . . .
C13 O6 Pb2A O7 98(5) . . . 1_565
Pb2B O6 Pb2A O7 38(8) . . . 1_565
Pb2B O6 Pb2A C13 -61(12) . . . .
C13 O6 Pb2A C26 8(2) . . . 1_565
Pb2B O6 Pb2A C26 -53(11) . . . 1_565
Pb2B O12 Pb2A N1 66(31) . . . 8_576
Pb2B O12 Pb2A N4 173(35) . . . .
Pb2B O12 Pb2A O8 36(34) . . . 1_565
Pb2B O12 Pb2A O5 -43(34) . . . .
Pb2B O12 Pb2A O6 -95(34) . . . .
Pb2B O12 Pb2A O7 88(34) . . . 1_565
Pb2B O12 Pb2A C13 -69(34) . . . .
Pb2B O12 Pb2A C26 61(34) . . . 1_565
O6 C13 Pb2A N1 85.5(8) . . . 8_576
O5 C13 Pb2A N1 -94.5(10) . . . 8_576
C14 C13 Pb2A N1 -35(11) . . . 8_576
Pb2B C13 Pb2A N1 -157(13) . . . 8_576
O6 C13 Pb2A N4 -19.0(7) . . . .
O5 C13 Pb2A N4 161.0(10) . . . .
C14 C13 Pb2A N4 -140(11) . . . .
Pb2B C13 Pb2A N4 99(12) . . . .
O6 C13 Pb2A O8 175.8(9) . . . 1_565
O5 C13 Pb2A O8 -4.2(7) . . . 1_565
C14 C13 Pb2A O8 55(11) . . . 1_565
Pb2B C13 Pb2A O8 -67(12) . . . 1_565
O6 C13 Pb2A O5 -179.9(9) . . . .
C14 C13 Pb2A O5 59(11) . . . .
Pb2B C13 Pb2A O5 -62(12) . . . .
O5 C13 Pb2A O6 179.9(9) . . . .
C14 C13 Pb2A O6 -121(11) . . . .
Pb2B C13 Pb2A O6 118(12) . . . .
O6 C13 Pb2A O12 -100.4(8) . . . .
O5 C13 Pb2A O12 79.6(7) . . . .
C14 C13 Pb2A O12 139(11) . . . .
Pb2B C13 Pb2A O12 17(11) . . . .
O6 C13 Pb2A O7 -155(2) . . . 1_565
O5 C13 Pb2A O7 25(2) . . . 1_565
C14 C13 Pb2A O7 84(11) . . . 1_565
Pb2B C13 Pb2A O7 -37(10) . . . 1_565
O6 C13 Pb2A C26 -175.9(11) . . . 1_565
O5 C13 Pb2A C26 4.1(9) . . . 1_565
C14 C13 Pb2A C26 63(11) . . . 1_565
Pb2B C13 Pb2A C26 -58(11) . . . 1_565
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.250 -0.250 0.500 354 75 ' '
2 0.250 0.250 1.000 354 75 ' '
3 0.750 -0.250 0.000 354 75 ' '
4 0.750 0.250 0.500 354 75 ' '
5 0.163 0.206 0.301 15 2 ' '
6 0.837 0.206 0.199 15 2 ' '
7 0.337 0.294 0.699 15 2 ' '
8 0.663 0.294 0.801 15 2 ' '
9 0.337 0.706 0.199 15 2 ' '
10 0.663 0.706 0.301 15 2 ' '
11 0.163 0.794 0.801 15 2 ' '
12 0.837 0.794 0.699 15 2 ' '

_cod_database_fobs_code 1560799
