#------------------------------------------------------------------------------
#$Date: 2021-04-26 09:50:29 +0300 (Mon, 26 Apr 2021) $
#$Revision: 264521 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/20/1562061.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_1562061
loop_
_publ_author_name
'Yang, Gao-Shan'
'Liu, Chong-Bo'
'Liu, Hong'
'Robbins, Julianne'
'Zhang, Z. John'
'Yin, Hong-Shan'
'Wen, Hui-Liang'
'Wang, Yu-Hua'
_publ_section_title
;
 Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on
 flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and
 properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              391
_journal_page_last               401
_journal_paper_doi               10.1016/j.jssc.2014.12.013
_journal_volume                  225
_journal_year                    2015
_chemical_formula_sum            'C43 H28 F12 N O12 Pb2'
_chemical_formula_weight         1393.04
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.3870(10)
_cell_angle_beta                 94.2880(10)
_cell_angle_gamma                100.7060(10)
_cell_formula_units_Z            2
_cell_length_a                   7.7234(6)
_cell_length_b                   15.8745(13)
_cell_length_c                   17.5868(15)
_cell_measurement_reflns_used    5490
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.33
_cell_volume                     2106.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0672
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16272
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    8.101
_exptl_absorpt_correction_T_max  0.4431
_exptl_absorpt_correction_T_min  0.2810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1322
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.635
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         7787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0287P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0837
_reflns_number_gt                5798
_reflns_number_total             7787
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-225-391.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' 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 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562061
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1983(8) 0.6911(5) -0.4307(4) 0.0325(16) Uani 1 1 d . . .
C2 C 0.1138(8) 0.7149(4) -0.3604(4) 0.0321(16) Uani 1 1 d . . .
H2A H 0.1822 0.7678 -0.3350 0.039 Uiso 1 1 calc R . .
H2B H -0.0046 0.7243 -0.3747 0.039 Uiso 1 1 calc R . .
C3 C 0.0572(8) 0.6629(4) -0.2370(4) 0.0291(15) Uani 1 1 d . . .
C4 C 0.1071(9) 0.6118(4) -0.1829(4) 0.0396(18) Uani 1 1 d . . .
H4 H 0.1761 0.5717 -0.1955 0.047 Uiso 1 1 calc R . .
C5 C 0.0551(9) 0.6195(4) -0.1091(4) 0.0384(17) Uani 1 1 d . . .
H5 H 0.0896 0.5841 -0.0728 0.046 Uiso 1 1 calc R . .
C6 C -0.0473(8) 0.6791(4) -0.0886(4) 0.0329(16) Uani 1 1 d . . .
C7 C -0.0924(8) 0.7315(5) -0.1441(4) 0.0345(17) Uani 1 1 d . . .
H7 H -0.1594 0.7724 -0.1316 0.041 Uiso 1 1 calc R . .
C8 C -0.0404(8) 0.7246(4) -0.2178(4) 0.0351(17) Uani 1 1 d . . .
H8 H -0.0708 0.7611 -0.2539 0.042 Uiso 1 1 calc R . .
C9 C -0.1167(8) 0.6781(4) -0.0088(4) 0.0322(16) Uani 1 1 d . . .
C10 C -0.2817(10) 0.6040(6) -0.0149(4) 0.047(2) Uani 1 1 d . . .
C11 C -0.1744(11) 0.7631(6) 0.0159(5) 0.052(2) Uani 1 1 d . . .
C12 C 0.0245(8) 0.6650(4) 0.0529(4) 0.0314(16) Uani 1 1 d . . .
C13 C 0.1971(8) 0.7118(5) 0.0536(4) 0.0379(18) Uani 1 1 d . . .
H13 H 0.2249 0.7484 0.0151 0.045 Uiso 1 1 calc R . .
C14 C 0.3264(9) 0.7051(5) 0.1095(5) 0.0421(19) Uani 1 1 d . . .
H14 H 0.4400 0.7369 0.1081 0.051 Uiso 1 1 calc R . .
C15 C 0.2905(9) 0.6526(5) 0.1666(5) 0.0426(19) Uani 1 1 d . . .
C16 C 0.1198(9) 0.6065(5) 0.1694(4) 0.0435(19) Uani 1 1 d . . .
H16 H 0.0935 0.5710 0.2089 0.052 Uiso 1 1 calc R . .
C17 C -0.0102(9) 0.6136(5) 0.1135(4) 0.0377(17) Uani 1 1 d . . .
H17 H -0.1244 0.5831 0.1162 0.045 Uiso 1 1 calc R . .
C18 C 0.4684(12) 0.5698(5) 0.2289(5) 0.067(3) Uani 1 1 d . . .
H18A H 0.5046 0.5510 0.1801 0.081 Uiso 1 1 calc R . .
H18B H 0.3654 0.5286 0.2398 0.081 Uiso 1 1 calc R . .
C19 C 0.6153(9) 0.5700(5) 0.2899(4) 0.0376(17) Uani 1 1 d . . .
C20 C 0.7201(8) 0.5678(4) 0.5675(4) 0.0331(17) Uani 1 1 d . . .
C21 C 0.6373(9) 0.6157(4) 0.6285(4) 0.0342(17) Uani 1 1 d . . .
H21A H 0.5188 0.5847 0.6341 0.041 Uiso 1 1 calc R . .
H21B H 0.7068 0.6183 0.6772 0.041 Uiso 1 1 calc R . .
C22 C 0.5834(8) 0.7561(4) 0.6643(4) 0.0284(15) Uani 1 1 d . . .
C23 C 0.5261(9) 0.7335(4) 0.7329(4) 0.0360(17) Uani 1 1 d . . .
H23 H 0.5120 0.6766 0.7452 0.043 Uiso 1 1 calc R . .
C24 C 0.4885(8) 0.7968(4) 0.7848(4) 0.0326(16) Uani 1 1 d . . .
H24 H 0.4535 0.7814 0.8324 0.039 Uiso 1 1 calc R . .
C25 C 0.5020(8) 0.8814(4) 0.7673(4) 0.0281(15) Uani 1 1 d . . .
C26 C 0.5558(8) 0.9017(4) 0.6957(4) 0.0339(16) Uani 1 1 d . . .
H26 H 0.5637 0.9579 0.6819 0.041 Uiso 1 1 calc R . .
C27 C 0.5979(9) 0.8405(4) 0.6442(4) 0.0380(17) Uani 1 1 d . . .
H27 H 0.6352 0.8557 0.5969 0.046 Uiso 1 1 calc R . .
C28 C 0.4720(8) 0.9558(4) 0.8209(4) 0.0287(15) Uani 1 1 d . . .
C29 C 0.6579(9) 1.0084(5) 0.8502(5) 0.0400(19) Uani 1 1 d . . .
C30 C 0.3809(10) 0.9255(5) 0.8917(4) 0.0400(18) Uani 1 1 d . . .
C31 C 0.3533(8) 1.0103(4) 0.7805(4) 0.0280(15) Uani 1 1 d . . .
C32 C 0.3890(9) 1.0991(4) 0.7824(4) 0.0376(18) Uani 1 1 d . . .
H32 H 0.4973 1.1291 0.8050 0.045 Uiso 1 1 calc R . .
C33 C 0.2675(9) 1.1442(4) 0.7515(4) 0.0364(17) Uani 1 1 d . . .
H33 H 0.2940 1.2039 0.7540 0.044 Uiso 1 1 calc R . .
C34 C 0.1068(8) 1.1008(4) 0.7169(4) 0.0298(15) Uani 1 1 d . . .
C35 C 0.0721(8) 1.0121(4) 0.7126(4) 0.0350(17) Uani 1 1 d . . .
H35 H -0.0350 0.9821 0.6888 0.042 Uiso 1 1 calc R . .
C36 C 0.1928(8) 0.9680(4) 0.7427(4) 0.0365(17) Uani 1 1 d . . .
H36 H 0.1676 0.9082 0.7379 0.044 Uiso 1 1 calc R . .
C37 C 0.0035(9) 1.2293(4) 0.6971(4) 0.0371(17) Uani 1 1 d . . .
H37A H 0.1159 1.2538 0.6786 0.044 Uiso 1 1 calc R . .
H37B H 0.0083 1.2468 0.7511 0.044 Uiso 1 1 calc R . .
C38 C -0.1433(9) 1.2626(4) 0.6543(4) 0.0321(16) Uani 1 1 d . . .
C39 C 0.6277(9) 0.8975(4) -0.5549(4) 0.0393(19) Uani 1 1 d . . .
H39 H 0.5152 0.9048 -0.5725 0.047 Uiso 1 1 calc R . .
C40 C 0.7573(9) 0.9696(4) -0.5356(4) 0.0417(19) Uani 1 1 d . . .
H40 H 0.7305 1.0240 -0.5398 0.050 Uiso 1 1 calc R . .
C41 C 0.9287(8) 0.9614(4) -0.5098(4) 0.0314(16) Uani 1 1 d . . .
C42 C 0.9565(9) 0.8781(4) -0.5054(4) 0.0389(18) Uani 1 1 d . . .
H42 H 1.0682 0.8685 -0.4892 0.047 Uiso 1 1 calc R . .
C43 C 0.8202(8) 0.8095(4) -0.5245(4) 0.0339(17) Uani 1 1 d . . .
H43 H 0.8425 0.7544 -0.5200 0.041 Uiso 1 1 calc R . .
F1 F -0.2361(6) 0.5280(3) -0.0226(3) 0.0561(12) Uani 1 1 d . . .
F2 F -0.3918(6) 0.6096(3) -0.0771(3) 0.0684(15) Uani 1 1 d . . .
F3 F -0.3783(5) 0.6045(3) 0.0446(3) 0.0621(13) Uani 1 1 d . . .
F4 F -0.3235(6) 0.7729(3) -0.0231(3) 0.0662(14) Uani 1 1 d . . .
F5 F -0.0512(7) 0.8308(3) 0.0059(3) 0.0617(13) Uani 1 1 d . . .
F6 F -0.2049(6) 0.7668(3) 0.0896(3) 0.0648(14) Uani 1 1 d . . .
F7 F 0.7366(5) 1.0502(3) 0.7946(3) 0.0514(12) Uani 1 1 d . . .
F8 F 0.6552(5) 1.0676(3) 0.9076(3) 0.0523(12) Uani 1 1 d . . .
F9 F 0.7662(5) 0.9572(3) 0.8760(3) 0.0618(14) Uani 1 1 d . . .
F10 F 0.4790(6) 0.8891(3) 0.9413(3) 0.0559(12) Uani 1 1 d . . .
F11 F 0.3311(6) 0.9901(3) 0.9322(2) 0.0520(12) Uani 1 1 d . . .
F12 F 0.2322(5) 0.8675(3) 0.8731(3) 0.0505(11) Uani 1 1 d . . .
N1 N 0.6572(7) 0.8180(3) -0.5494(3) 0.0340(14) Uani 1 1 d . . .
O1 O 0.2517(6) 0.7508(3) -0.4716(3) 0.0397(12) Uani 1 1 d . . .
O2 O 0.2154(7) 0.6144(3) -0.4455(3) 0.0563(16) Uani 1 1 d . . .
O3 O 0.1054(6) 0.6476(3) -0.3097(3) 0.0368(11) Uani 1 1 d . . .
O4 O 0.4226(7) 0.6480(3) 0.2232(3) 0.0603(17) Uani 1 1 d . . .
O5 O 0.6922(8) 0.5073(4) 0.2858(4) 0.0677(18) Uani 1 1 d . . .
O6 O 0.6513(6) 0.6273(3) 0.3419(3) 0.0436(13) Uani 1 1 d . . .
O7 O 0.7267(8) 0.5949(3) 0.5031(3) 0.0564(16) Uani 1 1 d . . .
O8 O 0.7714(7) 0.5021(3) 0.5891(3) 0.0478(14) Uani 1 1 d . . .
O9 O 0.6297(6) 0.7006(3) 0.6085(3) 0.0380(12) Uani 1 1 d . . .
O10 O -0.0238(6) 1.1388(3) 0.6870(3) 0.0365(12) Uani 1 1 d . . .
O11 O -0.1097(6) 1.3406(3) 0.6390(3) 0.0417(13) Uani 1 1 d . . .
O12 O -0.2913(6) 1.2165(3) 0.6382(3) 0.0426(13) Uani 1 1 d . . .
Pb1 Pb 0.41713(3) 0.678225(16) -0.564306(15) 0.02973(9) Uani 1 1 d . . .
Pb2 Pb 0.89105(3) 0.534304(16) 0.402104(16) 0.03223(9) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
F F 0.0171 0.0103 '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'
N N 0.0061 0.0033 '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
O1 C1 O2 123.1(6) . .
O1 C1 C2 116.6(6) . .
O2 C1 C2 120.3(6) . .
O3 C2 C1 109.7(5) . .
O3 C2 H2A 109.7 . .
C1 C2 H2A 109.7 . .
O3 C2 H2B 109.7 . .
C1 C2 H2B 109.7 . .
H2A C2 H2B 108.2 . .
C4 C3 O3 116.5(6) . .
C4 C3 C8 120.0(6) . .
O3 C3 C8 123.5(6) . .
C3 C4 C5 120.2(7) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 121.2(7) . .
C6 C5 H5 119.4 . .
C4 C5 H5 119.4 . .
C7 C6 C5 117.3(7) . .
C7 C6 C9 123.8(6) . .
C5 C6 C9 118.7(6) . .
C6 C7 C8 122.0(7) . .
C6 C7 H7 119.0 . .
C8 C7 H7 119.0 . .
C3 C8 C7 119.3(7) . .
C3 C8 H8 120.4 . .
C7 C8 H8 120.4 . .
C12 C9 C6 111.6(5) . .
C12 C9 C11 106.4(6) . .
C6 C9 C11 112.6(6) . .
C12 C9 C10 111.8(6) . .
C6 C9 C10 105.9(6) . .
C11 C9 C10 108.6(6) . .
F1 C10 F3 108.0(7) . .
F1 C10 F2 106.7(6) . .
F3 C10 F2 106.0(6) . .
F1 C10 C9 111.4(6) . .
F3 C10 C9 113.7(7) . .
F2 C10 C9 110.7(6) . .
F5 C11 F4 107.4(7) . .
F5 C11 F6 107.4(7) . .
F4 C11 F6 106.3(6) . .
F5 C11 C9 111.5(6) . .
F4 C11 C9 112.5(7) . .
F6 C11 C9 111.5(7) . .
C17 C12 C13 116.3(6) . .
C17 C12 C9 123.9(6) . .
C13 C12 C9 119.6(6) . .
C14 C13 C12 121.8(7) . .
C14 C13 H13 119.1 . .
C12 C13 H13 119.1 . .
C15 C14 C13 120.7(7) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 O4 119.7(7) . .
C14 C15 C16 119.5(7) . .
O4 C15 C16 120.7(8) . .
C17 C16 C15 119.7(7) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C16 C17 C12 121.9(7) . .
C16 C17 H17 119.1 . .
C12 C17 H17 119.1 . .
O4 C18 C19 113.3(7) . .
O4 C18 H18A 108.9 . .
C19 C18 H18A 108.9 . .
O4 C18 H18B 108.9 . .
C19 C18 H18B 108.9 . .
H18A C18 H18B 107.7 . .
O6 C19 O5 123.0(7) . .
O6 C19 C18 121.0(7) . .
O5 C19 C18 116.0(7) . .
O7 C20 O8 126.9(7) . .
O7 C20 C21 118.9(6) . .
O8 C20 C21 114.2(7) . .
O9 C21 C20 110.8(6) . .
O9 C21 H21A 109.5 . .
C20 C21 H21A 109.5 . .
O9 C21 H21B 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 108.1 . .
C23 C22 O9 125.4(6) . .
C23 C22 C27 120.6(6) . .
O9 C22 C27 114.0(6) . .
C22 C23 C24 119.4(6) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
C25 C24 C23 121.8(7) . .
C25 C24 H24 119.1 . .
C23 C24 H24 119.1 . .
C24 C25 C26 117.2(6) . .
C24 C25 C28 125.9(6) . .
C26 C25 C28 116.8(6) . .
C27 C26 C25 121.9(6) . .
C27 C26 H26 119.0 . .
C25 C26 H26 119.0 . .
C26 C27 C22 119.0(7) . .
C26 C27 H27 120.5 . .
C22 C27 H27 120.5 . .
C25 C28 C30 112.9(6) . .
C25 C28 C31 111.4(5) . .
C30 C28 C31 106.2(5) . .
C25 C28 C29 106.8(5) . .
C30 C28 C29 106.8(6) . .
C31 C28 C29 112.8(5) . .
F7 C29 F8 106.6(6) . .
F7 C29 F9 106.5(6) . .
F8 C29 F9 106.5(6) . .
F7 C29 C28 111.5(6) . .
F8 C29 C28 113.8(6) . .
F9 C29 C28 111.5(6) . .
F12 C30 F10 105.8(6) . .
F12 C30 F11 105.3(6) . .
F10 C30 F11 105.9(6) . .
F12 C30 C28 112.0(6) . .
F10 C30 C28 114.9(6) . .
F11 C30 C28 112.3(6) . .
C32 C31 C36 117.1(6) . .
C32 C31 C28 124.8(6) . .
C36 C31 C28 118.0(6) . .
C33 C32 C31 121.5(6) . .
C33 C32 H32 119.2 . .
C31 C32 H32 119.2 . .
C34 C33 C32 120.2(6) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
O10 C34 C33 124.9(6) . .
O10 C34 C35 116.3(6) . .
C33 C34 C35 118.7(6) . .
C36 C35 C34 120.8(6) . .
C36 C35 H35 119.6 . .
C34 C35 H35 119.6 . .
C35 C36 C31 121.6(6) . .
C35 C36 H36 119.2 . .
C31 C36 H36 119.2 . .
O10 C37 C38 110.8(5) . .
O10 C37 H37A 109.5 . .
C38 C37 H37A 109.5 . .
O10 C37 H37B 109.5 . .
C38 C37 H37B 109.5 . .
H37A C37 H37B 108.1 . .
O12 C38 O11 122.3(6) . .
O12 C38 C37 121.1(6) . .
O11 C38 C37 116.6(6) . .
N1 C39 C40 122.7(6) . .
N1 C39 H39 118.7 . .
C40 C39 H39 118.7 . .
C39 C40 C41 120.4(6) . .
C39 C40 H40 119.8 . .
C41 C40 H40 119.8 . .
C42 C41 C40 115.8(6) . .
C42 C41 C41 123.0(7) . 2_774
C40 C41 C41 121.2(7) . 2_774
C43 C42 C41 120.4(6) . .
C43 C42 H42 119.8 . .
C41 C42 H42 119.8 . .
N1 C43 C42 123.3(6) . .
N1 C43 H43 118.3 . .
C42 C43 H43 118.3 . .
C39 N1 C43 117.4(6) . .
C39 N1 Pb1 125.8(4) . .
C43 N1 Pb1 116.3(4) . .
C1 O1 Pb1 101.7(4) . .
C1 O2 Pb2 139.5(5) . 2_665
C3 O3 C2 118.3(5) . .
C18 O4 C15 116.2(6) . .
C19 O5 Pb2 101.6(5) . .
C19 O6 Pb1 125.7(4) . 1_556
C20 O7 Pb2 122.5(5) . .
C22 O9 C21 116.9(5) . .
C34 O10 C37 116.9(5) . .
C38 O11 Pb2 148.7(5) . 2_676
C38 O11 Pb1 89.9(4) . 2_575
Pb2 O11 Pb1 112.50(17) 2_676 2_575
C38 O12 Pb1 95.9(4) . 2_575
O12 Pb1 O1 75.22(16) 2_575 .
O12 Pb1 O11 51.43(15) 2_575 2_575
O1 Pb1 O11 78.67(16) . 2_575
O12 Pb1 N1 74.30(16) 2_575 .
O1 Pb1 N1 87.26(17) . .
O11 Pb1 N1 125.71(16) 2_575 .
O12 Pb1 O6 103.00(16) 2_575 1_554
O1 Pb1 O6 168.40(15) . 1_554
O11 Pb1 O6 109.45(16) 2_575 1_554
N1 Pb1 O6 81.26(17) . 1_554
O5 Pb2 O7 106.7(2) . .
O5 Pb2 O2 93.1(2) . 2_665
O7 Pb2 O2 89.07(17) . 2_665
O5 Pb2 O11 98.12(19) . 2_676
O7 Pb2 O11 106.53(17) . 2_676
O2 Pb2 O11 157.12(17) 2_665 2_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.251(8) .
C1 O2 1.263(8) .
C1 C2 1.501(9) .
C2 O3 1.427(8) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.365(9) .
C3 O3 1.379(8) .
C3 C8 1.384(9) .
C4 C5 1.393(10) .
C4 H4 0.9300 .
C5 C6 1.389(9) .
C5 H5 0.9300 .
C6 C7 1.385(9) .
C6 C9 1.540(9) .
C7 C8 1.390(9) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C12 1.531(9) .
C9 C11 1.546(10) .
C9 C10 1.558(10) .
C10 F1 1.320(9) .
C10 F3 1.330(8) .
C10 F2 1.352(8) .
C11 F5 1.326(9) .
C11 F4 1.335(9) .
C11 F6 1.335(9) .
C12 C17 1.393(10) .
C12 C13 1.399(9) .
C13 C14 1.371(10) .
C13 H13 0.9300 .
C14 C15 1.355(11) .
C14 H14 0.9300 .
C15 O4 1.387(8) .
C15 C16 1.390(10) .
C16 C17 1.376(10) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 O4 1.359(9) .
C18 C19 1.502(10) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 O6 1.228(8) .
C19 O5 1.252(8) .
C20 O7 1.237(9) .
C20 O8 1.252(8) .
C20 C21 1.525(9) .
C21 O9 1.424(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.360(9) .
C22 O9 1.391(7) .
C22 C27 1.392(9) .
C23 C24 1.403(9) .
C23 H23 0.9300 .
C24 C25 1.383(9) .
C24 H24 0.9300 .
C25 C26 1.394(9) .
C25 C28 1.529(9) .
C26 C27 1.388(9) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C30 1.534(10) .
C28 C31 1.538(9) .
C28 C29 1.554(9) .
C29 F7 1.335(9) .
C29 F8 1.342(8) .
C29 F9 1.344(8) .
C30 F12 1.338(8) .
C30 F10 1.340(8) .
C30 F11 1.345(8) .
C31 C32 1.383(9) .
C31 C36 1.395(9) .
C32 C33 1.381(9) .
C32 H32 0.9300 .
C33 C34 1.380(9) .
C33 H33 0.9300 .
C34 O10 1.357(7) .
C34 C35 1.380(9) .
C35 C36 1.361(9) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 O10 1.411(7) .
C37 C38 1.509(9) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 O12 1.241(8) .
C38 O11 1.265(7) .
C39 N1 1.331(8) .
C39 C40 1.380(9) .
C39 H39 0.9300 .
C40 C41 1.399(9) .
C40 H40 0.9300 .
C41 C42 1.385(9) .
C41 C41 1.492(12) 2_774
C42 C43 1.373(9) .
C42 H42 0.9300 .
C43 N1 1.335(8) .
C43 H43 0.9300 .
N1 Pb1 2.600(5) .
O1 Pb1 2.501(5) .
O2 Pb2 2.533(5) 2_665
O5 Pb2 2.431(6) .
O6 Pb1 2.735(5) 1_556
O7 Pb2 2.506(5) .
O11 Pb2 2.535(5) 2_676
O11 Pb1 2.584(4) 2_575
O12 Pb1 2.470(5) 2_575
Pb1 O12 2.469(5) 2_575
Pb1 O11 2.584(4) 2_575
Pb1 O6 2.735(5) 1_554
Pb2 O2 2.533(5) 2_665
Pb2 O11 2.535(5) 2_676
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
O1 C1 C2 O3 -163.9(6) . . . .
O2 C1 C2 O3 14.9(9) . . . .
O3 C3 C4 C5 -176.3(6) . . . .
C8 C3 C4 C5 2.2(10) . . . .
C3 C4 C5 C6 -0.3(11) . . . .
C4 C5 C6 C7 -1.3(10) . . . .
C4 C5 C6 C9 173.7(6) . . . .
C5 C6 C7 C8 0.9(10) . . . .
C9 C6 C7 C8 -173.8(6) . . . .
C4 C3 C8 C7 -2.5(10) . . . .
O3 C3 C8 C7 175.8(6) . . . .
C6 C7 C8 C3 1.0(10) . . . .
C7 C6 C9 C12 -143.4(6) . . . .
C5 C6 C9 C12 41.9(8) . . . .
C7 C6 C9 C11 -23.9(9) . . . .
C5 C6 C9 C11 161.5(6) . . . .
C7 C6 C9 C10 94.7(8) . . . .
C5 C6 C9 C10 -80.0(7) . . . .
C12 C9 C10 F1 -51.9(8) . . . .
C6 C9 C10 F1 69.9(7) . . . .
C11 C9 C10 F1 -169.0(6) . . . .
C12 C9 C10 F3 70.4(8) . . . .
C6 C9 C10 F3 -167.8(6) . . . .
C11 C9 C10 F3 -46.7(9) . . . .
C12 C9 C10 F2 -170.4(6) . . . .
C6 C9 C10 F2 -48.6(8) . . . .
C11 C9 C10 F2 72.5(8) . . . .
C12 C9 C11 F5 73.3(8) . . . .
C6 C9 C11 F5 -49.3(8) . . . .
C10 C9 C11 F5 -166.1(6) . . . .
C12 C9 C11 F4 -166.0(6) . . . .
C6 C9 C11 F4 71.4(8) . . . .
C10 C9 C11 F4 -45.4(9) . . . .
C12 C9 C11 F6 -46.6(8) . . . .
C6 C9 C11 F6 -169.2(6) . . . .
C10 C9 C11 F6 73.9(8) . . . .
C6 C9 C12 C17 -140.1(7) . . . .
C11 C9 C12 C17 96.8(8) . . . .
C10 C9 C12 C17 -21.7(9) . . . .
C6 C9 C12 C13 45.3(8) . . . .
C11 C9 C12 C13 -77.9(8) . . . .
C10 C9 C12 C13 163.7(6) . . . .
C17 C12 C13 C14 2.1(10) . . . .
C9 C12 C13 C14 177.2(7) . . . .
C12 C13 C14 C15 -0.3(11) . . . .
C13 C14 C15 O4 -178.9(7) . . . .
C13 C14 C15 C16 -1.4(11) . . . .
C14 C15 C16 C17 1.1(11) . . . .
O4 C15 C16 C17 178.6(7) . . . .
C15 C16 C17 C12 0.9(11) . . . .
C13 C12 C17 C16 -2.4(11) . . . .
C9 C12 C17 C16 -177.2(7) . . . .
O4 C18 C19 O6 19.6(13) . . . .
O4 C18 C19 O5 -163.0(8) . . . .
O7 C20 C21 O9 -18.5(9) . . . .
O8 C20 C21 O9 163.1(6) . . . .
O9 C22 C23 C24 178.2(6) . . . .
C27 C22 C23 C24 -2.7(10) . . . .
C22 C23 C24 C25 2.3(10) . . . .
C23 C24 C25 C26 -0.3(9) . . . .
C23 C24 C25 C28 -177.1(6) . . . .
C24 C25 C26 C27 -1.3(10) . . . .
C28 C25 C26 C27 175.8(6) . . . .
C25 C26 C27 C22 1.0(10) . . . .
C23 C22 C27 C26 1.1(10) . . . .
O9 C22 C27 C26 -179.7(6) . . . .
C24 C25 C28 C30 -13.9(9) . . . .
C26 C25 C28 C30 169.3(6) . . . .
C24 C25 C28 C31 -133.3(6) . . . .
C26 C25 C28 C31 49.9(7) . . . .
C24 C25 C28 C29 103.1(7) . . . .
C26 C25 C28 C29 -73.7(7) . . . .
C25 C28 C29 F7 69.8(7) . . . .
C30 C28 C29 F7 -169.2(5) . . . .
C31 C28 C29 F7 -52.9(8) . . . .
C25 C28 C29 F8 -169.5(6) . . . .
C30 C28 C29 F8 -48.5(8) . . . .
C31 C28 C29 F8 67.8(8) . . . .
C25 C28 C29 F9 -49.1(8) . . . .
C30 C28 C29 F9 71.9(7) . . . .
C31 C28 C29 F9 -171.8(6) . . . .
C25 C28 C30 F12 -52.3(7) . . . .
C31 C28 C30 F12 70.0(7) . . . .
C29 C28 C30 F12 -169.3(5) . . . .
C25 C28 C30 F10 68.4(8) . . . .
C31 C28 C30 F10 -169.3(5) . . . .
C29 C28 C30 F10 -48.6(8) . . . .
C25 C28 C30 F11 -170.5(5) . . . .
C31 C28 C30 F11 -48.2(7) . . . .
C29 C28 C30 F11 72.5(7) . . . .
C25 C28 C31 C32 -132.5(7) . . . .
C30 C28 C31 C32 104.2(8) . . . .
C29 C28 C31 C32 -12.5(10) . . . .
C25 C28 C31 C36 51.3(8) . . . .
C30 C28 C31 C36 -72.0(8) . . . .
C29 C28 C31 C36 171.4(6) . . . .
C36 C31 C32 C33 3.1(11) . . . .
C28 C31 C32 C33 -173.1(7) . . . .
C31 C32 C33 C34 -0.8(11) . . . .
C32 C33 C34 O10 177.8(7) . . . .
C32 C33 C34 C35 -1.3(11) . . . .
O10 C34 C35 C36 -178.3(7) . . . .
C33 C34 C35 C36 0.9(11) . . . .
C34 C35 C36 C31 1.6(11) . . . .
C32 C31 C36 C35 -3.5(11) . . . .
C28 C31 C36 C35 172.9(7) . . . .
O10 C37 C38 O12 24.0(10) . . . .
O10 C37 C38 O11 -159.0(6) . . . .
N1 C39 C40 C41 0.7(12) . . . .
C39 C40 C41 C42 0.0(11) . . . .
C39 C40 C41 C41 178.8(8) . . . 2_774
C40 C41 C42 C43 -0.9(11) . . . .
C41 C41 C42 C43 -179.7(8) 2_774 . . .
C41 C42 C43 N1 1.2(12) . . . .
C40 C39 N1 C43 -0.4(11) . . . .
C40 C39 N1 Pb1 170.4(6) . . . .
C42 C43 N1 C39 -0.5(11) . . . .
C42 C43 N1 Pb1 -172.3(6) . . . .
O2 C1 O1 Pb1 -7.4(8) . . . .
C2 C1 O1 Pb1 171.4(5) . . . .
O1 C1 O2 Pb2 -169.2(5) . . . 2_665
C2 C1 O2 Pb2 12.0(11) . . . 2_665
C4 C3 O3 C2 -158.3(6) . . . .
C8 C3 O3 C2 23.3(9) . . . .
C1 C2 O3 C3 170.1(5) . . . .
C19 C18 O4 C15 178.5(8) . . . .
C14 C15 O4 C18 -118.2(9) . . . .
C16 C15 O4 C18 64.3(11) . . . .
O6 C19 O5 Pb2 2.4(9) . . . .
C18 C19 O5 Pb2 -174.9(6) . . . .
O5 C19 O6 Pb1 -124.5(7) . . . 1_556
C18 C19 O6 Pb1 52.7(10) . . . 1_556
O8 C20 O7 Pb2 -9.5(10) . . . .
C21 C20 O7 Pb2 172.3(4) . . . .
C23 C22 O9 C21 -7.8(9) . . . .
C27 C22 O9 C21 173.1(6) . . . .
C20 C21 O9 C22 -170.1(5) . . . .
C33 C34 O10 C37 -4.6(10) . . . .
C35 C34 O10 C37 174.6(6) . . . .
C38 C37 O10 C34 174.3(6) . . . .
O12 C38 O11 Pb2 -144.1(6) . . . 2_676
C37 C38 O11 Pb2 39.0(12) . . . 2_676
O12 C38 O11 Pb1 -6.9(7) . . . 2_575
C37 C38 O11 Pb1 176.2(6) . . . 2_575
O11 C38 O12 Pb1 7.2(8) . . . 2_575
C37 C38 O12 Pb1 -176.0(6) . . . 2_575
C1 O1 Pb1 O12 147.0(4) . . . 2_575
C1 O1 Pb1 O11 94.2(4) . . . 2_575
C1 O1 Pb1 N1 -138.5(4) . . . .
C1 O1 Pb1 O6 -130.4(7) . . . 1_554
C39 N1 Pb1 O12 25.7(6) . . . 2_575
C43 N1 Pb1 O12 -163.3(5) . . . 2_575
C39 N1 Pb1 O1 -49.7(6) . . . .
C43 N1 Pb1 O1 121.3(5) . . . .
C39 N1 Pb1 O11 24.2(7) . . . 2_575
C43 N1 Pb1 O11 -164.8(5) . . . 2_575
C39 N1 Pb1 O6 132.0(6) . . . 1_554
C43 N1 Pb1 O6 -57.1(5) . . . 1_554
C19 O5 Pb2 O7 37.3(5) . . . .
C19 O5 Pb2 O2 127.2(5) . . . 2_665
C19 O5 Pb2 O11 -72.8(5) . . . 2_676
C20 O7 Pb2 O5 131.7(6) . . . .
C20 O7 Pb2 O2 38.8(6) . . . 2_665
C20 O7 Pb2 O11 -124.2(6) . . . 2_676
