#------------------------------------------------------------------------------
#$Date: 2020-09-11 05:13:52 +0300 (Fri, 11 Sep 2020) $
#$Revision: 256335 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/12/7241207.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_7241207
loop_
_publ_author_name
'Hammer, Arden C.'
'Jia, Xiwen'
'Zeller, Matthias'
'Coughlin, Ezra John'
'Zhang, Weiguo'
'Oertel, Catherine M.'
_publ_section_title
;
 Ligand Geometry Directs the Packing and Symmetry of One-Dimensional
 Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE01150A
_journal_year                    2020
_chemical_formula_sum            'C26 H18 O5 Pb2'
_chemical_formula_weight         824.78
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-11-22 deposited with the CCDC.	2020-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.0445(16)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.0324(8)
_cell_length_b                   50.385(4)
_cell_length_c                   16.6466(14)
_cell_measurement_reflns_used    9664
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.9525
_cell_measurement_theta_min      2.9379
_cell_volume                     9201.9(13)
_computing_cell_refinement       'SAINT V8.37A (Bruker, 2016)'
_computing_data_collection       'Apex3 v2016.9-0 (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.37A (Bruker, 2016)'
_computing_structure_refinement
;  
SHELXL-2017/1 (Sheldrick, 2015, 2017), 
SHELXLE Rev859 (Hübschle et al., 2011)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       68
_diffrn_reflns_limit_k_min       -71
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            110873
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         2.839
_diffrn_source                   'sealed tube X-ray source'
_exptl_absorpt_coefficient_mu    14.653
_exptl_absorpt_correction_T_max  0.0551
_exptl_absorpt_correction_T_min  0.0187
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.381
_exptl_crystal_description       needle
_exptl_crystal_F_000             6048
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.416
_refine_diff_density_min         -1.637
_refine_diff_density_rms         0.205
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1457
_refine_ls_number_reflns         27578
_refine_ls_number_restraints     994
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0273P)²+60.3172P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0818
_refine_ls_wR_factor_ref         0.0929
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20288
_reflns_number_total             27578
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce01150a2.cif
_cod_data_source_block           lead_oxide_biphenyl-2-carboxylate(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7241207
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_min   0.093
_shelx_estimated_absorpt_t_max   0.528
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 0.21705(2) 0.41496(2) 0.80697(2) 0.03647(6) Uani 1 1 d . . . . .
Pb2 Pb 0.29700(2) 0.34925(2) 0.83467(2) 0.03200(5) Uani 1 1 d . . . . .
Pb3 Pb 0.43624(2) 0.38610(2) 0.65574(2) 0.03059(5) Uani 1 1 d . . . . .
Pb4 Pb 0.55360(2) 0.39988(2) 0.85073(2) 0.02943(5) Uani 1 1 d . . . . .
Pb5 Pb 0.77658(2) 0.40610(2) 0.69676(2) 0.03198(5) Uani 1 1 d . . . . .
Pb6 Pb 0.70337(2) 0.34133(2) 0.72866(2) 0.02978(5) Uani 1 1 d . . . . .
Pb7 Pb 1.02493(2) 0.35757(2) 0.67206(2) 0.03089(5) Uani 1 1 d . . . . .
Pb8 Pb 0.9762(2) 0.36608(4) 0.87544(14) 0.0433(4) Uani 0.722(4) 1 d . . P A 1
Pb8B Pb 0.9737(6) 0.37050(8) 0.8720(4) 0.0294(6) Uani 0.278(4) 1 d . . P A 2
O1 O 0.1253(4) 0.37291(10) 0.7964(3) 0.0324(9) Uani 1 1 d . . . . .
O2 O 0.3735(4) 0.38726(10) 0.7856(3) 0.0293(9) Uani 1 1 d . . . . .
O3 O 0.6191(4) 0.38233(9) 0.7363(3) 0.0287(9) Uani 1 1 d . . . . .
O4 O 0.8698(4) 0.36877(10) 0.7479(3) 0.0313(9) Uani 1 1 d . . . . .
O5 O 0.2207(5) 0.42177(14) 0.6682(4) 0.0555(16) Uani 1 1 d . . . . .
O6 O 0.0238(5) 0.41131(14) 0.6597(5) 0.065(2) Uani 1 1 d . . . . .
C1 C 0.1128(7) 0.42154(18) 0.6311(7) 0.054(2) Uani 1 1 d . . . . .
C2 C 0.1016(8) 0.43193(19) 0.5459(7) 0.056(2) Uani 1 1 d . . . . .
C3 C 0.0907(11) 0.4143(3) 0.4824(8) 0.079(4) Uani 1 1 d . . . . .
H3 H 0.084273 0.395782 0.491656 0.095 Uiso 1 1 calc R U . . .
C4 C 0.0892(16) 0.4240(4) 0.4057(9) 0.102(5) Uani 1 1 d . . . . .
H4 H 0.078497 0.411993 0.361630 0.123 Uiso 1 1 calc R U . . .
C5 C 0.1027(15) 0.4505(4) 0.3898(9) 0.098(5) Uani 1 1 d . . . . .
H5 H 0.107240 0.456565 0.336111 0.118 Uiso 1 1 calc R U . . .
C6 C 0.1093(11) 0.4681(3) 0.4528(8) 0.076(3) Uani 1 1 d . . . . .
H6 H 0.112789 0.486528 0.441917 0.091 Uiso 1 1 calc R U . . .
C7 C 0.1111(8) 0.4594(2) 0.5341(7) 0.061(3) Uani 1 1 d . . . . .
C8 C 0.1217(9) 0.4783(2) 0.6007(7) 0.059(2) Uani 1 1 d . . . . .
C9 C 0.0480(10) 0.4772(3) 0.6639(8) 0.070(3) Uani 1 1 d . . . . .
H9 H -0.013107 0.463878 0.662826 0.084 Uiso 1 1 calc R U . . .
C10 C 0.0607(15) 0.4943(3) 0.7262(9) 0.091(4) Uani 1 1 d . . . . .
H10 H 0.010813 0.492572 0.769049 0.109 Uiso 1 1 calc R U . . .
C11 C 0.1470(17) 0.5146(3) 0.7279(12) 0.101(5) Uani 1 1 d . . . . .
H11 H 0.155880 0.526871 0.771386 0.121 Uiso 1 1 calc R U . . .
C12 C 0.2192(13) 0.5164(3) 0.6655(10) 0.085(4) Uani 1 1 d . . . . .
H12 H 0.278526 0.530122 0.666186 0.102 Uiso 1 1 calc R U . . .
C13 C 0.2068(11) 0.4988(2) 0.6023(8) 0.069(3) Uani 1 1 d . . . . .
H13 H 0.256642 0.500521 0.559348 0.083 Uiso 1 1 calc R U . . .
O7 O 0.3439(7) 0.37676(18) 0.9546(4) 0.0445(16) Uani 0.722(4) 1 d D U P A 1
O8 O 0.1617(7) 0.3679(2) 0.9915(5) 0.0567(19) Uani 0.722(4) 1 d D U P A 1
C14 C 0.2701(8) 0.3735(3) 1.0069(5) 0.0455(18) Uani 0.722(4) 1 d D U P A 1
C15 C 0.3179(10) 0.3746(2) 1.0959(5) 0.0467(18) Uani 0.722(4) 1 d D U P A 1
C16 C 0.2749(11) 0.3563(3) 1.1466(6) 0.053(2) Uani 0.722(4) 1 d D U P A 1
H16 H 0.213785 0.344130 1.125423 0.064 Uiso 0.722(4) 1 calc R U P A 1
C17 C 0.3177(11) 0.3548(3) 1.2279(6) 0.053(2) Uani 0.722(4) 1 d D U P A 1
H17 H 0.286644 0.341930 1.262054 0.064 Uiso 0.722(4) 1 calc R U P A 1
C18 C 0.4071(11) 0.3727(3) 1.2583(6) 0.053(2) Uani 0.722(4) 1 d D U P A 1
H18 H 0.438166 0.371904 1.313724 0.064 Uiso 0.722(4) 1 calc R U P A 1
C19 C 0.4505(14) 0.3912(3) 1.2096(6) 0.053(2) Uani 0.722(4) 1 d D U P A 1
H19 H 0.511898 0.403263 1.231084 0.064 Uiso 0.722(4) 1 calc R U P A 1
C20 C 0.4052(11) 0.3928(2) 1.1272(6) 0.0494(18) Uani 0.722(4) 1 d D U P A 1
C21 C 0.4494(12) 0.4156(2) 1.0804(7) 0.057(2) Uani 0.722(4) 1 d D U P A 1
C22 C 0.3662(17) 0.4313(3) 1.0355(8) 0.072(3) Uani 0.722(4) 1 d D U P A 1
H22 H 0.281450 0.427491 1.031648 0.086 Uiso 0.722(4) 1 calc R U P A 1
C23 C 0.410(2) 0.4534(4) 0.9950(10) 0.084(4) Uani 0.722(4) 1 d . U P A 1
H23 H 0.354918 0.464315 0.962137 0.101 Uiso 0.722(4) 1 calc R U P A 1
C24 C 0.522(2) 0.4588(4) 1.0021(10) 0.084(4) Uani 0.722(4) 1 d . U P A 1
H24 H 0.547721 0.474061 0.974977 0.101 Uiso 0.722(4) 1 calc R U P A 1
C25 C 0.611(2) 0.4435(4) 1.0484(10) 0.081(3) Uani 0.722(4) 1 d . U P A 1
H25 H 0.694892 0.448217 1.052833 0.098 Uiso 0.722(4) 1 calc R U P A 1
C26 C 0.5710(17) 0.4210(3) 1.0874(9) 0.067(3) Uani 0.722(4) 1 d . U P A 1
H26 H 0.627360 0.409770 1.118160 0.081 Uiso 0.722(4) 1 calc R U P A 1
O7B O 0.251(2) 0.3676(4) 0.9547(12) 0.052(3) Uani 0.278(4) 1 d D U P A 2
O8B O 0.336(2) 0.4073(4) 0.9392(11) 0.054(3) Uani 0.278(4) 1 d D U P A 2
C14B C 0.305(3) 0.3883(5) 0.9807(11) 0.049(3) Uani 0.278(4) 1 d D U P A 2
C15B C 0.350(2) 0.3898(6) 1.0706(9) 0.050(2) Uani 0.278(4) 1 d D U P A 2
C16B C 0.461(2) 0.4012(7) 1.0923(13) 0.056(3) Uani 0.278(4) 1 d D U P A 2
H16B H 0.502231 0.409855 1.052022 0.067 Uiso 0.278(4) 1 calc R U P A 2
C17B C 0.516(2) 0.4006(7) 1.1707(13) 0.058(3) Uani 0.278(4) 1 d D U P A 2
H17B H 0.597800 0.406534 1.183761 0.069 Uiso 0.278(4) 1 calc R U P A 2
C18B C 0.448(3) 0.3908(11) 1.2300(14) 0.053(3) Uani 0.278(4) 1 d D U P A 2
H18B H 0.482969 0.390273 1.284626 0.064 Uiso 0.278(4) 1 calc R U P A 2
C19B C 0.333(2) 0.3822(7) 1.2107(11) 0.053(2) Uani 0.278(4) 1 d D U P A 2
H19B H 0.285868 0.376945 1.252815 0.064 Uiso 0.278(4) 1 calc R U P A 2
C20B C 0.2799(17) 0.3807(7) 1.1303(11) 0.050(3) Uani 0.278(4) 1 d D U P A 2
C21B C 0.1462(17) 0.3749(6) 1.1155(15) 0.051(3) Uani 0.278(4) 1 d D U P A 2
C22B C 0.063(2) 0.3905(7) 1.0701(16) 0.050(4) Uani 0.278(4) 1 d D U P A 2
H22B H 0.090951 0.405790 1.044074 0.060 Uiso 0.278(4) 1 calc R U P A 2
C23B C -0.055(3) 0.3847(8) 1.0615(17) 0.051(4) Uani 0.278(4) 1 d . U P A 2
H23B H -0.109034 0.396855 1.032551 0.061 Uiso 0.278(4) 1 calc R U P A 2
C24B C -0.107(3) 0.3606(7) 1.0943(15) 0.044(4) Uani 0.278(4) 1 d . U P A 2
H24B H -0.185642 0.353322 1.079754 0.053 Uiso 0.278(4) 1 calc R U P A 2
C25B C -0.024(3) 0.3515(7) 1.1464(15) 0.045(4) Uani 0.278(4) 1 d . U P A 2
H25B H -0.055361 0.341934 1.188860 0.054 Uiso 0.278(4) 1 calc R U P A 2
C26B C 0.103(3) 0.3527(8) 1.1539(17) 0.051(3) Uani 0.278(4) 1 d . U P A 2
H26B H 0.153946 0.339891 1.182064 0.061 Uiso 0.278(4) 1 calc R U P A 2
O9 O 0.4569(5) 0.33797(11) 0.6730(4) 0.0491(14) Uani 1 1 d . . . . .
O10 O 0.2632(5) 0.34702(12) 0.6560(4) 0.0492(14) Uani 1 1 d . . . . .
C27 C 0.3491(6) 0.33076(16) 0.6566(4) 0.0342(14) Uani 1 1 d . . . . .
C28 C 0.3231(6) 0.30211(15) 0.6417(4) 0.0338(14) Uani 1 1 d . . . . .
C29 C 0.3826(7) 0.28422(17) 0.6943(5) 0.0415(16) Uani 1 1 d . . . . .
H29 H 0.443251 0.290312 0.734818 0.050 Uiso 1 1 calc R U . . .
C30 C 0.3553(9) 0.25751(18) 0.6888(5) 0.0497(19) Uani 1 1 d . . . . .
H30 H 0.395654 0.245404 0.726333 0.060 Uiso 1 1 calc R U . . .
C31 C 0.2701(9) 0.24842(19) 0.6293(6) 0.052(2) Uani 1 1 d . . . . .
H31 H 0.250411 0.230071 0.625733 0.062 Uiso 1 1 calc R U . . .
C32 C 0.2126(7) 0.26641(19) 0.5739(5) 0.0472(19) Uani 1 1 d . . . . .
H32 H 0.155254 0.260049 0.531752 0.057 Uiso 1 1 calc R U . . .
C33 C 0.2375(6) 0.29335(16) 0.5793(4) 0.0374(15) Uani 1 1 d . . . . .
C34 C 0.1805(7) 0.31171(19) 0.5171(5) 0.0449(18) Uani 1 1 d . . . . .
C35 C 0.2497(8) 0.32987(19) 0.4792(5) 0.0471(18) Uani 1 1 d . . . . .
H35 H 0.334978 0.330855 0.494456 0.057 Uiso 1 1 calc R U . . .
C36 C 0.1971(11) 0.3466(3) 0.4196(6) 0.074(3) Uani 1 1 d . . . . .
H36 H 0.245277 0.359163 0.394791 0.088 Uiso 1 1 calc R U . . .
C37 C 0.0740(13) 0.3447(3) 0.3967(7) 0.080(4) Uani 1 1 d . . . . .
H37 H 0.037185 0.355790 0.354887 0.096 Uiso 1 1 calc R U . . .
C38 C 0.0053(11) 0.3272(3) 0.4331(7) 0.071(3) Uani 1 1 d . . . . .
H38 H -0.079732 0.326311 0.416655 0.086 Uiso 1 1 calc R U . . .
C39 C 0.0548(8) 0.3106(2) 0.4933(6) 0.055(2) Uani 1 1 d . . . . .
H39 H 0.004559 0.298464 0.518442 0.066 Uiso 1 1 calc R U . . .
O11 O 0.5435(5) 0.43383(11) 0.7450(4) 0.0436(12) Uani 1 1 d . . . . .
O12 O 0.3997(6) 0.44911(12) 0.8140(4) 0.0490(13) Uani 1 1 d . . . . .
C40 C 0.4781(7) 0.45262(15) 0.7672(5) 0.0376(15) Uani 1 1 d . . . . .
C41 C 0.5019(8) 0.48034(17) 0.7389(5) 0.0459(18) Uani 1 1 d . . . . .
C42 C 0.4890(11) 0.50062(19) 0.7939(6) 0.059(2) Uani 1 1 d . . . . .
H42 H 0.458736 0.496686 0.843909 0.070 Uiso 1 1 calc R U . . .
C43 C 0.5199(17) 0.5265(2) 0.7766(8) 0.092(5) Uani 1 1 d . . . . .
H43 H 0.510285 0.540250 0.814638 0.111 Uiso 1 1 calc R U . . .
C44 C 0.5643(16) 0.5324(2) 0.7048(8) 0.085(4) Uani 1 1 d . . . . .
H44 H 0.588726 0.550030 0.693772 0.102 Uiso 1 1 calc R U . . .
C45 C 0.5733(12) 0.5123(2) 0.6481(8) 0.070(3) Uani 1 1 d . . . . .
H45 H 0.599478 0.516564 0.597029 0.084 Uiso 1 1 calc R U . . .
C46 C 0.5445(9) 0.48632(17) 0.6651(6) 0.0501(19) Uani 1 1 d . . . . .
C47 C 0.5507(8) 0.46670(16) 0.5997(5) 0.0438(17) Uani 1 1 d . . . . .
C48 C 0.4502(8) 0.45160(15) 0.5700(5) 0.0439(17) Uani 1 1 d . . . . .
H48 H 0.376801 0.453130 0.594790 0.053 Uiso 1 1 calc R U . . .
C49 C 0.4540(9) 0.43472(19) 0.5066(6) 0.054(2) Uani 1 1 d . . . . .
H49 H 0.383217 0.425210 0.485756 0.064 Uiso 1 1 calc R U . . .
C50 C 0.5650(12) 0.4315(2) 0.4719(6) 0.067(3) Uani 1 1 d . . . . .
H50 H 0.569677 0.419575 0.428178 0.081 Uiso 1 1 calc R U . . .
C51 C 0.6659(12) 0.4458(2) 0.5020(8) 0.071(3) Uani 1 1 d . . . . .
H51 H 0.740912 0.443507 0.479519 0.085 Uiso 1 1 calc R U . . .
C52 C 0.6586(9) 0.4632(2) 0.5642(7) 0.058(2) Uani 1 1 d . . . . .
H52 H 0.728703 0.473118 0.583820 0.070 Uiso 1 1 calc R U . . .
O13 O 0.7710(7) 0.3737(2) 0.5889(4) 0.079(3) Uani 1 1 d . . . . .
O14 O 0.5764(7) 0.36842(16) 0.5453(4) 0.0634(18) Uani 1 1 d . . . . .
C53 C 0.6854(8) 0.36953(18) 0.5346(5) 0.0451(17) Uani 1 1 d . . . . .
C54 C 0.7198(6) 0.36602(18) 0.4502(5) 0.0417(16) Uani 1 1 d . . . . .
C55 C 0.7828(8) 0.3860(2) 0.4157(6) 0.055(2) Uani 1 1 d . . . . .
H55 H 0.814514 0.400618 0.447379 0.066 Uiso 1 1 calc R U . . .
C56 C 0.7992(10) 0.3846(3) 0.3338(8) 0.074(3) Uani 1 1 d . . . . .
H56 H 0.840453 0.398559 0.309878 0.088 Uiso 1 1 calc R U . . .
C57 C 0.7580(11) 0.3638(3) 0.2880(6) 0.075(4) Uani 1 1 d . . . . .
H57 H 0.767936 0.363406 0.231988 0.090 Uiso 1 1 calc R U . . .
C58 C 0.7019(9) 0.3434(3) 0.3227(5) 0.064(3) Uani 1 1 d . . . . .
H58 H 0.677045 0.328305 0.290930 0.077 Uiso 1 1 calc R U . . .
C59 C 0.6800(7) 0.34400(19) 0.4028(5) 0.0439(18) Uani 1 1 d . . . . .
C60 C 0.6224(7) 0.3204(2) 0.4384(6) 0.051(2) Uani 1 1 d . . . . .
C61 C 0.6709(9) 0.3106(2) 0.5130(7) 0.059(2) Uani 1 1 d . . . . .
H61 H 0.739399 0.319026 0.541555 0.071 Uiso 1 1 calc R U . . .
C62 C 0.6193(11) 0.2884(2) 0.5461(8) 0.068(3) Uani 1 1 d . . . . .
H62 H 0.653393 0.281608 0.596747 0.081 Uiso 1 1 calc R U . . .
C63 C 0.5208(13) 0.2767(2) 0.5061(12) 0.086(4) Uani 1 1 d . . . . .
H63 H 0.484682 0.261897 0.529930 0.104 Uiso 1 1 calc R U . . .
C64 C 0.4728(10) 0.2854(3) 0.4335(11) 0.082(4) Uani 1 1 d . . . . .
H64 H 0.405122 0.276411 0.405557 0.098 Uiso 1 1 calc R U . . .
C65 C 0.5232(8) 0.3079(2) 0.3984(9) 0.072(3) Uani 1 1 d . . . . .
H65 H 0.488438 0.314367 0.347481 0.086 Uiso 1 1 calc R U . . .
O15 O 0.7954(15) 0.4155(3) 0.8466(17) 0.057(2) Uani 0.722(4) 1 d D U P A 1
O16 O 0.9887(12) 0.4145(3) 0.8984(17) 0.064(3) Uani 0.722(4) 1 d D U P A 1
C66 C 0.8850(12) 0.4245(3) 0.8915(9) 0.061(2) Uani 0.722(4) 1 d D U P A 1
C67 C 0.8701(13) 0.4512(3) 0.9326(8) 0.072(2) Uani 0.722(4) 1 d D U P A 1
C68 C 0.8075(15) 0.4710(3) 0.8895(10) 0.081(3) Uani 0.722(4) 1 d D U P A 1
H68 H 0.775995 0.467812 0.835037 0.097 Uiso 0.722(4) 1 calc R U P A 1
C69 C 0.7894(18) 0.4955(3) 0.9233(11) 0.091(3) Uani 0.722(4) 1 d D U P A 1
H69 H 0.743822 0.508867 0.893234 0.110 Uiso 0.722(4) 1 calc R U P A 1
C70 C 0.8390(19) 0.5004(4) 1.0024(11) 0.099(4) Uani 0.722(4) 1 d D U P A 1
H70 H 0.834870 0.517671 1.024449 0.119 Uiso 0.722(4) 1 calc R U P A 1
C71 C 0.8934(19) 0.4805(3) 1.0481(11) 0.096(3) Uani 0.722(4) 1 d D U P A 1
H71 H 0.921139 0.483638 1.103281 0.115 Uiso 0.722(4) 1 calc R U P A 1
C72 C 0.9088(16) 0.4552(3) 1.0141(8) 0.082(3) Uani 0.722(4) 1 d D U P A 1
C73 C 0.9536(12) 0.4328(2) 1.0698(7) 0.087(3) Uani 0.722(4) 1 d DG U P A 1
C74 C 0.8893(10) 0.4091(3) 1.0660(7) 0.086(4) Uani 0.722(4) 1 d DG U P A 1
H74 H 0.820321 0.406874 1.027314 0.103 Uiso 0.722(4) 1 calc R U P A 1
C75 C 0.9260(12) 0.3885(2) 1.1186(8) 0.103(4) Uani 0.722(4) 1 d G U P A 1
H75 H 0.882104 0.372250 1.115998 0.123 Uiso 0.722(4) 1 calc R U P A 1
C76 C 1.0270(13) 0.3917(3) 1.1752(7) 0.104(4) Uani 0.722(4) 1 d G U P A 1
H76 H 1.052096 0.377645 1.211175 0.125 Uiso 0.722(4) 1 calc R U P A 1
C77 C 1.0913(11) 0.4155(3) 1.1790(7) 0.107(4) Uani 0.722(4) 1 d G U P A 1
H77 H 1.160308 0.417665 1.217667 0.128 Uiso 0.722(4) 1 calc R U P A 1
C78 C 1.0546(12) 0.4360(3) 1.1263(8) 0.096(3) Uani 0.722(4) 1 d G U P A 1
H78 H 1.098526 0.452289 1.128983 0.115 Uiso 0.722(4) 1 calc R U P A 1
O15B O 0.813(4) 0.4139(8) 0.851(5) 0.058(4) Uani 0.278(4) 1 d D U P A -2
O16B O 1.006(3) 0.4185(8) 0.895(5) 0.061(4) Uani 0.278(4) 1 d D U P A -2
C66B C 0.902(3) 0.4281(5) 0.877(3) 0.062(3) Uani 0.278(4) 1 d D U P A -2
C67B C 0.893(3) 0.4582(5) 0.873(2) 0.071(3) Uani 0.278(4) 1 d D U P A -2
C68B C 0.803(3) 0.4696(6) 0.821(2) 0.075(4) Uani 0.278(4) 1 d D U P A -2
H68B H 0.749357 0.458349 0.788243 0.090 Uiso 0.278(4) 1 calc R U P A -2
C69B C 0.788(4) 0.4967(6) 0.814(2) 0.083(4) Uani 0.278(4) 1 d D U P A -2
H69B H 0.730334 0.504074 0.773973 0.100 Uiso 0.278(4) 1 calc R U P A -2
C70B C 0.860(4) 0.5130(6) 0.867(3) 0.086(4) Uani 0.278(4) 1 d D U P A -2
H70B H 0.848648 0.531717 0.865368 0.103 Uiso 0.278(4) 1 calc R U P A -2
C71B C 0.946(4) 0.5023(5) 0.922(3) 0.087(4) Uani 0.278(4) 1 d D U P A -2
H71B H 0.993275 0.513595 0.958689 0.105 Uiso 0.278(4) 1 calc R U P A -2
C72B C 0.968(3) 0.4747(5) 0.9245(19) 0.078(3) Uani 0.278(4) 1 d D U P A -2
C73B C 1.054(3) 0.4645(8) 0.9933(17) 0.082(4) Uani 0.278(4) 1 d D U P A -2
C74B C 1.022(4) 0.4642(11) 1.0709(18) 0.089(3) Uani 0.278(4) 1 d D U P A -2
H74B H 0.942234 0.470011 1.079643 0.106 Uiso 0.278(4) 1 calc R U P A -2
C75B C 1.094(5) 0.4565(13) 1.133(3) 0.092(4) Uani 0.278(4) 1 d . U P A -2
H75B H 1.065444 0.454513 1.184063 0.110 Uiso 0.278(4) 1 calc R U P A -2
C76B C 1.220(5) 0.4509(13) 1.121(3) 0.091(4) Uani 0.278(4) 1 d . U P A -2
H76B H 1.276542 0.445102 1.164350 0.109 Uiso 0.278(4) 1 calc R U P A -2
C77B C 1.254(5) 0.4546(12) 1.042(3) 0.086(5) Uani 0.278(4) 1 d . U P A -2
H77B H 1.336549 0.451995 1.031883 0.103 Uiso 0.278(4) 1 calc R U P A -2
C78B C 1.174(4) 0.4613(11) 0.985(3) 0.081(5) Uani 0.278(4) 1 d . U P A -2
H78B H 1.200339 0.464214 0.932719 0.098 Uiso 0.278(4) 1 calc R U P A -2
O17 O 0.7480(5) 0.33461(12) 0.8765(3) 0.0455(13) Uani 1 1 d . . . . .
O18 O 0.5576(6) 0.34827(13) 0.8701(4) 0.0522(15) Uani 1 1 d . . . . .
C79 C 0.6466(7) 0.33590(15) 0.9042(5) 0.0399(16) Uani 1 1 d . . . . .
C80 C 0.6322(7) 0.32273(16) 0.9841(4) 0.0385(15) Uani 1 1 d . . . . .
C81 C 0.5834(8) 0.33753(17) 1.0420(5) 0.0459(18) Uani 1 1 d . . . . .
H81 H 0.557006 0.355137 1.029558 0.055 Uiso 1 1 calc R U . . .
C82 C 0.5718(8) 0.3275(2) 1.1180(5) 0.052(2) Uani 1 1 d . . . . .
H82 H 0.538486 0.338051 1.157544 0.063 Uiso 1 1 calc R U . . .
C83 C 0.6096(8) 0.30170(19) 1.1357(5) 0.0477(19) Uani 1 1 d . . . . .
H83 H 0.602319 0.294505 1.187740 0.057 Uiso 1 1 calc R U . . .
C84 C 0.6573(7) 0.28663(17) 1.0785(4) 0.0406(16) Uani 1 1 d . . . . .
H84 H 0.683509 0.269056 1.091813 0.049 Uiso 1 1 calc R U . . .
C85 C 0.6688(6) 0.29634(14) 1.0009(4) 0.0314(13) Uani 1 1 d . . . . .
C86 C 0.7057(6) 0.27802(14) 0.9388(4) 0.0338(13) Uani 1 1 d . . . . .
C87 C 0.6414(7) 0.27703(17) 0.8622(5) 0.0425(16) Uani 1 1 d . . . . .
H87 H 0.576806 0.289243 0.848979 0.051 Uiso 1 1 calc R U . . .
C88 C 0.6690(8) 0.25886(18) 0.8052(5) 0.0460(18) Uani 1 1 d . . . . .
H88 H 0.623559 0.258462 0.753500 0.055 Uiso 1 1 calc R U . . .
C89 C 0.7643(8) 0.24102(18) 0.8242(6) 0.0484(19) Uani 1 1 d . . . . .
H89 H 0.784041 0.228267 0.785617 0.058 Uiso 1 1 calc R U . . .
C90 C 0.8294(8) 0.24203(17) 0.8991(6) 0.0495(19) Uani 1 1 d . . . . .
H90 H 0.895622 0.230179 0.911740 0.059 Uiso 1 1 calc R U . . .
C91 C 0.7998(7) 0.26002(16) 0.9560(5) 0.0436(17) Uani 1 1 d . . . . .
H91 H 0.844659 0.260107 1.007921 0.052 Uiso 1 1 calc R U . . .
O19 O 1.0630(5) 0.31899(10) 0.7560(3) 0.0397(11) Uani 1 1 d D . . . .
O20 O 0.8991(5) 0.30969(11) 0.6745(3) 0.0432(12) Uani 1 1 d D . . . .
C92 C 0.9887(6) 0.30239(14) 0.7222(4) 0.0361(14) Uani 1 1 d D . . . .
C93 C 1.0070(6) 0.27305(13) 0.7349(4) 0.0345(14) Uani 1 1 d D . . . .
C94 C 0.9548(7) 0.25622(15) 0.6757(5) 0.0415(16) Uani 1 1 d D . . . .
H94 H 0.904428 0.263501 0.631301 0.050 Uiso 1 1 calc R U . . .
C95 C 0.9736(8) 0.22917(16) 0.6788(5) 0.0478(18) Uani 1 1 d D . . . .
H95 H 0.935897 0.217945 0.637692 0.057 Uiso 1 1 calc R U . . .
C96 C 1.0488(8) 0.21858(17) 0.7434(6) 0.0505(19) Uani 1 1 d D . . . .
H96 H 1.063175 0.199999 0.746233 0.061 Uiso 1 1 calc R U . . .
C97 C 1.1017(8) 0.23477(16) 0.8024(5) 0.0474(18) Uani 1 1 d D . . . .
H97 H 1.152852 0.227286 0.846072 0.057 Uiso 1 1 calc R U . . .
C98 C 1.0823(6) 0.26240(15) 0.8001(4) 0.0399(15) Uani 1 1 d D . . . .
C99 C 1.1413(7) 0.27833(15) 0.8694(4) 0.0413(17) Uani 1 1 d D . . . .
C100 C 1.0746(8) 0.29409(18) 0.9157(5) 0.0476(19) Uani 1 1 d D . . . .
H100 H 0.989027 0.295830 0.902613 0.057 Uiso 1 1 calc R U . . .
C101 C 1.1333(10) 0.3076(2) 0.9823(6) 0.059(2) Uani 1 1 d . . . . .
H101 H 1.086831 0.318121 1.015109 0.071 Uiso 1 1 calc R U . . .
C102 C 1.2587(9) 0.3057(2) 1.0010(5) 0.061(3) Uani 1 1 d . . . . .
H102 H 1.298179 0.315301 1.045305 0.073 Uiso 1 1 calc R U . . .
C103 C 1.3248(10) 0.2898(2) 0.9553(6) 0.063(3) Uani 1 1 d . . . . .
H103 H 1.410504 0.288438 0.968164 0.075 Uiso 1 1 calc R U . . .
C104 C 1.2676(8) 0.27565(19) 0.8895(6) 0.050(2) Uani 1 1 d . . . . .
H104 H 1.313823 0.264312 0.858772 0.061 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'
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
_geom_angle_publ_flag
O2 Pb1 O5 80.99(19) . . ?
O2 Pb1 O1 76.28(16) . . ?
O5 Pb1 O1 96.4(2) . . ?
O2 Pb1 O8B 72.8(6) . . ?
O5 Pb1 O8B 147.2(5) . . ?
O1 Pb1 O8B 96.3(5) . . ?
O2 Pb1 O12 79.59(18) . . ?
O5 Pb1 O12 81.7(2) . . ?
O1 Pb1 O12 155.78(18) . . ?
O8B Pb1 O12 74.5(5) . . ?
O2 Pb1 Pb2 40.89(11) . . ?
O5 Pb1 Pb2 104.03(17) . . ?
O1 Pb1 Pb2 40.94(11) . . ?
O8B Pb1 Pb2 68.1(5) . . ?
O12 Pb1 Pb2 115.89(14) . . ?
O1 Pb2 O2 77.74(16) . . ?
O1 Pb2 O7B 77.3(6) . . ?
O2 Pb2 O7B 95.6(5) . . ?
O1 Pb2 O7 91.7(2) . . ?
O2 Pb2 O7 76.2(2) . . ?
O1 Pb2 Pb1 42.60(12) . . ?
O2 Pb2 Pb1 40.84(11) . . ?
O7B Pb2 Pb1 69.8(5) . . ?
O7 Pb2 Pb1 66.0(2) . . ?
O3 Pb3 O2 77.94(15) . . ?
O3 Pb3 O9 77.63(17) . . ?
O2 Pb3 O9 87.1(2) . . ?
O3 Pb3 O14 80.7(2) . . ?
O2 Pb3 O14 153.1(2) . . ?
O9 Pb3 O14 72.4(2) . . ?
O3 Pb3 O10 120.38(18) . . ?
O2 Pb3 O10 75.09(18) . . ?
O9 Pb3 O10 49.10(17) . . ?
O14 Pb3 O10 102.4(2) . . ?
O3 Pb3 Pb4 41.32(11) . . ?
O2 Pb3 Pb4 40.61(10) . . ?
O9 Pb3 Pb4 93.90(15) . . ?
O14 Pb3 Pb4 121.92(17) . . ?
O10 Pb3 Pb4 109.68(15) . . ?
O2 Pb4 O3 80.22(16) . . ?
O2 Pb4 O11 83.13(18) . . ?
O3 Pb4 O11 70.46(18) . . ?
O2 Pb4 O18 77.38(18) . . ?
O3 Pb4 O18 73.50(19) . . ?
O11 Pb4 O18 141.3(2) . . ?
O2 Pb4 Pb3 42.52(11) . . ?
O3 Pb4 Pb3 41.87(10) . . ?
O11 Pb4 Pb3 58.54(14) . . ?
O18 Pb4 Pb3 85.16(14) . . ?
O3 Pb5 O4 77.50(16) . . ?
O3 Pb5 O13 84.2(3) . . ?
O4 Pb5 O13 72.2(2) . . ?
O3 Pb5 O15 78.3(4) . . ?
O4 Pb5 O15 78.3(4) . . ?
O13 Pb5 O15 148.3(5) . . ?
O3 Pb5 O15B 80.5(12) . . ?
O4 Pb5 O15B 74.7(10) . . ?
O13 Pb5 O15B 145.8(10) . . ?
O3 Pb5 Pb6 41.27(12) . . ?
O4 Pb5 Pb6 41.79(11) . . ?
O13 Pb5 Pb6 58.9(3) . . ?
O15 Pb5 Pb6 91.2(4) . . ?
O15B Pb5 Pb6 90.3(10) . . ?
O3 Pb6 O4 76.74(16) . . ?
O3 Pb6 O17 96.21(18) . . ?
O4 Pb6 O17 82.59(18) . . ?
O3 Pb6 Pb5 41.05(11) . . ?
O4 Pb6 Pb5 41.18(12) . . ?
O17 Pb6 Pb5 105.01(14) . . ?
O4 Pb7 O1 75.34(15) . 1_655 ?
O4 Pb7 O19 88.49(19) . . ?
O1 Pb7 O19 73.70(17) 1_655 . ?
O4 Pb7 O6 78.42(19) . 1_655 ?
O1 Pb7 O6 74.9(2) 1_655 1_655 ?
O19 Pb7 O6 148.1(2) . 1_655 ?
O4 Pb7 O10 152.03(18) . 1_655 ?
O1 Pb7 O10 77.44(18) 1_655 1_655 ?
O19 Pb7 O10 77.8(2) . 1_655 ?
O6 Pb7 O10 100.60(18) 1_655 1_655 ?
O4 Pb7 Pb8B 39.42(15) . . ?
O1 Pb7 Pb8B 38.35(15) 1_655 . ?
O19 Pb7 Pb8B 68.49(16) . . ?
O6 Pb7 Pb8B 83.5(2) 1_655 . ?
O10 Pb7 Pb8B 112.63(18) 1_655 . ?
O4 Pb7 Pb8 40.75(11) . . ?
O1 Pb7 Pb8 39.04(11) 1_655 . ?
O19 Pb7 Pb8 64.74(14) . . ?
O6 Pb7 Pb8 87.22(19) 1_655 . ?
O10 Pb7 Pb8 111.49(15) 1_655 . ?
O1 Pb8 O4 77.61(18) 1_655 . ?
O1 Pb8 O16 84.6(6) 1_655 . ?
O4 Pb8 O16 95.6(6) . . ?
O1 Pb8 O8 82.2(2) 1_655 1_655 ?
O4 Pb8 O8 159.7(2) . 1_655 ?
O16 Pb8 O8 80.0(5) . 1_655 ?
O1 Pb8 Pb7 41.87(12) 1_655 . ?
O4 Pb8 Pb7 40.38(12) . . ?
O16 Pb8 Pb7 105.0(7) . . ?
O8 Pb8 Pb7 121.3(2) 1_655 . ?
O1 Pb8B O4 79.8(3) 1_655 . ?
O1 Pb8B O16B 85.9(15) 1_655 . ?
O4 Pb8B O16B 103.3(15) . . ?
O1 Pb8B Pb7 42.00(16) 1_655 . ?
O4 Pb8B Pb7 40.40(16) . . ?
O16B Pb8B Pb7 107.2(18) . . ?
Pb8B O1 Pb2 118.2(3) 1_455 . ?
Pb8 O1 Pb2 113.4(2) 1_455 . ?
Pb8B O1 Pb1 110.8(2) 1_455 . ?
Pb8 O1 Pb1 115.6(2) 1_455 . ?
Pb2 O1 Pb1 96.46(16) . . ?
Pb8 O1 Pb7 99.10(17) 1_455 1_455 ?
Pb2 O1 Pb7 111.9(2) . 1_455 ?
Pb1 O1 Pb7 121.2(2) . 1_455 ?
Pb4 O2 Pb1 113.4(2) . . ?
Pb4 O2 Pb2 113.94(18) . . ?
Pb1 O2 Pb2 98.28(16) . . ?
Pb4 O2 Pb3 96.88(16) . . ?
Pb1 O2 Pb3 117.57(18) . . ?
Pb2 O2 Pb3 117.9(2) . . ?
Pb5 O3 Pb6 97.68(16) . . ?
Pb5 O3 Pb4 110.94(19) . . ?
Pb6 O3 Pb4 124.4(2) . . ?
Pb5 O3 Pb3 115.96(19) . . ?
Pb6 O3 Pb3 112.29(19) . . ?
Pb4 O3 Pb3 96.80(16) . . ?
Pb8B O4 Pb5 118.6(2) . . ?
Pb8B O4 Pb6 118.2(2) . . ?
Pb5 O4 Pb6 97.04(16) . . ?
Pb8B O4 Pb7 100.2(2) . . ?
Pb5 O4 Pb7 109.37(19) . . ?
Pb6 O4 Pb7 113.9(2) . . ?
Pb5 O4 Pb8 124.0(2) . . ?
Pb6 O4 Pb8 114.4(2) . . ?
Pb7 O4 Pb8 98.88(17) . . ?
C1 O5 Pb1 111.2(6) . . ?
C1 O6 Pb7 116.4(6) . 1_455 ?
O6 C1 O5 123.3(9) . . ?
O6 C1 C2 120.9(8) . . ?
O5 C1 C2 115.5(8) . . ?
C3 C2 C7 122.0(11) . . ?
C3 C2 C1 119.4(9) . . ?
C7 C2 C1 118.4(10) . . ?
C4 C3 C2 118.5(13) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
C3 C4 C5 122.6(16) . . ?
C3 C4 H4 118.7 . . ?
C5 C4 H4 118.7 . . ?
C6 C5 C4 118.6(13) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
C5 C6 C7 121.8(12) . . ?
C5 C6 H6 119.1 . . ?
C7 C6 H6 119.1 . . ?
C2 C7 C6 116.3(12) . . ?
C2 C7 C8 122.7(10) . . ?
C6 C7 C8 121.0(10) . . ?
C13 C8 C9 117.4(12) . . ?
C13 C8 C7 119.9(10) . . ?
C9 C8 C7 122.6(10) . . ?
C10 C9 C8 122.2(12) . . ?
C10 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
C9 C10 C11 120.1(13) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 118.8(16) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
C13 C12 C11 121.0(13) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C8 120.4(12) . . ?
C12 C13 H13 119.8 . . ?
C8 C13 H13 119.8 . . ?
C14 O7 Pb2 113.2(7) . . ?
C14 O8 Pb8 144.7(7) . 1_455 ?
O8 C14 O7 124.7(8) . . ?
O8 C14 C15 116.2(9) . . ?
O7 C14 C15 118.9(8) . . ?
C16 C15 C20 119.1(8) . . ?
C16 C15 C14 118.0(9) . . ?
C20 C15 C14 122.9(9) . . ?
C15 C16 C17 122.1(11) . . ?
C15 C16 H16 118.9 . . ?
C17 C16 H16 118.9 . . ?
C16 C17 C18 118.4(11) . . ?
C16 C17 H17 120.8 . . ?
C18 C17 H17 120.8 . . ?
C19 C18 C17 120.6(10) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 120.6(11) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C15 C20 C19 119.1(10) . . ?
C15 C20 C21 124.2(9) . . ?
C19 C20 C21 116.6(10) . . ?
C26 C21 C22 121.9(14) . . ?
C26 C21 C20 118.7(11) . . ?
C22 C21 C20 119.3(13) . . ?
C21 C22 C23 118.0(18) . . ?
C21 C22 H22 121.0 . . ?
C23 C22 H22 121.0 . . ?
C24 C23 C22 120.6(18) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 C25 124(2) . . ?
C23 C24 H24 118.2 . . ?
C25 C24 H24 118.2 . . ?
C26 C25 C24 117(2) . . ?
C26 C25 H25 121.4 . . ?
C24 C25 H25 121.4 . . ?
C21 C26 C25 118.6(16) . . ?
C21 C26 H26 120.7 . . ?
C25 C26 H26 120.7 . . ?
C14B O7B Pb2 119.3(18) . . ?
C14B O8B Pb1 117.8(14) . . ?
O8B C14B O7B 126.3(17) . . ?
O8B C14B C15B 115.4(16) . . ?
O7B C14B C15B 118.0(16) . . ?
C16B C15B C20B 119.9(14) . . ?
C16B C15B C14B 117.7(15) . . ?
C20B C15B C14B 122.4(15) . . ?
C15B C16B C17B 122.0(18) . . ?
C15B C16B H16B 119.0 . . ?
C17B C16B H16B 119.0 . . ?
C16B C17B C18B 117.5(18) . . ?
C16B C17B H17B 121.2 . . ?
C18B C17B H17B 121.2 . . ?
C19B C18B C17B 120.8(18) . . ?
C19B C18B H18B 119.6 . . ?
C17B C18B H18B 119.6 . . ?
C18B C19B C20B 121.9(18) . . ?
C18B C19B H19B 119.1 . . ?
C20B C19B H19B 119.1 . . ?
C15B C20B C19B 117.2(15) . . ?
C15B C20B C21B 123.7(15) . . ?
C19B C20B C21B 117.9(16) . . ?
C22B C21B C26B 118(2) . . ?
C22B C21B C20B 124(2) . . ?
C26B C21B C20B 118(2) . . ?
C23B C22B C21B 122(3) . . ?
C23B C22B H22B 119.2 . . ?
C21B C22B H22B 119.2 . . ?
C22B C23B C24B 124(3) . . ?
C22B C23B H23B 118.1 . . ?
C24B C23B H23B 118.1 . . ?
C25B C24B C23B 106(3) . . ?
C25B C24B H24B 127.2 . . ?
C23B C24B H24B 127.2 . . ?
C24B C25B C26B 133(3) . . ?
C24B C25B H25B 113.4 . . ?
C26B C25B H25B 113.4 . . ?
C25B C26B C21B 113(3) . . ?
C25B C26B H26B 123.7 . . ?
C21B C26B H26B 123.7 . . ?
C27 O9 Pb3 100.9(5) . . ?
C27 O10 Pb7 149.9(5) . 1_455 ?
C27 O10 Pb3 86.7(4) . . ?
Pb7 O10 Pb3 122.6(2) 1_455 . ?
O9 C27 O10 121.0(7) . . ?
O9 C27 C28 118.9(6) . . ?
O10 C27 C28 120.0(6) . . ?
C29 C28 C33 120.4(7) . . ?
C29 C28 C27 117.3(6) . . ?
C33 C28 C27 122.3(7) . . ?
C28 C29 C30 120.7(7) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C31 C30 C29 120.1(8) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 119.3(8) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C33 C32 C31 121.4(7) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C32 C33 C28 118.0(7) . . ?
C32 C33 C34 120.1(7) . . ?
C28 C33 C34 121.8(7) . . ?
C35 C34 C39 118.3(9) . . ?
C35 C34 C33 121.2(7) . . ?
C39 C34 C33 120.4(9) . . ?
C36 C35 C34 121.3(9) . . ?
C36 C35 H35 119.3 . . ?
C34 C35 H35 119.3 . . ?
C37 C36 C35 119.1(12) . . ?
C37 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
C38 C37 C36 120.4(10) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C39 121.8(11) . . ?
C37 C38 H38 119.1 . . ?
C39 C38 H38 119.1 . . ?
C38 C39 C34 119.1(11) . . ?
C38 C39 H39 120.5 . . ?
C34 C39 H39 120.5 . . ?
C40 O11 Pb4 107.2(5) . . ?
C40 O12 Pb1 130.2(5) . . ?
O12 C40 O11 122.3(7) . . ?
O12 C40 C41 119.1(7) . . ?
O11 C40 C41 118.5(7) . . ?
C42 C41 C46 119.3(8) . . ?
C42 C41 C40 116.2(8) . . ?
C46 C41 C40 124.3(8) . . ?
C43 C42 C41 120.7(10) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C44 C43 C42 120.1(11) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 119.4(10) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C46 C45 C44 121.0(11) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C45 C46 C41 119.4(9) . . ?
C45 C46 C47 116.9(9) . . ?
C41 C46 C47 123.4(8) . . ?
C48 C47 C52 117.6(9) . . ?
C48 C47 C46 122.0(8) . . ?
C52 C47 C46 120.4(8) . . ?
C49 C48 C47 121.9(9) . . ?
C49 C48 H48 119.0 . . ?
C47 C48 H48 119.0 . . ?
C48 C49 C50 119.1(9) . . ?
C48 C49 H49 120.5 . . ?
C50 C49 H49 120.5 . . ?
C51 C50 C49 119.6(10) . . ?
C51 C50 H50 120.2 . . ?
C49 C50 H50 120.2 . . ?
C52 C51 C50 120.1(10) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C52 C47 121.6(10) . . ?
C51 C52 H52 119.2 . . ?
C47 C52 H52 119.2 . . ?
C53 O13 Pb5 127.3(6) . . ?
C53 O14 Pb3 136.5(6) . . ?
O14 C53 O13 125.1(8) . . ?
O14 C53 C54 118.3(7) . . ?
O13 C53 C54 116.7(8) . . ?
C55 C54 C59 118.8(8) . . ?
C55 C54 C53 119.3(8) . . ?
C59 C54 C53 121.6(8) . . ?
C54 C55 C56 119.3(11) . . ?
C54 C55 H55 120.3 . . ?
C56 C55 H55 120.3 . . ?
C57 C56 C55 121.6(11) . . ?
C57 C56 H56 119.2 . . ?
C55 C56 H56 119.2 . . ?
C56 C57 C58 119.2(10) . . ?
C56 C57 H57 120.4 . . ?
C58 C57 H57 120.4 . . ?
C57 C58 C59 121.9(11) . . ?
C57 C58 H58 119.1 . . ?
C59 C58 H58 119.1 . . ?
C58 C59 C54 119.0(9) . . ?
C58 C59 C60 119.3(9) . . ?
C54 C59 C60 121.6(7) . . ?
C65 C60 C61 118.9(11) . . ?
C65 C60 C59 121.3(10) . . ?
C61 C60 C59 119.8(8) . . ?
C60 C61 C62 120.3(10) . . ?
C60 C61 H61 119.9 . . ?
C62 C61 H61 119.9 . . ?
C63 C62 C61 119.8(13) . . ?
C63 C62 H62 120.1 . . ?
C61 C62 H62 120.1 . . ?
C64 C63 C62 121.5(13) . . ?
C64 C63 H63 119.3 . . ?
C62 C63 H63 119.3 . . ?
C63 C64 C65 119.9(11) . . ?
C63 C64 H64 120.1 . . ?
C65 C64 H64 120.1 . . ?
C60 C65 C64 119.7(13) . . ?
C60 C65 H65 120.2 . . ?
C64 C65 H65 120.2 . . ?
C66 O15 Pb5 129.1(18) . . ?
C66 O16 Pb8 110.4(10) . . ?
O16 C66 O15 124.5(13) . . ?
O16 C66 C67 117.1(12) . . ?
O15 C66 C67 118.0(12) . . ?
C68 C67 C72 119.4(11) . . ?
C68 C67 C66 118.6(11) . . ?
C72 C67 C66 121.8(12) . . ?
C67 C68 C69 121.6(14) . . ?
C67 C68 H68 119.2 . . ?
C69 C68 H68 119.2 . . ?
C68 C69 C70 118.8(15) . . ?
C68 C69 H69 120.6 . . ?
C70 C69 H69 120.6 . . ?
C71 C70 C69 120.5(15) . . ?
C71 C70 H70 119.7 . . ?
C69 C70 H70 119.7 . . ?
C70 C71 C72 120.3(14) . . ?
C70 C71 H71 119.9 . . ?
C72 C71 H71 119.9 . . ?
C67 C72 C71 118.9(12) . . ?
C67 C72 C73 122.6(11) . . ?
C71 C72 C73 118.2(12) . . ?
C74 C73 C78 120.0 . . ?
C74 C73 C72 118.8(9) . . ?
C78 C73 C72 121.1(9) . . ?
C75 C74 C73 120.0 . . ?
C75 C74 H74 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C75 C76 120.0 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C77 C76 C75 120.0 . . ?
C77 C76 H76 120.0 . . ?
C75 C76 H76 120.0 . . ?
C76 C77 C78 120.0 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 H77 120.0 . . ?
C77 C78 C73 120.0 . . ?
C77 C78 H78 120.0 . . ?
C73 C78 H78 120.0 . . ?
C66B O15B Pb5 118(5) . . ?
C66B O16B Pb8B 103(2) . . ?
O16B C66B O15B 122(2) . . ?
O16B C66B C67B 117(2) . . ?
O15B C66B C67B 120(2) . . ?
C68B C67B C72B 118.6(16) . . ?
C68B C67B C66B 119.0(17) . . ?
C72B C67B C66B 122.4(17) . . ?
C67B C68B C69B 122.6(19) . . ?
C67B C68B H68B 118.7 . . ?
C69B C68B H68B 118.7 . . ?
C68B C69B C70B 118(2) . . ?
C68B C69B H69B 120.8 . . ?
C70B C69B H69B 120.8 . . ?
C71B C70B C69B 120(2) . . ?
C71B C70B H70B 119.9 . . ?
C69B C70B H70B 119.9 . . ?
C70B C71B C72B 121.3(19) . . ?
C70B C71B H71B 119.4 . . ?
C72B C71B H71B 119.4 . . ?
C67B C72B C71B 118.7(17) . . ?
C67B C72B C73B 123.0(19) . . ?
C71B C72B C73B 117.2(19) . . ?
C78B C73B C74B 117(3) . . ?
C78B C73B C72B 120(3) . . ?
C74B C73B C72B 121(2) . . ?
C75B C74B C73B 123(4) . . ?
C75B C74B H74B 118.3 . . ?
C73B C74B H74B 118.3 . . ?
C74B C75B C76B 118(5) . . ?
C74B C75B H75B 120.8 . . ?
C76B C75B H75B 120.8 . . ?
C77B C76B C75B 117(5) . . ?
C77B C76B H76B 121.6 . . ?
C75B C76B H76B 121.6 . . ?
C78B C77B C76B 120(5) . . ?
C78B C77B H77B 120.1 . . ?
C76B C77B H77B 120.1 . . ?
C77B C78B C73B 124(5) . . ?
C77B C78B H78B 118.1 . . ?
C73B C78B H78B 118.1 . . ?
C79 O17 Pb6 105.4(5) . . ?
C79 O18 Pb4 123.6(5) . . ?
O18 C79 O17 123.2(8) . . ?
O18 C79 C80 118.0(7) . . ?
O17 C79 C80 118.8(7) . . ?
C81 C80 C85 119.9(7) . . ?
C81 C80 C79 117.8(7) . . ?
C85 C80 C79 122.3(7) . . ?
C80 C81 C82 121.7(8) . . ?
C80 C81 H81 119.1 . . ?
C82 C81 H81 119.1 . . ?
C81 C82 C83 118.9(8) . . ?
C81 C82 H82 120.5 . . ?
C83 C82 H82 120.5 . . ?
C84 C83 C82 120.2(7) . . ?
C84 C83 H83 119.9 . . ?
C82 C83 H83 119.9 . . ?
C83 C84 C85 121.8(7) . . ?
C83 C84 H84 119.1 . . ?
C85 C84 H84 119.1 . . ?
C84 C85 C80 117.5(7) . . ?
C84 C85 C86 119.1(7) . . ?
C80 C85 C86 123.1(6) . . ?
C91 C86 C87 117.6(8) . . ?
C91 C86 C85 121.5(6) . . ?
C87 C86 C85 120.8(7) . . ?
C88 C87 C86 121.8(8) . . ?
C88 C87 H87 119.1 . . ?
C86 C87 H87 119.1 . . ?
C87 C88 C89 119.3(8) . . ?
C87 C88 H88 120.4 . . ?
C89 C88 H88 120.4 . . ?
C90 C89 C88 119.5(8) . . ?
C90 C89 H89 120.3 . . ?
C88 C89 H89 120.3 . . ?
C89 C90 C91 120.7(8) . . ?
C89 C90 H90 119.6 . . ?
C91 C90 H90 119.6 . . ?
C90 C91 C86 121.1(8) . . ?
C90 C91 H91 119.4 . . ?
C86 C91 H91 119.4 . . ?
C92 O19 Pb7 102.2(4) . . ?
O20 C92 O19 121.3(6) . . ?
O20 C92 C93 117.5(6) . . ?
O19 C92 C93 121.2(6) . . ?
C94 C93 C98 119.1(6) . . ?
C94 C93 C92 117.6(6) . . ?
C98 C93 C92 123.0(6) . . ?
C95 C94 C93 122.0(7) . . ?
C95 C94 H94 119.0 . . ?
C93 C94 H94 119.0 . . ?
C94 C95 C96 118.9(7) . . ?
C94 C95 H95 120.6 . . ?
C96 C95 H95 120.6 . . ?
C97 C96 C95 120.2(8) . . ?
C97 C96 H96 119.9 . . ?
C95 C96 H96 119.9 . . ?
C96 C97 C98 121.4(7) . . ?
C96 C97 H97 119.3 . . ?
C98 C97 H97 119.3 . . ?
C93 C98 C97 118.4(7) . . ?
C93 C98 C99 124.4(7) . . ?
C97 C98 C99 117.2(6) . . ?
C100 C99 C104 119.9(7) . . ?
C100 C99 C98 121.8(7) . . ?
C104 C99 C98 118.2(8) . . ?
C99 C100 C101 119.6(8) . . ?
C99 C100 H100 120.2 . . ?
C101 C100 H100 120.2 . . ?
C102 C101 C100 120.7(10) . . ?
C102 C101 H101 119.6 . . ?
C100 C101 H101 119.6 . . ?
C103 C102 C101 119.6(9) . . ?
C103 C102 H102 120.2 . . ?
C101 C102 H102 120.2 . . ?
C102 C103 C104 120.7(9) . . ?
C102 C103 H103 119.6 . . ?
C104 C103 H103 119.6 . . ?
C103 C104 C99 119.4(10) . . ?
C103 C104 H104 120.3 . . ?
C99 C104 H104 120.3 . . ?
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 O2 2.276(4) . ?
Pb1 O5 2.340(7) . ?
Pb1 O1 2.347(5) . ?
Pb1 O8B 2.470(19) . ?
Pb1 O12 2.643(6) . ?
Pb1 Pb2 3.4447(5) . ?
Pb2 O1 2.271(5) . ?
Pb2 O2 2.279(5) . ?
Pb2 O7B 2.31(2) . ?
Pb2 O7 2.441(7) . ?
Pb3 O3 2.310(4) . ?
Pb3 O2 2.339(5) . ?
Pb3 O9 2.450(6) . ?
Pb3 O14 2.677(6) . ?
Pb3 O10 2.743(6) . ?
Pb3 Pb4 3.4365(4) . ?
Pb4 O2 2.253(4) . ?
Pb4 O3 2.285(5) . ?
Pb4 O11 2.449(6) . ?
Pb4 O18 2.620(6) . ?
Pb5 O3 2.264(4) . ?
Pb5 O4 2.267(5) . ?
Pb5 O13 2.422(7) . ?
Pb5 O15 2.53(3) . ?
Pb5 O15B 2.58(8) . ?
Pb5 Pb6 3.4168(4) . ?
Pb6 O3 2.274(5) . ?
Pb6 O4 2.294(5) . ?
Pb6 O17 2.481(5) . ?
Pb7 O4 2.301(4) . ?
Pb7 O1 2.372(5) 1_655 ?
Pb7 O19 2.405(5) . ?
Pb7 O6 2.716(7) 1_655 ?
Pb7 O10 2.722(5) 1_655 ?
Pb7 Pb8B 3.495(6) . ?
Pb7 Pb8 3.510(2) . ?
Pb8 O1 2.239(5) 1_655 ?
Pb8 O4 2.319(5) . ?
Pb8 O16 2.472(15) . ?
Pb8 O8 2.664(8) 1_655 ?
Pb8B O1 2.200(8) 1_655 ?
Pb8B O4 2.255(8) . ?
Pb8B O16B 2.47(4) . ?
O5 C1 1.282(10) . ?
O6 C1 1.247(11) . ?
C1 C2 1.505(15) . ?
C2 C3 1.376(19) . ?
C2 C7 1.402(14) . ?
C3 C4 1.37(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.37(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.37(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.420(17) . ?
C6 H6 0.9500 . ?
C7 C8 1.458(18) . ?
C8 C13 1.392(16) . ?
C8 C9 1.397(17) . ?
C9 C10 1.34(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.39(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.38(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.37(2) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
O7 C14 1.264(11) . ?
O8 C14 1.229(11) . ?
C14 C15 1.520(11) . ?
C15 C16 1.369(14) . ?
C15 C20 1.392(13) . ?
C16 C17 1.388(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.391(14) . ?
C17 H17 0.9500 . ?
C18 C19 1.358(15) . ?
C18 H18 0.9500 . ?
C19 C20 1.411(12) . ?
C19 H19 0.9500 . ?
C20 C21 1.498(14) . ?
C21 C26 1.36(2) . ?
C21 C22 1.373(14) . ?
C22 C23 1.41(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.25(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.42(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.40(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
O7B C14B 1.259(15) . ?
O8B C14B 1.245(15) . ?
C14B C15B 1.527(15) . ?
C15B C16B 1.372(17) . ?
C15B C20B 1.398(16) . ?
C16B C17B 1.381(17) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.393(18) . ?
C17B H17B 0.9500 . ?
C18B C19B 1.352(18) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.404(16) . ?
C19B H19B 0.9500 . ?
C20B C21B 1.499(17) . ?
C21B C22B 1.373(17) . ?
C21B C26B 1.40(4) . ?
C22B C23B 1.33(4) . ?
C22B H22B 0.9500 . ?
C23B C24B 1.47(5) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.28(4) . ?
C24B H24B 0.9500 . ?
C25B C26B 1.39(4) . ?
C25B H25B 0.9500 . ?
C26B H26B 0.9500 . ?
O9 C27 1.245(9) . ?
O10 C27 1.252(9) . ?
C27 C28 1.488(11) . ?
C28 C29 1.374(11) . ?
C28 C33 1.400(10) . ?
C29 C30 1.380(13) . ?
C29 H29 0.9500 . ?
C30 C31 1.370(13) . ?
C30 H30 0.9500 . ?
C31 C32 1.397(14) . ?
C31 H31 0.9500 . ?
C32 C33 1.386(12) . ?
C32 H32 0.9500 . ?
C33 C34 1.478(12) . ?
C34 C35 1.386(14) . ?
C34 C39 1.403(12) . ?
C35 C36 1.381(14) . ?
C35 H35 0.9500 . ?
C36 C37 1.374(19) . ?
C36 H36 0.9500 . ?
C37 C38 1.35(2) . ?
C37 H37 0.9500 . ?
C38 C39 1.374(17) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
O11 C40 1.269(10) . ?
O12 C40 1.237(10) . ?
C40 C41 1.506(11) . ?
C41 C42 1.389(14) . ?
C41 C46 1.393(13) . ?
C42 C43 1.388(16) . ?
C42 H42 0.9500 . ?
C43 C44 1.37(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.395(18) . ?
C44 H44 0.9500 . ?
C45 C46 1.385(13) . ?
C45 H45 0.9500 . ?
C46 C47 1.477(13) . ?
C47 C48 1.392(12) . ?
C47 C52 1.394(13) . ?
C48 C49 1.360(14) . ?
C48 H48 0.9500 . ?
C49 C50 1.417(17) . ?
C49 H49 0.9500 . ?
C50 C51 1.374(19) . ?
C50 H50 0.9500 . ?
C51 C52 1.366(17) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
O13 C53 1.254(11) . ?
O14 C53 1.236(11) . ?
C53 C54 1.503(11) . ?
C54 C55 1.383(13) . ?
C54 C59 1.405(12) . ?
C55 C56 1.396(17) . ?
C55 H55 0.9500 . ?
C56 C57 1.35(2) . ?
C56 H56 0.9500 . ?
C57 C58 1.360(19) . ?
C57 H57 0.9500 . ?
C58 C59 1.380(12) . ?
C58 H58 0.9500 . ?
C59 C60 1.500(14) . ?
C60 C65 1.373(14) . ?
C60 C61 1.390(16) . ?
C61 C62 1.392(16) . ?
C61 H61 0.9500 . ?
C62 C63 1.35(2) . ?
C62 H62 0.9500 . ?
C63 C64 1.34(2) . ?
C63 H63 0.9500 . ?
C64 C65 1.42(2) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
O15 C66 1.259(13) . ?
O16 C66 1.243(12) . ?
C66 C67 1.529(14) . ?
C67 C68 1.373(15) . ?
C67 C72 1.392(14) . ?
C68 C69 1.380(16) . ?
C68 H68 0.9500 . ?
C69 C70 1.392(17) . ?
C69 H69 0.9500 . ?
C70 C71 1.358(17) . ?
C70 H70 0.9500 . ?
C71 C72 1.413(15) . ?
C71 H71 0.9500 . ?
C72 C73 1.509(14) . ?
C73 C74 1.3900 . ?
C73 C78 1.3900 . ?
C74 C75 1.3900 . ?
C74 H74 0.9500 . ?
C75 C76 1.3900 . ?
C75 H75 0.9500 . ?
C76 C77 1.3900 . ?
C76 H76 0.9500 . ?
C77 C78 1.3900 . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
O15B C66B 1.260(15) . ?
O16B C66B 1.249(15) . ?
C66B C67B 1.520(16) . ?
C67B C68B 1.372(17) . ?
C67B C72B 1.400(16) . ?
C68B C69B 1.380(17) . ?
C68B H68B 0.9500 . ?
C69B C70B 1.393(18) . ?
C69B H69B 0.9500 . ?
C70B C71B 1.356(19) . ?
C70B H70B 0.9500 . ?
C71B C72B 1.409(17) . ?
C71B H71B 0.9500 . ?
C72B C73B 1.500(17) . ?
C73B C78B 1.36(6) . ?
C73B C74B 1.377(17) . ?
C74B C75B 1.29(7) . ?
C74B H74B 0.9500 . ?
C75B C76B 1.45(8) . ?
C75B H75B 0.9500 . ?
C76B C77B 1.42(8) . ?
C76B H76B 0.9500 . ?
C77B C78B 1.28(7) . ?
C77B H77B 0.9500 . ?
C78B H78B 0.9500 . ?
O17 C79 1.256(10) . ?
O18 C79 1.249(10) . ?
C79 C80 1.509(11) . ?
C80 C81 1.373(12) . ?
C80 C85 1.409(11) . ?
C81 C82 1.381(13) . ?
C81 H81 0.9500 . ?
C82 C83 1.386(14) . ?
C82 H82 0.9500 . ?
C83 C84 1.366(13) . ?
C83 H83 0.9500 . ?
C84 C85 1.401(10) . ?
C84 H84 0.9500 . ?
C85 C86 1.474(11) . ?
C86 C91 1.385(10) . ?
C86 C87 1.394(10) . ?
C87 C88 1.375(12) . ?
C87 H87 0.9500 . ?
C88 C89 1.394(13) . ?
C88 H88 0.9500 . ?
C89 C90 1.372(14) . ?
C89 H89 0.9500 . ?
C90 C91 1.375(13) . ?
C90 H90 0.9500 . ?
C91 H91 0.9500 . ?
O19 C92 1.261(8) . ?
O20 C92 1.256(8) . ?
C92 C93 1.504(9) . ?
C93 C94 1.380(10) . ?
C93 C98 1.402(9) . ?
C94 C95 1.379(11) . ?
C94 H94 0.9500 . ?
C95 C96 1.393(11) . ?
C95 H95 0.9500 . ?
C96 C97 1.360(12) . ?
C96 H96 0.9500 . ?
C97 C98 1.408(11) . ?
C97 H97 0.9500 . ?
C98 C99 1.496(10) . ?
C99 C100 1.374(11) . ?
C99 C104 1.405(11) . ?
C100 C101 1.399(13) . ?
C100 H100 0.9500 . ?
C101 C102 1.389(16) . ?
C101 H101 0.9500 . ?
C102 C103 1.365(18) . ?
C102 H102 0.9500 . ?
C103 C104 1.401(14) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
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
Pb7 O6 C1 O5 -69.1(13) 1_455 . . . ?
Pb7 O6 C1 C2 104.3(9) 1_455 . . . ?
Pb1 O5 C1 O6 -20.0(13) . . . . ?
Pb1 O5 C1 C2 166.3(7) . . . . ?
O6 C1 C2 C3 -71.6(14) . . . . ?
O5 C1 C2 C3 102.2(11) . . . . ?
O6 C1 C2 C7 112.6(11) . . . . ?
O5 C1 C2 C7 -73.5(12) . . . . ?
C7 C2 C3 C4 0.1(18) . . . . ?
C1 C2 C3 C4 -175.5(12) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
C3 C4 C5 C6 -5(3) . . . . ?
C4 C5 C6 C7 4(2) . . . . ?
C3 C2 C7 C6 -0.2(14) . . . . ?
C1 C2 C7 C6 175.4(9) . . . . ?
C3 C2 C7 C8 179.4(10) . . . . ?
C1 C2 C7 C8 -4.9(13) . . . . ?
C5 C6 C7 C2 -2.1(17) . . . . ?
C5 C6 C7 C8 178.3(12) . . . . ?
C2 C7 C8 C13 135.2(10) . . . . ?
C6 C7 C8 C13 -45.1(13) . . . . ?
C2 C7 C8 C9 -45.6(13) . . . . ?
C6 C7 C8 C9 134.0(11) . . . . ?
C13 C8 C9 C10 -2.7(16) . . . . ?
C7 C8 C9 C10 178.1(11) . . . . ?
C8 C9 C10 C11 2(2) . . . . ?
C9 C10 C11 C12 -1(2) . . . . ?
C10 C11 C12 C13 0(2) . . . . ?
C11 C12 C13 C8 -1(2) . . . . ?
C9 C8 C13 C12 2.1(16) . . . . ?
C7 C8 C13 C12 -178.7(10) . . . . ?
Pb8 O8 C14 O7 -16(2) 1_455 . . . ?
Pb8 O8 C14 C15 168.7(10) 1_455 . . . ?
Pb2 O7 C14 O8 -31.7(16) . . . . ?
Pb2 O7 C14 C15 143.8(9) . . . . ?
O8 C14 C15 C16 37.8(17) . . . . ?
O7 C14 C15 C16 -138.0(13) . . . . ?
O8 C14 C15 C20 -144.0(13) . . . . ?
O7 C14 C15 C20 40.2(18) . . . . ?
C20 C15 C16 C17 -2(2) . . . . ?
C14 C15 C16 C17 176.7(12) . . . . ?
C15 C16 C17 C18 0(2) . . . . ?
C16 C17 C18 C19 1(2) . . . . ?
C17 C18 C19 C20 0(2) . . . . ?
C16 C15 C20 C19 3(2) . . . . ?
C14 C15 C20 C19 -175.7(13) . . . . ?
C16 C15 C20 C21 -173.1(12) . . . . ?
C14 C15 C20 C21 8.7(19) . . . . ?
C18 C19 C20 C15 -2(2) . . . . ?
C18 C19 C20 C21 174.0(14) . . . . ?
C15 C20 C21 C26 -137.0(14) . . . . ?
C19 C20 C21 C26 47.3(19) . . . . ?
C15 C20 C21 C22 46.7(19) . . . . ?
C19 C20 C21 C22 -129.0(15) . . . . ?
C26 C21 C22 C23 1(2) . . . . ?
C20 C21 C22 C23 177.1(13) . . . . ?
C21 C22 C23 C24 -2(2) . . . . ?
C22 C23 C24 C25 1(3) . . . . ?
C23 C24 C25 C26 0(3) . . . . ?
C22 C21 C26 C25 1(2) . . . . ?
C20 C21 C26 C25 -175.3(13) . . . . ?
C24 C25 C26 C21 -2(2) . . . . ?
Pb1 O8B C14B O7B 26(4) . . . . ?
Pb1 O8B C14B C15B -160.1(19) . . . . ?
Pb2 O7B C14B O8B 37(4) . . . . ?
Pb2 O7B C14B C15B -137(2) . . . . ?
O8B C14B C15B C16B -34(4) . . . . ?
O7B C14B C15B C16B 140(3) . . . . ?
O8B C14B C15B C20B 144(3) . . . . ?
O7B C14B C15B C20B -41(5) . . . . ?
C20B C15B C16B C17B 10(6) . . . . ?
C14B C15B C16B C17B -172(3) . . . . ?
C15B C16B C17B C18B -8(6) . . . . ?
C16B C17B C18B C19B 1(7) . . . . ?
C17B C18B C19B C20B 5(7) . . . . ?
C16B C15B C20B C19B -4(5) . . . . ?
C14B C15B C20B C19B 177(3) . . . . ?
C16B C15B C20B C21B 163(3) . . . . ?
C14B C15B C20B C21B -15(5) . . . . ?
C18B C19B C20B C15B -3(6) . . . . ?
C18B C19B C20B C21B -171(4) . . . . ?
C15B C20B C21B C22B -42(5) . . . . ?
C19B C20B C21B C22B 125(3) . . . . ?
C15B C20B C21B C26B 141(3) . . . . ?
C19B C20B C21B C26B -52(4) . . . . ?
C26B C21B C22B C23B -1(5) . . . . ?
C20B C21B C22B C23B -178(3) . . . . ?
C21B C22B C23B C24B -4(5) . . . . ?
C22B C23B C24B C25B 16(4) . . . . ?
C23B C24B C25B C26B -29(5) . . . . ?
C24B C25B C26B C21B 26(6) . . . . ?
C22B C21B C26B C25B -6(4) . . . . ?
C20B C21B C26B C25B 170(3) . . . . ?
Pb3 O9 C27 O10 -16.6(8) . . . . ?
Pb3 O9 C27 C28 166.4(5) . . . . ?
Pb7 O10 C27 O9 -153.5(8) 1_455 . . . ?
Pb3 O10 C27 O9 14.5(7) . . . . ?
Pb7 O10 C27 C28 23.5(14) 1_455 . . . ?
Pb3 O10 C27 C28 -168.5(6) . . . . ?
O9 C27 C28 C29 45.0(10) . . . . ?
O10 C27 C28 C29 -132.1(8) . . . . ?
O9 C27 C28 C33 -138.0(7) . . . . ?
O10 C27 C28 C33 44.9(10) . . . . ?
C33 C28 C29 C30 -2.9(12) . . . . ?
C27 C28 C29 C30 174.2(7) . . . . ?
C28 C29 C30 C31 1.6(14) . . . . ?
C29 C30 C31 C32 0.7(14) . . . . ?
C30 C31 C32 C33 -1.8(13) . . . . ?
C31 C32 C33 C28 0.5(11) . . . . ?
C31 C32 C33 C34 176.5(8) . . . . ?
C29 C28 C33 C32 1.9(11) . . . . ?
C27 C28 C33 C32 -175.1(7) . . . . ?
C29 C28 C33 C34 -174.1(7) . . . . ?
C27 C28 C33 C34 9.0(11) . . . . ?
C32 C33 C34 C35 -129.7(8) . . . . ?
C28 C33 C34 C35 46.2(11) . . . . ?
C32 C33 C34 C39 48.3(11) . . . . ?
C28 C33 C34 C39 -135.8(8) . . . . ?
C39 C34 C35 C36 0.2(13) . . . . ?
C33 C34 C35 C36 178.3(9) . . . . ?
C34 C35 C36 C37 -1.2(17) . . . . ?
C35 C36 C37 C38 1.4(19) . . . . ?
C36 C37 C38 C39 -0.6(19) . . . . ?
C37 C38 C39 C34 -0.5(16) . . . . ?
C35 C34 C39 C38 0.6(13) . . . . ?
C33 C34 C39 C38 -177.4(8) . . . . ?
Pb1 O12 C40 O11 -52.9(11) . . . . ?
Pb1 O12 C40 C41 130.5(6) . . . . ?
Pb4 O11 C40 O12 -25.4(9) . . . . ?
Pb4 O11 C40 C41 151.2(6) . . . . ?
O12 C40 C41 C42 33.6(11) . . . . ?
O11 C40 C41 C42 -143.1(9) . . . . ?
O12 C40 C41 C46 -151.7(9) . . . . ?
O11 C40 C41 C46 31.5(12) . . . . ?
C46 C41 C42 C43 -1.0(17) . . . . ?
C40 C41 C42 C43 173.9(11) . . . . ?
C41 C42 C43 C44 0(2) . . . . ?
C42 C43 C44 C45 3(3) . . . . ?
C43 C44 C45 C46 -4(2) . . . . ?
C44 C45 C46 C41 2.3(18) . . . . ?
C44 C45 C46 C47 176.9(12) . . . . ?
C42 C41 C46 C45 0.0(15) . . . . ?
C40 C41 C46 C45 -174.5(9) . . . . ?
C42 C41 C46 C47 -174.2(9) . . . . ?
C40 C41 C46 C47 11.3(14) . . . . ?
C45 C46 C47 C48 -121.5(10) . . . . ?
C41 C46 C47 C48 52.8(12) . . . . ?
C45 C46 C47 C52 57.0(13) . . . . ?
C41 C46 C47 C52 -128.6(10) . . . . ?
C52 C47 C48 C49 -2.6(12) . . . . ?
C46 C47 C48 C49 175.9(8) . . . . ?
C47 C48 C49 C50 2.9(12) . . . . ?
C48 C49 C50 C51 -1.1(14) . . . . ?
C49 C50 C51 C52 -0.9(16) . . . . ?
C50 C51 C52 C47 1.1(16) . . . . ?
C48 C47 C52 C51 0.6(13) . . . . ?
C46 C47 C52 C51 -178.0(9) . . . . ?
Pb3 O14 C53 O13 22.1(16) . . . . ?
Pb3 O14 C53 C54 -157.0(7) . . . . ?
Pb5 O13 C53 O14 -43.2(15) . . . . ?
Pb5 O13 C53 C54 135.9(8) . . . . ?
O14 C53 C54 C55 121.4(10) . . . . ?
O13 C53 C54 C55 -57.7(12) . . . . ?
O14 C53 C54 C59 -52.7(12) . . . . ?
O13 C53 C54 C59 128.1(9) . . . . ?
C59 C54 C55 C56 3.5(12) . . . . ?
C53 C54 C55 C56 -170.7(8) . . . . ?
C54 C55 C56 C57 -1.7(15) . . . . ?
C55 C56 C57 C58 -1.8(17) . . . . ?
C56 C57 C58 C59 3.6(16) . . . . ?
C57 C58 C59 C54 -1.7(14) . . . . ?
C57 C58 C59 C60 -177.5(9) . . . . ?
C55 C54 C59 C58 -1.9(12) . . . . ?
C53 C54 C59 C58 172.3(8) . . . . ?
C55 C54 C59 C60 173.8(8) . . . . ?
C53 C54 C59 C60 -12.1(11) . . . . ?
C58 C59 C60 C65 -45.5(12) . . . . ?
C54 C59 C60 C65 138.9(9) . . . . ?
C58 C59 C60 C61 133.6(9) . . . . ?
C54 C59 C60 C61 -42.0(11) . . . . ?
C65 C60 C61 C62 0.2(14) . . . . ?
C59 C60 C61 C62 -179.0(8) . . . . ?
C60 C61 C62 C63 -1.0(15) . . . . ?
C61 C62 C63 C64 2.0(17) . . . . ?
C62 C63 C64 C65 -2.1(18) . . . . ?
C61 C60 C65 C64 -0.3(14) . . . . ?
C59 C60 C65 C64 178.8(9) . . . . ?
C63 C64 C65 C60 1.3(16) . . . . ?
Pb8 O16 C66 O15 -29(3) . . . . ?
Pb8 O16 C66 C67 158.1(13) . . . . ?
Pb5 O15 C66 O16 -56(3) . . . . ?
Pb5 O15 C66 C67 116.9(15) . . . . ?
O16 C66 C67 C68 133(2) . . . . ?
O15 C66 C67 C68 -40(3) . . . . ?
O16 C66 C67 C72 -53(3) . . . . ?
O15 C66 C67 C72 134(2) . . . . ?
C72 C67 C68 C69 5(3) . . . . ?
C66 C67 C68 C69 179.1(17) . . . . ?
C67 C68 C69 C70 2(3) . . . . ?
C68 C69 C70 C71 -7(3) . . . . ?
C69 C70 C71 C72 5(4) . . . . ?
C68 C67 C72 C71 -6(3) . . . . ?
C66 C67 C72 C71 179.4(17) . . . . ?
C68 C67 C72 C73 166.6(16) . . . . ?
C66 C67 C72 C73 -8(3) . . . . ?
C70 C71 C72 C67 1(3) . . . . ?
C70 C71 C72 C73 -171.7(19) . . . . ?
C67 C72 C73 C74 -44(2) . . . . ?
C71 C72 C73 C74 129.0(16) . . . . ?
C67 C72 C73 C78 138.4(14) . . . . ?
C71 C72 C73 C78 -49(2) . . . . ?
C78 C73 C74 C75 0.0 . . . . ?
C72 C73 C74 C75 -177.7(12) . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C74 C75 C76 C77 0.0 . . . . ?
C75 C76 C77 C78 0.0 . . . . ?
C76 C77 C78 C73 0.0 . . . . ?
C74 C73 C78 C77 0.0 . . . . ?
C72 C73 C78 C77 177.6(13) . . . . ?
Pb8B O16B C66B O15B -3(7) . . . . ?
Pb8B O16B C66B C67B -172(3) . . . . ?
Pb5 O15B C66B O16B -88(6) . . . . ?
Pb5 O15B C66B C67B 81(5) . . . . ?
O16B C66B C67B C68B 150(5) . . . . ?
O15B C66B C67B C68B -19(8) . . . . ?
O16B C66B C67B C72B -34(7) . . . . ?
O15B C66B C67B C72B 157(6) . . . . ?
C72B C67B C68B C69B 3(7) . . . . ?
C66B C67B C68B C69B 180(4) . . . . ?
C67B C68B C69B C70B -6(8) . . . . ?
C68B C69B C70B C71B 3(8) . . . . ?
C69B C70B C71B C72B 2(8) . . . . ?
C68B C67B C72B C71B 2(7) . . . . ?
C66B C67B C72B C71B -175(4) . . . . ?
C68B C67B C72B C73B 169(4) . . . . ?
C66B C67B C72B C73B -7(6) . . . . ?
C70B C71B C72B C67B -4(8) . . . . ?
C70B C71B C72B C73B -173(5) . . . . ?
C67B C72B C73B C78B 99(5) . . . . ?
C71B C72B C73B C78B -93(5) . . . . ?
C67B C72B C73B C74B -97(5) . . . . ?
C71B C72B C73B C74B 71(6) . . . . ?
C78B C73B C74B C75B -13(8) . . . . ?
C72B C73B C74B C75B -177(5) . . . . ?
C73B C74B C75B C76B 8(9) . . . . ?
C74B C75B C76B C77B 0(9) . . . . ?
C75B C76B C77B C78B -3(9) . . . . ?
C76B C77B C78B C73B -2(9) . . . . ?
C74B C73B C78B C77B 10(8) . . . . ?
C72B C73B C78B C77B 175(5) . . . . ?
Pb4 O18 C79 O17 -65.2(10) . . . . ?
Pb4 O18 C79 C80 112.7(7) . . . . ?
Pb6 O17 C79 O18 -25.3(9) . . . . ?
Pb6 O17 C79 C80 156.9(6) . . . . ?
O18 C79 C80 C81 -48.5(10) . . . . ?
O17 C79 C80 C81 129.4(8) . . . . ?
O18 C79 C80 C85 132.7(8) . . . . ?
O17 C79 C80 C85 -49.4(10) . . . . ?
C85 C80 C81 C82 1.7(12) . . . . ?
C79 C80 C81 C82 -177.1(8) . . . . ?
C80 C81 C82 C83 -0.5(13) . . . . ?
C81 C82 C83 C84 -0.1(13) . . . . ?
C82 C83 C84 C85 -0.6(13) . . . . ?
C83 C84 C85 C80 1.7(11) . . . . ?
C83 C84 C85 C86 -172.0(7) . . . . ?
C81 C80 C85 C84 -2.3(10) . . . . ?
C79 C80 C85 C84 176.5(7) . . . . ?
C81 C80 C85 C86 171.2(7) . . . . ?
C79 C80 C85 C86 -10.0(10) . . . . ?
C84 C85 C86 C91 -44.2(10) . . . . ?
C80 C85 C86 C91 142.4(7) . . . . ?
C84 C85 C86 C87 131.5(7) . . . . ?
C80 C85 C86 C87 -41.9(10) . . . . ?
C91 C86 C87 C88 0.3(12) . . . . ?
C85 C86 C87 C88 -175.5(7) . . . . ?
C86 C87 C88 C89 -0.4(13) . . . . ?
C87 C88 C89 C90 -0.5(13) . . . . ?
C88 C89 C90 C91 1.5(14) . . . . ?
C89 C90 C91 C86 -1.6(13) . . . . ?
C87 C86 C91 C90 0.7(12) . . . . ?
C85 C86 C91 C90 176.4(8) . . . . ?
Pb7 O19 C92 O20 -18.8(8) . . . . ?
Pb7 O19 C92 C93 158.8(6) . . . . ?
O20 C92 C93 C94 22.3(10) . . . . ?
O19 C92 C93 C94 -155.4(7) . . . . ?
O20 C92 C93 C98 -163.3(7) . . . . ?
O19 C92 C93 C98 19.0(11) . . . . ?
C98 C93 C94 C95 0.5(12) . . . . ?
C92 C93 C94 C95 175.2(7) . . . . ?
C93 C94 C95 C96 -0.8(13) . . . . ?
C94 C95 C96 C97 0.5(14) . . . . ?
C95 C96 C97 C98 0.0(14) . . . . ?
C94 C93 C98 C97 0.0(11) . . . . ?
C92 C93 C98 C97 -174.3(7) . . . . ?
C94 C93 C98 C99 -178.1(7) . . . . ?
C92 C93 C98 C99 7.5(12) . . . . ?
C96 C97 C98 C93 -0.3(12) . . . . ?
C96 C97 C98 C99 178.0(8) . . . . ?
C93 C98 C99 C100 55.8(11) . . . . ?
C97 C98 C99 C100 -122.3(9) . . . . ?
C93 C98 C99 C104 -127.8(8) . . . . ?
C97 C98 C99 C104 54.0(10) . . . . ?
C104 C99 C100 C101 0.6(12) . . . . ?
C98 C99 C100 C101 176.8(8) . . . . ?
C99 C100 C101 C102 1.5(14) . . . . ?
C100 C101 C102 C103 -2.0(14) . . . . ?
C101 C102 C103 C104 0.4(14) . . . . ?
C102 C103 C104 C99 1.7(13) . . . . ?
C100 C99 C104 C103 -2.1(12) . . . . ?
C98 C99 C104 C103 -178.5(7) . . . . ?
