#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:25:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180434 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/03/7210380.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_7210380
loop_
_publ_author_name
'Du, Peng'
'Yang, Yan'
'Yang, Jin'
'Liu, Ying-Ying'
'Kan, Wei-Qiu'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of MOFs based on a tricarboxylic acid and various N-donor
 ligands: syntheses, structures, and properties
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6986
_journal_paper_doi               10.1039/c3ce40828k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C88 H74 O40 Pb7'
_chemical_formula_sum            'C88 H74 O40 Pb7'
_chemical_formula_weight         3221.91
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                95.211(3)
_cell_angle_beta                 91.367(3)
_cell_angle_gamma                111.342(3)
_cell_formula_units_Z            1
_cell_length_a                   11.1595(4)
_cell_length_b                   12.9301(4)
_cell_length_c                   16.9715(7)
_cell_measurement_reflns_used    5361
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1371
_cell_measurement_theta_min      3.0115
_cell_volume                     2267.24(15)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0546
_diffrn_reflns_av_sigmaI/netI    0.0773
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16692
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    13.040
_exptl_absorpt_correction_T_max  0.1070
_exptl_absorpt_correction_T_min  0.0830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.31
_refine_diff_density_max         2.025
_refine_diff_density_min         -2.247
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         7999
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0540
_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)+(0.0693P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1436
_reflns_number_gt                5930
_reflns_number_total             7999
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3ce40828k.txt
_cod_data_source_block           Compound-5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2267.24(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7210380
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
Pb1 Pb 0.0000 0.0000 1.0000 0.04190(19) Uani 1 2 d SU
Pb2 Pb -0.30661(4) 0.05530(4) 0.95355(3) 0.04085(16) Uani 1 1 d D
Pb3 Pb -0.00486(4) 0.31322(4) 0.97757(3) 0.04792(17) Uani 1 1 d D
Pb4 Pb 0.10468(5) 0.56813(5) 0.61037(4) 0.0745(2) Uani 1 1 d .
C1 C -0.0027(13) 0.0935(12) 0.7502(7) 0.052(3) Uani 1 1 d .
C2 C 0.0371(13) 0.0228(12) 0.7015(8) 0.058(4) Uani 1 1 d .
H2 H 0.0246 -0.0482 0.7154 0.070 Uiso 1 1 calc R
C3 C 0.0941(14) 0.0544(12) 0.6338(8) 0.057(4) Uani 1 1 d .
C4 C 0.1138(12) 0.1600(11) 0.6121(8) 0.053(3) Uani 1 1 d .
H4 H 0.1548 0.1828 0.5662 0.063 Uiso 1 1 calc R
C5 C 0.0714(12) 0.2312(11) 0.6600(8) 0.049(3) Uani 1 1 d .
C6 C 0.0140(12) 0.1962(12) 0.7285(8) 0.054(4) Uani 1 1 d .
H6 H -0.0141 0.2439 0.7608 0.065 Uiso 1 1 calc R
C7 C -0.0627(14) 0.0562(13) 0.8282(8) 0.061(4) Uani 1 1 d .
C8 C 0.0870(13) 0.3432(13) 0.6357(10) 0.060(4) Uani 1 1 d .
C9 C 0.2379(15) 0.0195(10) 0.5407(9) 0.062(4) Uani 1 1 d .
H9A H 0.3087 0.0801 0.5697 0.074 Uiso 1 1 calc R
H9B H 0.2108 0.0472 0.4949 0.074 Uiso 1 1 calc R
C10 C 0.2797(13) -0.0761(11) 0.5148(8) 0.053(3) Uani 1 1 d .
C11 C 0.3594(16) -0.1055(13) 0.5649(10) 0.072(5) Uani 1 1 d .
H11 H 0.3884 -0.0660 0.6146 0.086 Uiso 1 1 calc R
C12 C 0.3951(15) -0.1947(13) 0.5397(10) 0.074(5) Uani 1 1 d .
H12 H 0.4502 -0.2137 0.5724 0.089 Uiso 1 1 calc R
C13 C 0.3492(12) -0.2567(10) 0.4659(9) 0.056(4) Uani 1 1 d .
C14 C 0.2662(13) -0.2298(10) 0.4195(9) 0.054(4) Uani 1 1 d .
H14 H 0.2315 -0.2725 0.3715 0.064 Uiso 1 1 calc R
C15 C 0.2324(12) -0.1366(10) 0.4443(7) 0.046(3) Uani 1 1 d .
H15 H 0.1775 -0.1172 0.4118 0.055 Uiso 1 1 calc R
C16 C 0.3906(14) -0.3520(12) 0.4410(12) 0.080(5) Uani 1 1 d .
C17 C 0.526(3) -0.336(2) 0.4755(19) 0.055(7) Uiso 0.50 1 d P
C17' C 0.517(3) -0.329(2) 0.4311(18) 0.048(6) Uiso 0.50 1 d P
C18 C 0.570(3) -0.420(3) 0.446(2) 0.070(9) Uiso 0.50 1 d P
C18' C 0.574(3) -0.403(3) 0.400(2) 0.061(8) Uiso 0.50 1 d P
C19 C 0.494(3) -0.515(3) 0.398(2) 0.073(9) Uiso 0.50 1 d P
C19' C 0.485(3) -0.503(3) 0.351(2) 0.068(8) Uiso 0.50 1 d P
C20 C 0.363(3) -0.537(3) 0.392(2) 0.075(9) Uiso 0.50 1 d P
C20' C 0.355(2) -0.525(2) 0.3477(17) 0.045(6) Uiso 0.50 1 d P
C21 C 0.3094(14) -0.4519(12) 0.4000(12) 0.084(6) Uani 1 1 d .
C22 C 0.1680(14) -0.4843(12) 0.3908(13) 0.080(6) Uani 1 1 d .
C23 C -0.3772(10) 0.3537(9) 1.0301(7) 0.034(3) Uani 1 1 d .
C24 C -0.4937(10) 0.2713(10) 1.0034(7) 0.041(3) Uani 1 1 d .
H24 H -0.4960 0.2091 0.9703 0.050 Uiso 1 1 calc R
C25 C -0.6071(10) 0.2821(10) 1.0265(8) 0.044(3) Uani 1 1 d .
C26 C -0.6048(11) 0.3758(10) 1.0717(7) 0.042(3) Uani 1 1 d .
H26 H -0.6816 0.3843 1.0842 0.051 Uiso 1 1 calc R
C27 C -0.4875(11) 0.4584(10) 1.0990(8) 0.046(3) Uani 1 1 d .
C28 C -0.3743(11) 0.4472(10) 1.0767(7) 0.043(3) Uani 1 1 d .
H28 H -0.2956 0.5033 1.0934 0.051 Uiso 1 1 calc R
C29 C -0.2523(11) 0.3442(10) 1.0028(8) 0.045(3) Uani 1 1 d .
C30 C -0.7359(11) 0.1920(10) 1.0010(7) 0.044(3) Uani 1 1 d .
C31 C -0.3936(15) 0.6336(13) 1.1748(12) 0.082(5) Uani 1 1 d .
H31A H -0.3303 0.6532 1.1350 0.098 Uiso 1 1 calc R
H31B H -0.3553 0.6134 1.2199 0.098 Uiso 1 1 calc R
C32 C -0.4315(14) 0.7356(13) 1.2009(9) 0.062(4) Uani 1 1 d .
C33 C -0.5587(16) 0.7189(12) 1.2071(9) 0.070(4) Uani 1 1 d .
H33 H -0.6206 0.6471 1.2034 0.084 Uiso 1 1 calc R
C34 C -0.5955(18) 0.8163(13) 1.2197(9) 0.076(5) Uani 1 1 d .
H34 H -0.6815 0.8081 1.2230 0.091 Uiso 1 1 calc R
C35 C -0.4985(14) 0.9215(11) 1.2267(7) 0.052(3) Uani 1 1 d .
C36 C -0.3682(15) 0.9314(12) 1.2222(8) 0.062(4) Uani 1 1 d .
H36 H -0.3028 1.0016 1.2293 0.074 Uiso 1 1 calc R
C37 C -0.3373(16) 0.8356(13) 1.2069(10) 0.078(5) Uani 1 1 d .
H37 H -0.2524 0.8420 1.2010 0.093 Uiso 1 1 calc R
C38 C -0.5333(10) 1.0228(10) 1.2367(7) 0.037(3) Uani 1 1 d .
C39 C -0.6294(14) 1.0275(11) 1.2868(8) 0.056(3) Uani 1 1 d .
H39 H -0.6712 0.9669 1.3145 0.067 Uiso 1 1 calc R
C40 C -0.6631(14) 1.1198(12) 1.2959(8) 0.061(4) Uani 1 1 d .
H40 H -0.7288 1.1205 1.3284 0.073 Uiso 1 1 calc R
C41 C -0.6008(13) 1.2093(12) 1.2577(8) 0.058(4) Uani 1 1 d .
H41 H -0.6236 1.2718 1.2641 0.069 Uiso 1 1 calc R
C42 C -0.5040(13) 1.2092(10) 1.2094(7) 0.049(3) Uani 1 1 d .
H42 H -0.4600 1.2726 1.1849 0.059 Uiso 1 1 calc R
C43 C -0.4712(11) 1.1159(10) 1.1967(7) 0.039(3) Uani 1 1 d .
C44 C -0.3731(11) 1.1198(12) 1.1364(7) 0.048(3) Uani 1 1 d .
O1 O -0.0996(10) 0.1256(10) 0.8669(6) 0.080(3) Uani 1 1 d U
O2 O -0.0642(9) -0.0324(8) 0.8495(5) 0.0567(12) Uani 1 1 d U
O3 O 0.0661(13) 0.4109(10) 0.6857(8) 0.097(4) Uani 1 1 d U
O4 O 0.1165(9) 0.3661(8) 0.5685(7) 0.064(3) Uani 1 1 d .
O5 O 0.1335(10) -0.0218(8) 0.5902(6) 0.069(3) Uani 1 1 d .
O6 O 0.1061(8) -0.4641(7) 0.4493(6) 0.061(3) Uani 1 1 d .
O7 O 0.1053(10) -0.5395(10) 0.3268(8) 0.096(4) Uani 1 1 d .
O8 O -0.1482(8) 0.4146(8) 1.0351(6) 0.063(3) Uani 1 1 d .
O9 O -0.2574(8) 0.2642(7) 0.9532(5) 0.055(2) Uani 1 1 d .
O10 O -0.8335(8) 0.2152(8) 0.9958(7) 0.074(3) Uani 1 1 d .
O11 O -0.7431(7) 0.0935(7) 0.9879(6) 0.054(2) Uani 1 1 d .
O12 O -0.4976(10) 0.5475(8) 1.1451(7) 0.081(4) Uani 1 1 d .
O13 O -0.4180(7) 1.0579(7) 1.0716(5) 0.048(2) Uani 1 1 d .
O14 O -0.265(2) 1.2017(18) 1.1387(13) 0.041(6) Uani 0.50 1 d PU
O14' O -0.257(2) 1.163(2) 1.1599(12) 0.043(6) Uani 0.50 1 d P
O2W O -0.134(3) 1.295(3) 1.2736(18) 0.125(10) Uani 0.50 1 d PU
O2W' O -0.169(2) 1.3784(18) 1.2296(12) 0.076(6) Uani 0.50 1 d PU
O3W O 0.0076(17) 0.2653(13) 0.4168(10) 0.151(6) Uani 1 1 d .
O4W O 0.1036(14) 0.2500(12) 1.2208(7) 0.102(4) Uani 1 1 d .
O5W O -0.0110(17) 0.5208(18) 1.1682(11) 0.060(6) Uani 0.50 1 d P
O5W' O 0.075(3) 0.590(2) 1.1707(14) 0.096(8) Uani 0.50 1 d P
O15 O -0.1134(7) 0.1496(7) 1.0291(5) 0.046(2) Uani 1 1 d D
H15O H -0.120(2) 0.151(2) 1.0790(7) 0.069 Uiso 1 1 d D
O1W O 0.0889(10) 0.3861(9) 1.1136(7) 0.076(3) Uani 1 1 d D
H1C H 0.025(9) 0.334(8) 1.1313(8) 0.114 Uiso 1 1 d D
H1D H 0.099(15) 0.452(4) 1.136(9) 0.114 Uiso 1 1 d 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'
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
O2 Pb1 O2 180.000(2) 2_557 .
O2 Pb1 O15 86.3(3) 2_557 .
O2 Pb1 O15 93.7(3) . .
O2 Pb1 O15 93.7(3) 2_557 2_557
O2 Pb1 O15 86.3(3) . 2_557
O15 Pb1 O15 180.000(2) . 2_557
O2 Pb1 O11 96.9(3) 2_557 2_457
O2 Pb1 O11 83.1(3) . 2_457
O15 Pb1 O11 66.3(2) . 2_457
O15 Pb1 O11 113.7(2) 2_557 2_457
O2 Pb1 O11 83.1(3) 2_557 1_655
O2 Pb1 O11 96.9(3) . 1_655
O15 Pb1 O11 113.7(2) . 1_655
O15 Pb1 O11 66.3(2) 2_557 1_655
O11 Pb1 O11 180.0(4) 2_457 1_655
O2 Pb1 O10 94.5(3) 2_557 2_457
O2 Pb1 O10 85.5(3) . 2_457
O15 Pb1 O10 112.7(3) . 2_457
O15 Pb1 O10 67.3(3) 2_557 2_457
O11 Pb1 O10 46.7(3) 2_457 2_457
O11 Pb1 O10 133.3(3) 1_655 2_457
O2 Pb1 O10 85.5(3) 2_557 1_655
O2 Pb1 O10 94.5(3) . 1_655
O15 Pb1 O10 67.3(3) . 1_655
O15 Pb1 O10 112.7(3) 2_557 1_655
O11 Pb1 O10 133.3(3) 2_457 1_655
O11 Pb1 O10 46.7(3) 1_655 1_655
O10 Pb1 O10 180.0(5) 2_457 1_655
O15 Pb2 O13 88.3(3) . 1_545
O15 Pb2 O11 75.6(3) . 2_457
O13 Pb2 O11 83.1(3) 1_545 2_457
O15 Pb2 O9 72.7(3) . .
O13 Pb2 O9 89.1(3) 1_545 .
O11 Pb2 O9 147.5(3) 2_457 .
O15 Pb2 O1 66.2(3) . .
O13 Pb2 O1 153.2(3) 1_545 .
O11 Pb2 O1 97.5(3) 2_457 .
O9 Pb2 O1 76.0(3) . .
O15 Pb3 O1W 86.0(3) . .
O15 Pb3 O8 94.8(3) . .
O1W Pb3 O8 75.7(3) . .
O15 Pb3 O9 71.2(3) . .
O1W Pb3 O9 116.8(3) . .
O8 Pb3 O9 50.0(2) . .
O15 Pb3 O10 74.1(3) . 1_655
O1W Pb3 O10 77.1(3) . 1_655
O8 Pb3 O10 151.2(3) . 1_655
O9 Pb3 O10 141.2(3) . 1_655
O6 Pb4 O3 84.7(4) 2_556 .
O6 Pb4 O2W 120.2(7) 2_556 2_577
O3 Pb4 O2W 95.0(9) . 2_577
O6 Pb4 O7 53.6(3) 2_556 2_556
O3 Pb4 O7 74.1(4) . 2_556
O2W Pb4 O7 68.9(7) 2_577 2_556
O6 Pb4 O4 77.6(3) 2_556 .
O3 Pb4 O4 49.8(3) . .
O2W Pb4 O4 141.2(9) 2_577 .
O7 Pb4 O4 108.2(4) 2_556 .
O6 Pb4 O6 68.2(3) 2_556 1_565
O3 Pb4 O6 119.0(3) . 1_565
O2W Pb4 O6 145.9(8) 2_577 1_565
O7 Pb4 O6 119.3(4) 2_556 1_565
O4 Pb4 O6 70.9(3) . 1_565
O6 Pb4 O2W' 126.0(5) 2_556 2_577
O3 Pb4 O2W' 64.8(6) . 2_577
O2W Pb4 O2W' 33.2(8) 2_577 2_577
O7 Pb4 O2W' 74.9(5) 2_556 2_577
O4 Pb4 O2W' 108.0(6) . 2_577
O6 Pb4 O2W' 165.6(5) 1_565 2_577
O6 Pb4 C22 26.7(4) 2_556 2_556
O3 Pb4 C22 79.2(5) . 2_556
O2W Pb4 C22 94.4(8) 2_577 2_556
O7 Pb4 C22 26.9(4) 2_556 2_556
O4 Pb4 C22 93.9(3) . 2_556
O6 Pb4 C22 93.5(5) 1_565 2_556
O2W' Pb4 C22 100.9(6) 2_577 2_556
C6 C1 C2 118.8(12) . .
C6 C1 C7 121.3(12) . .
C2 C1 C7 119.8(13) . .
C3 C2 C1 121.3(14) . .
C3 C2 H2 119.4 . .
C1 C2 H2 119.4 . .
C2 C3 O5 116.7(13) . .
C2 C3 C4 120.1(12) . .
O5 C3 C4 123.2(12) . .
C3 C4 C5 119.1(13) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
C6 C5 C4 119.2(13) . .
C6 C5 C8 121.1(11) . .
C4 C5 C8 119.7(12) . .
C1 C6 C5 121.4(11) . .
C1 C6 H6 119.3 . .
C5 C6 H6 119.3 . .
O2 C7 O1 126.1(13) . .
O2 C7 C1 119.2(12) . .
O1 C7 C1 114.6(14) . .
O4 C8 O3 122.0(16) . .
O4 C8 C5 120.6(11) . .
O3 C8 C5 117.4(15) . .
O5 C9 C10 107.3(10) . .
O5 C9 H9A 110.3 . .
C10 C9 H9A 110.3 . .
O5 C9 H9B 110.3 . .
C10 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
C15 C10 C11 120.6(12) . .
C15 C10 C9 119.0(14) . .
C11 C10 C9 120.3(13) . .
C12 C11 C10 118.9(13) . .
C12 C11 H11 120.5 . .
C10 C11 H11 120.5 . .
C11 C12 C13 121.1(15) . .
C11 C12 H12 119.5 . .
C13 C12 H12 119.5 . .
C14 C13 C12 118.9(12) . .
C14 C13 C16 121.8(14) . .
C12 C13 C16 119.2(15) . .
C13 C14 C15 120.0(12) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C10 C15 C14 120.3(13) . .
C10 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C17' C16 C21 113.9(15) . .
C17' C16 C13 118.2(16) . .
C21 C16 C13 123.6(13) . .
C17' C16 C17 30.2(14) . .
C21 C16 C17 122.5(15) . .
C13 C16 C17 113.3(15) . .
C17' C17 C18 84(4) . .
C17' C17 C16 61(3) . .
C18 C17 C16 113(2) . .
C17' C17 C18' 55(3) . .
C18 C17 C18' 29.3(16) . .
C16 C17 C18' 99(2) . .
C17 C17' C16 88(3) . .
C17 C17' C18' 98(4) . .
C16 C17' C18' 127(2) . .
C17 C17' C18 66(3) . .
C16 C17' C18 117(2) . .
C18' C17' C18 32.7(16) . .
C18' C18 C19 72(4) . .
C18' C18 C17 95(4) . .
C19 C18 C17 123(3) . .
C18' C18 C17' 65(3) . .
C19 C18 C17' 106(3) . .
C17 C18 C17' 30.2(15) . .
C18' C18 C19' 49(3) . .
C19 C18 C19' 24.1(19) . .
C17 C18 C19' 115(3) . .
C17' C18 C19' 90(2) . .
C18 C18' C19 73(4) . .
C18 C18' C17' 82(4) . .
C19 C18' C17' 113(3) . .
C18 C18' C19' 106(4) . .
C19 C18' C19' 34.1(18) . .
C17' C18' C19' 115(3) . .
C18 C18' C17 56(3) . .
C19 C18' C17 105(3) . .
C17' C18' C17 26.8(14) . .
C19' C18' C17 123(3) . .
C19' C19 C20 80(4) . .
C19' C19 C18 114(5) . .
C20 C19 C18 117(3) . .
C19' C19 C18' 79(4) . .
C20 C19 C18' 116(3) . .
C18 C19 C18' 35.0(18) . .
C19' C19 C20' 53(3) . .
C20 C19 C20' 27.0(17) . .
C18 C19 C20' 123(3) . .
C18' C19 C20' 105(3) . .
C19 C19' C20' 98(4) . .
C19 C19' C18' 67(4) . .
C20' C19' C18' 120(3) . .
C19 C19' C20 66(4) . .
C20' C19' C20 31.6(16) . .
C18' C19' C20 105(3) . .
C19 C19' C18 42(3) . .
C20' C19' C18 112(2) . .
C18' C19' C18 25.1(16) . .
C20 C19' C18 88(2) . .
C20' C20 C19 100(4) . .
C20' C20 C21 77(4) . .
C19 C20 C21 123(3) . .
C20' C20 C19' 66(4) . .
C19 C20 C19' 33.8(18) . .
C21 C20 C19' 113(3) . .
C20 C20' C19' 82(4) . .
C20 C20' C21 71(3) . .
C19' C20' C21 117(2) . .
C20 C20' C19 53(3) . .
C19' C20' C19 29.2(17) . .
C21 C20' C19 102(2) . .
C16 C21 C20 114.4(19) . .
C16 C21 C20' 123.8(15) . .
C20 C21 C20' 31.5(15) . .
C16 C21 C22 123.2(12) . .
C20 C21 C22 118.9(18) . .
C20' C21 C22 111.8(15) . .
O7 C22 O6 119.4(13) . .
O7 C22 C21 120.5(14) . .
O6 C22 C21 119.9(17) . .
O7 C22 Pb4 62.6(7) . 2_556
O6 C22 Pb4 56.9(7) . 2_556
C21 C22 Pb4 171.7(14) . 2_556
C28 C23 C24 120.1(10) . .
C28 C23 C29 120.1(10) . .
C24 C23 C29 119.6(10) . .
C23 C24 C25 119.3(10) . .
C23 C24 H24 120.3 . .
C25 C24 H24 120.3 . .
C26 C25 C24 120.7(11) . .
C26 C25 C30 118.5(10) . .
C24 C25 C30 120.8(11) . .
C25 C26 C27 119.9(10) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
O12 C27 C28 126.0(11) . .
O12 C27 C26 114.6(10) . .
C28 C27 C26 119.4(10) . .
C23 C28 C27 120.4(10) . .
C23 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
O9 C29 O8 123.2(10) . .
O9 C29 C23 119.3(10) . .
O8 C29 C23 117.4(10) . .
O10 C30 O11 120.5(11) . .
O10 C30 C25 120.3(10) . .
O11 C30 C25 119.1(10) . .
O12 C31 C32 109.9(12) . .
O12 C31 H31A 109.7 . .
C32 C31 H31A 109.7 . .
O12 C31 H31B 109.7 . .
C32 C31 H31B 109.7 . .
H31A C31 H31B 108.2 . .
C37 C32 C33 124.2(14) . .
C37 C32 C31 116.5(13) . .
C33 C32 C31 118.8(13) . .
C32 C33 C34 118.6(14) . .
C32 C33 H33 120.7 . .
C34 C33 H33 120.7 . .
C35 C34 C33 118.1(16) . .
C35 C34 H34 120.9 . .
C33 C34 H34 120.9 . .
C34 C35 C36 119.7(13) . .
C34 C35 C38 119.5(13) . .
C36 C35 C38 120.8(12) . .
C37 C36 C35 120.3(14) . .
C37 C36 H36 119.8 . .
C35 C36 H36 119.8 . .
C32 C37 C36 119.0(15) . .
C32 C37 H37 120.5 . .
C36 C37 H37 120.5 . .
C39 C38 C43 117.8(10) . .
C39 C38 C35 120.8(12) . .
C43 C38 C35 121.4(11) . .
C40 C39 C38 121.4(13) . .
C40 C39 H39 119.3 . .
C38 C39 H39 119.3 . .
C41 C40 C39 119.8(12) . .
C41 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C40 C41 C42 120.7(12) . .
C40 C41 H41 119.7 . .
C42 C41 H41 119.7 . .
C41 C42 C43 120.8(13) . .
C41 C42 H42 119.6 . .
C43 C42 H42 119.6 . .
C42 C43 C38 119.4(10) . .
C42 C43 C44 116.8(12) . .
C38 C43 C44 123.8(10) . .
O14' C44 O13 125.6(14) . .
O14' C44 O14 30.9(11) . .
O13 C44 O14 119.7(15) . .
O14' C44 C43 117.5(14) . .
O13 C44 C43 115.0(10) . .
O14 C44 C43 121.9(15) . .
C7 O1 Pb2 120.3(10) . .
C7 O2 Pb1 107.9(8) . .
C8 O3 Pb4 100.6(11) . .
C8 O4 Pb4 87.6(8) . .
C3 O5 C9 118.3(10) . .
C22 O6 Pb4 96.4(9) . 2_556
C22 O6 Pb4 145.4(11) . 1_545
Pb4 O6 Pb4 111.8(3) 2_556 1_545
C22 O7 Pb4 90.5(8) . 2_556
C29 O8 Pb3 95.4(7) . .
C29 O9 Pb2 136.8(9) . .
C29 O9 Pb3 90.9(6) . .
Pb2 O9 Pb3 92.1(3) . .
C30 O10 Pb3 166.2(9) . 1_455
C30 O10 Pb1 94.4(8) . 1_455
Pb3 O10 Pb1 99.2(3) 1_455 1_455
C30 O11 Pb2 143.3(9) . 2_457
C30 O11 Pb1 95.9(7) . 1_455
Pb2 O11 Pb1 95.3(3) 2_457 1_455
C31 O12 C27 121.5(11) . .
C44 O13 Pb2 126.9(8) . 1_565
O14' O14 C44 72(3) . .
O14 O14' C44 77(3) . .
O2W' O2W Pb4 84.4(14) . 2_577
O2W O2W' Pb4 62.4(12) . 2_577
Pb3 O15 Pb2 108.9(4) . .
Pb3 O15 Pb1 111.6(3) . .
Pb2 O15 Pb1 98.8(3) . .
Pb3 O15 H15O 118.8(15) . .
Pb2 O15 H15O 114.7(13) . .
Pb1 O15 H15O 102(3) . .
Pb3 O1W H1C 89.0(11) . .
Pb3 O1W H1D 124(10) . .
H1C O1W H1D 113(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O2 2.591(9) 2_557
Pb1 O2 2.591(9) .
Pb1 O15 2.688(8) .
Pb1 O15 2.688(8) 2_557
Pb1 O11 2.697(8) 2_457
Pb1 O11 2.697(8) 1_655
Pb1 O10 2.735(10) 2_457
Pb1 O10 2.735(10) 1_655
Pb2 O15 2.335(7) .
Pb2 O13 2.387(7) 1_545
Pb2 O11 2.468(9) 2_457
Pb2 O9 2.554(9) .
Pb2 O1 2.684(10) .
Pb3 O15 2.287(9) .
Pb3 O1W 2.466(10) .
Pb3 O8 2.569(8) .
Pb3 O9 2.667(8) .
Pb3 O10 2.677(9) 1_655
Pb4 O6 2.388(9) 2_556
Pb4 O3 2.412(13) .
Pb4 O2W 2.45(3) 2_577
Pb4 O7 2.515(10) 2_556
Pb4 O4 2.695(9) .
Pb4 O6 2.729(10) 1_565
Pb4 O2W' 2.75(2) 2_577
Pb4 C22 2.833(14) 2_556
C1 C6 1.36(2) .
C1 C2 1.377(17) .
C1 C7 1.535(19) .
C2 C3 1.349(19) .
C2 H2 0.9300 .
C3 O5 1.383(14) .
C3 C4 1.387(19) .
C4 C5 1.389(15) .
C4 H4 0.9300 .
C5 C6 1.374(19) .
C5 C8 1.49(2) .
C6 H6 0.9300 .
C7 O2 1.226(17) .
C7 O1 1.257(16) .
C8 O4 1.226(18) .
C8 O3 1.250(15) .
C9 O5 1.422(15) .
C9 C10 1.507(17) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C15 1.350(17) .
C10 C11 1.39(2) .
C11 C12 1.39(2) .
C11 H11 0.9300 .
C12 C13 1.40(2) .
C12 H12 0.9300 .
C13 C14 1.360(19) .
C13 C16 1.496(17) .
C14 C15 1.420(16) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17' 1.35(3) .
C16 C21 1.39(2) .
C16 C17 1.54(3) .
C17 C17' 0.77(3) .
C17 C18 1.41(4) .
C17 C18' 1.70(4) .
C17' C18' 1.40(4) .
C17' C18 1.53(4) .
C18 C18' 0.83(4) .
C18 C19 1.39(4) .
C18 C19' 1.89(5) .
C18' C19 1.39(4) .
C18' C19' 1.48(4) .
C19 C19' 0.84(4) .
C19 C20 1.38(4) .
C19 C20' 1.71(4) .
C19' C20' 1.38(4) .
C19' C20 1.49(5) .
C20 C20' 0.79(4) .
C20 C21 1.43(4) .
C20' C21 1.47(3) .
C21 C22 1.48(2) .
C22 O7 1.28(2) .
C22 O6 1.283(18) .
C22 Pb4 2.833(14) 2_556
C23 C28 1.374(15) .
C23 C24 1.381(15) .
C23 C29 1.522(14) .
C24 C25 1.385(15) .
C24 H24 0.9300 .
C25 C26 1.365(15) .
C25 C30 1.506(16) .
C26 C27 1.391(16) .
C26 H26 0.9300 .
C27 O12 1.373(13) .
C27 C28 1.380(15) .
C28 H28 0.9300 .
C29 O9 1.256(13) .
C29 O8 1.260(14) .
C30 O10 1.234(13) .
C30 O11 1.246(13) .
C31 O12 1.331(17) .
C31 C32 1.56(2) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C37 1.33(2) .
C32 C33 1.364(19) .
C33 C34 1.46(2) .
C33 H33 0.9300 .
C34 C35 1.39(2) .
C34 H34 0.9300 .
C35 C36 1.418(18) .
C35 C38 1.493(16) .
C36 C37 1.406(18) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C39 1.399(17) .
C38 C43 1.398(17) .
C39 C40 1.373(18) .
C39 H39 0.9300 .
C40 C41 1.35(2) .
C40 H40 0.9300 .
C41 C42 1.371(17) .
C41 H41 0.9300 .
C42 C43 1.383(16) .
C42 H42 0.9300 .
C43 C44 1.506(16) .
C44 O14' 1.25(2) .
C44 O13 1.275(14) .
C44 O14 1.28(3) .
O6 Pb4 2.388(9) 2_556
O6 Pb4 2.729(10) 1_545
O7 Pb4 2.515(10) 2_556
O10 Pb3 2.677(9) 1_455
O10 Pb1 2.735(10) 1_455
O11 Pb2 2.468(9) 2_457
O11 Pb1 2.697(8) 1_455
O13 Pb2 2.387(7) 1_565
O14 O14' 0.68(2) .
O2W O2W' 1.52(4) .
O2W Pb4 2.45(3) 2_577
O2W' Pb4 2.75(2) 2_577
O5W O5W' 1.04(3) .
O15 H15O 0.850(10) .
O1W H1C 0.87(2) .
O1W H1D 0.87(2) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1W H1D O5W 0.87(2) 1.83(11) 2.51(2) 134(14)
O1W H1D O5W' 0.87(2) 1.94(6) 2.78(2) 164(17)
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_4
C6 C1 C2 C3 1(2) . .
C7 C1 C2 C3 -177.8(14) . .
C1 C2 C3 O5 178.4(12) . .
C1 C2 C3 C4 0(2) . .
C2 C3 C4 C5 -1(2) . .
O5 C3 C4 C5 -179.6(12) . .
C3 C4 C5 C6 2(2) . .
C3 C4 C5 C8 -177.4(13) . .
C2 C1 C6 C5 -1(2) . .
C7 C1 C6 C5 177.9(12) . .
C4 C5 C6 C1 0(2) . .
C8 C5 C6 C1 178.7(12) . .
C6 C1 C7 O2 -172.7(13) . .
C2 C1 C7 O2 6(2) . .
C6 C1 C7 O1 3(2) . .
C2 C1 C7 O1 -177.8(13) . .
C6 C5 C8 O4 -166.8(13) . .
C4 C5 C8 O4 12(2) . .
C6 C5 C8 O3 12(2) . .
C4 C5 C8 O3 -169.3(13) . .
O5 C9 C10 C15 95.5(15) . .
O5 C9 C10 C11 -80.7(17) . .
C15 C10 C11 C12 3(2) . .
C9 C10 C11 C12 179.3(14) . .
C10 C11 C12 C13 -2(2) . .
C11 C12 C13 C14 -2(2) . .
C11 C12 C13 C16 179.8(15) . .
C12 C13 C14 C15 3(2) . .
C16 C13 C14 C15 -178.1(12) . .
C11 C10 C15 C14 -2(2) . .
C9 C10 C15 C14 -177.7(11) . .
C13 C14 C15 C10 -1.8(19) . .
C14 C13 C16 C17' 118(2) . .
C12 C13 C16 C17' -63(3) . .
C14 C13 C16 C21 -37(3) . .
C12 C13 C16 C21 141.4(19) . .
C14 C13 C16 C17 151.3(19) . .
C12 C13 C16 C17 -30(2) . .
C21 C16 C17 C17' 82(4) . .
C13 C16 C17 C17' -106(4) . .
C17' C16 C17 C18 -68(4) . .
C21 C16 C17 C18 14(4) . .
C13 C16 C17 C18 -174(2) . .
C17' C16 C17 C18' -41(3) . .
C21 C16 C17 C18' 41(3) . .
C13 C16 C17 C18' -147.5(19) . .
C18 C17 C17' C16 121(2) . .
C18' C17 C17' C16 128(3) . .
C18 C17 C17' C18' -6(3) . .
C16 C17 C17' C18' -128(3) . .
C16 C17 C17' C18 -121(2) . .
C18' C17 C17' C18 6(3) . .
C21 C16 C17' C17 -114(4) . .
C13 C16 C17' C17 88(4) . .
C21 C16 C17' C18' -15(4) . .
C13 C16 C17' C18' -172(3) . .
C17 C16 C17' C18' 99(5) . .
C21 C16 C17' C18 -52(3) . .
C13 C16 C17' C18 150(2) . .
C17 C16 C17' C18 62(4) . .
C17' C17 C18 C18' 11(5) . .
C16 C17 C18 C18' 66(4) . .
C17' C17 C18 C19 -61(5) . .
C16 C17 C18 C19 -6(5) . .
C18' C17 C18 C19 -72(4) . .
C16 C17 C18 C17' 55(3) . .
C18' C17 C18 C17' -11(5) . .
C17' C17 C18 C19' -35(4) . .
C16 C17 C18 C19' 20(4) . .
C18' C17 C18 C19' -46(3) . .
C17 C17' C18 C18' -168(5) . .
C16 C17' C18 C18' 117(4) . .
C17 C17' C18 C19 130(4) . .
C16 C17' C18 C19 56(4) . .
C18' C17' C18 C19 -62(4) . .
C16 C17' C18 C17 -75(4) . .
C18' C17' C18 C17 168(5) . .
C17 C17' C18 C19' 148(4) . .
C16 C17' C18 C19' 74(3) . .
C18' C17' C18 C19' -43(3) . .
C17 C18 C18' C19 -124(3) . .
C17' C18 C18' C19 -118(2) . .
C19' C18 C18' C19 -4(3) . .
C19 C18 C18' C17' 118(2) . .
C17 C18 C18' C17' -6(3) . .
C19' C18 C18' C17' 114(3) . .
C19 C18 C18' C19' 4(3) . .
C17 C18 C18' C19' -119(3) . .
C17' C18 C18' C19' -114(3) . .
C19 C18 C18' C17 124(3) . .
C17' C18 C18' C17 6(3) . .
C19' C18 C18' C17 119(3) . .
C17 C17' C18' C18 11(5) . .
C16 C17' C18' C18 -83(5) . .
C17 C17' C18' C19 78(5) . .
C16 C17' C18' C19 -16(5) . .
C18 C17' C18' C19 67(4) . .
C17 C17' C18' C19' 115(4) . .
C16 C17' C18' C19' 21(5) . .
C18 C17' C18' C19' 104(5) . .
C16 C17' C18' C17 -94(5) . .
C18 C17' C18' C17 -11(5) . .
C17' C17 C18' C18 -167(6) . .
C16 C17 C18' C18 -122(4) . .
C17' C17 C18' C19 -111(4) . .
C18 C17 C18' C19 56(4) . .
C16 C17 C18' C19 -66(3) . .
C18 C17 C18' C17' 167(6) . .
C16 C17 C18' C17' 45(3) . .
C17' C17 C18' C19' -79(5) . .
C18 C17 C18' C19' 88(5) . .
C16 C17 C18' C19' -34(4) . .
C18' C18 C19 C19' -7(5) . .
C17 C18 C19 C19' 77(6) . .
C17' C18 C19 C19' 50(5) . .
C18' C18 C19 C20 -98(5) . .
C17 C18 C19 C20 -14(6) . .
C17' C18 C19 C20 -41(5) . .
C19' C18 C19 C20 -91(5) . .
C17 C18 C19 C18' 84(5) . .
C17' C18 C19 C18' 57(3) . .
C19' C18 C19 C18' 7(5) . .
C18' C18 C19 C20' -68(4) . .
C17 C18 C19 C20' 17(6) . .
C17' C18 C19 C20' -11(5) . .
C19' C18 C19 C20' -60(4) . .
C18 C18' C19 C19' 173(5) . .
C17' C18' C19 C19' 100(4) . .
C17 C18' C19 C19' 127(4) . .
C18 C18' C19 C20 100(4) . .
C17' C18' C19 C20 27(5) . .
C19' C18' C19 C20 -73(4) . .
C17 C18' C19 C20 55(4) . .
C17' C18' C19 C18 -73(4) . .
C19' C18' C19 C18 -173(5) . .
C17 C18' C19 C18 -46(3) . .
C18 C18' C19 C20' 127(4) . .
C17' C18' C19 C20' 54(4) . .
C19' C18' C19 C20' -46(3) . .
C17 C18' C19 C20' 81(3) . .
C20 C19 C19' C20' 1(3) . .
C18 C19 C19' C20' -115(3) . .
C18' C19 C19' C20' -119(3) . .
C20 C19 C19' C18' 120(2) . .
C18 C19 C19' C18' 4(3) . .
C20' C19 C19' C18' 119(3) . .
C18 C19 C19' C20 -115(4) . .
C18' C19 C19' C20 -120(2) . .
C20' C19 C19' C20 -1(3) . .
C20 C19 C19' C18 115(4) . .
C18' C19 C19' C18 -4(3) . .
C20' C19 C19' C18 115(3) . .
C18 C18' C19' C19 -7(5) . .
C17' C18' C19' C19 -95(4) . .
C17 C18' C19' C19 -66(5) . .
C18 C18' C19' C20' 79(5) . .
C19 C18' C19' C20' 86(4) . .
C17' C18' C19' C20' -10(5) . .
C17 C18' C19' C20' 20(5) . .
C18 C18' C19' C20 48(5) . .
C19 C18' C19' C20 55(3) . .
C17' C18' C19' C20 -40(4) . .
C17 C18' C19' C20 -11(4) . .
C19 C18' C19' C18 7(5) . .
C17' C18' C19' C18 -88(4) . .
C17 C18' C19' C18 -59(4) . .
C18' C18 C19' C19 171(7) . .
C17 C18 C19' C19 -116(5) . .
C17' C18 C19' C19 -133(5) . .
C18' C18 C19' C20' -113(5) . .
C19 C18 C19' C20' 76(5) . .
C17 C18 C19' C20' -40(4) . .
C17' C18 C19' C20' -57(3) . .
C19 C18 C19' C18' -171(7) . .
C17 C18 C19' C18' 73(4) . .
C17' C18 C19' C18' 56(4) . .
C18' C18 C19' C20 -134(4) . .
C19 C18 C19' C20 56(4) . .
C17 C18 C19' C20 -60(3) . .
C17' C18 C19' C20 -77(3) . .
C19' C19 C20 C20' -1(5) . .
C18 C19 C20 C20' 111(5) . .
C18' C19 C20 C20' 71(5) . .
C19' C19 C20 C21 -82(5) . .
C18 C19 C20 C21 29(6) . .
C18' C19 C20 C21 -10(6) . .
C20' C19 C20 C21 -81(5) . .
C18 C19 C20 C19' 111(5) . .
C18' C19 C20 C19' 72(4) . .
C20' C19 C20 C19' 1(5) . .
C19 C19' C20 C20' 179(5) . .
C18' C19' C20 C20' 123(4) . .
C18 C19' C20 C20' 141(4) . .
C20' C19' C20 C19 -179(5) . .
C18' C19' C20 C19 -56(4) . .
C18 C19' C20 C19 -38(3) . .
C19 C19' C20 C21 116(4) . .
C20' C19' C20 C21 -63(4) . .
C18' C19' C20 C21 60(4) . .
C18 C19' C20 C21 78(3) . .
C19 C20 C20' C19' 1(3) . .
C21 C20 C20' C19' 122(2) . .
C19 C20 C20' C21 -122(3) . .
C19' C20 C20' C21 -122(2) . .
C21 C20 C20' C19 122(3) . .
C19' C20 C20' C19 -1(3) . .
C19 C19' C20' C20 -1(5) . .
C18' C19' C20' C20 -69(5) . .
C18 C19' C20' C20 -42(4) . .
C19 C19' C20' C21 63(5) . .
C18' C19' C20' C21 -5(5) . .
C20 C19' C20' C21 64(4) . .
C18 C19' C20' C21 22(4) . .
C18' C19' C20' C19 -68(4) . .
C20 C19' C20' C19 1(5) . .
C18 C19' C20' C19 -41(3) . .
C19' C19 C20' C20 179(6) . .
C18 C19 C20' C20 -85(5) . .
C18' C19 C20' C20 -118(5) . .
C20 C19 C20' C19' -179(6) . .
C18 C19 C20' C19' 96(5) . .
C18' C19 C20' C19' 63(4) . .
C19' C19 C20' C21 -126(4) . .
C20 C19 C20' C21 55(4) . .
C18 C19 C20' C21 -30(4) . .
C18' C19 C20' C21 -63(3) . .
C17' C16 C21 C20 32(3) . .
C13 C16 C21 C20 -172(2) . .
C17 C16 C21 C20 -1(3) . .
C17' C16 C21 C20' -2(3) . .
C13 C16 C21 C20' 154(2) . .
C17 C16 C21 C20' -35(3) . .
C17' C16 C21 C22 -169(2) . .
C13 C16 C21 C22 -13(3) . .
C17 C16 C21 C22 158(2) . .
C20' C20 C21 C16 -115(4) . .
C19 C20 C21 C16 -22(5) . .
C19' C20 C21 C16 -58(4) . .
C19 C20 C21 C20' 94(5) . .
C19' C20 C21 C20' 57(3) . .
C20' C20 C21 C22 85(4) . .
C19 C20 C21 C22 179(3) . .
C19' C20 C21 C22 142(3) . .
C20 C20' C21 C16 82(4) . .
C19' C20' C21 C16 12(4) . .
C19 C20' C21 C16 38(3) . .
C19' C20' C21 C20 -70(4) . .
C19 C20' C21 C20 -44(3) . .
C20 C20' C21 C22 -110(4) . .
C19' C20' C21 C22 180(3) . .
C19 C20' C21 C22 -154(2) . .
C16 C21 C22 O7 145(2) . .
C20 C21 C22 O7 -58(3) . .
C20' C21 C22 O7 -24(3) . .
C16 C21 C22 O6 -40(3) . .
C20 C21 C22 O6 117(2) . .
C20' C21 C22 O6 151.5(18) . .
C16 C21 C22 Pb4 -106(7) . 2_556
C20 C21 C22 Pb4 52(9) . 2_556
C20' C21 C22 Pb4 86(8) . 2_556
C28 C23 C24 C25 -2.3(19) . .
C29 C23 C24 C25 -178.0(11) . .
C23 C24 C25 C26 3.4(19) . .
C23 C24 C25 C30 -177.8(12) . .
C24 C25 C26 C27 -4(2) . .
C30 C25 C26 C27 177.3(12) . .
C25 C26 C27 O12 -178.8(12) . .
C25 C26 C27 C28 3(2) . .
C24 C23 C28 C27 1.7(19) . .
C29 C23 C28 C27 177.4(12) . .
O12 C27 C28 C23 -179.9(13) . .
C26 C27 C28 C23 -2(2) . .
C28 C23 C29 O9 -172.2(12) . .
C24 C23 C29 O9 3.6(18) . .
C28 C23 C29 O8 11.7(18) . .
C24 C23 C29 O8 -172.5(13) . .
C26 C25 C30 O10 25.0(19) . .
C24 C25 C30 O10 -153.8(13) . .
C26 C25 C30 O11 -152.5(12) . .
C24 C25 C30 O11 28.7(19) . .
O12 C31 C32 C37 -158.5(16) . .
O12 C31 C32 C33 14(2) . .
C37 C32 C33 C34 1(2) . .
C31 C32 C33 C34 -170.8(15) . .
C32 C33 C34 C35 -2(2) . .
C33 C34 C35 C36 -1(2) . .
C33 C34 C35 C38 177.8(12) . .
C34 C35 C36 C37 3(2) . .
C38 C35 C36 C37 -175.3(14) . .
C33 C32 C37 C36 1(3) . .
C31 C32 C37 C36 173.4(15) . .
C35 C36 C37 C32 -4(2) . .
C34 C35 C38 C39 41.7(18) . .
C36 C35 C38 C39 -140.0(13) . .
C34 C35 C38 C43 -138.3(13) . .
C36 C35 C38 C43 40.0(17) . .
C43 C38 C39 C40 1(2) . .
C35 C38 C39 C40 -179.4(12) . .
C38 C39 C40 C41 -2(2) . .
C39 C40 C41 C42 0(2) . .
C40 C41 C42 C43 2(2) . .
C41 C42 C43 C38 -3.2(19) . .
C41 C42 C43 C44 174.1(12) . .
C39 C38 C43 C42 1.7(17) . .
C35 C38 C43 C42 -178.2(11) . .
C39 C38 C43 C44 -175.3(11) . .
C35 C38 C43 C44 4.7(17) . .
C42 C43 C44 O14' 86(2) . .
C38 C43 C44 O14' -96(2) . .
C42 C43 C44 O13 -108.1(14) . .
C38 C43 C44 O13 69.1(16) . .
C42 C43 C44 O14 51(2) . .
C38 C43 C44 O14 -131.9(18) . .
O2 C7 O1 Pb2 -37(2) . .
C1 C7 O1 Pb2 146.9(9) . .
O15 Pb2 O1 C7 113.6(12) . .
O13 Pb2 O1 C7 132.6(10) 1_545 .
O11 Pb2 O1 C7 43.0(11) 2_457 .
O9 Pb2 O1 C7 -169.4(11) . .
O1 C7 O2 Pb1 -38.6(18) . .
C1 C7 O2 Pb1 136.8(11) . .
O2 Pb1 O2 C7 -128(100) 2_557 .
O15 Pb1 O2 C7 33.8(9) . .
O15 Pb1 O2 C7 -146.2(9) 2_557 .
O11 Pb1 O2 C7 99.4(9) 2_457 .
O11 Pb1 O2 C7 -80.6(9) 1_655 .
O10 Pb1 O2 C7 146.3(9) 2_457 .
O10 Pb1 O2 C7 -33.7(9) 1_655 .
O4 C8 O3 Pb4 -0.9(16) . .
C5 C8 O3 Pb4 -179.4(10) . .
O6 Pb4 O3 C8 78.7(9) 2_556 .
O2W Pb4 O3 C8 -161.4(11) 2_577 .
O7 Pb4 O3 C8 132.2(10) 2_556 .
O4 Pb4 O3 C8 0.5(8) . .
O6 Pb4 O3 C8 17.2(11) 1_565 .
O2W' Pb4 O3 C8 -147.3(11) 2_577 .
C22 Pb4 O3 C8 105.1(10) 2_556 .
O3 C8 O4 Pb4 0.8(14) . .
C5 C8 O4 Pb4 179.3(12) . .
O6 Pb4 O4 C8 -94.0(9) 2_556 .
O3 Pb4 O4 C8 -0.5(8) . .
O2W Pb4 O4 C8 29.3(15) 2_577 .
O7 Pb4 O4 C8 -49.5(9) 2_556 .
O6 Pb4 O4 C8 -165.0(9) 1_565 .
O2W' Pb4 O4 C8 30.1(10) 2_577 .
C22 Pb4 O4 C8 -72.7(9) 2_556 .
C2 C3 O5 C9 -153.3(14) . .
C4 C3 O5 C9 25(2) . .
C10 C9 O5 C3 167.7(12) . .
O7 C22 O6 Pb4 4.1(17) . 2_556
C21 C22 O6 Pb4 -171.0(14) . 2_556
O7 C22 O6 Pb4 149.0(13) . 1_545
C21 C22 O6 Pb4 -26(2) . 1_545
Pb4 C22 O6 Pb4 144.8(15) 2_556 1_545
O6 C22 O7 Pb4 -3.9(16) . 2_556
C21 C22 O7 Pb4 171.2(15) . 2_556
O9 C29 O8 Pb3 -6.9(15) . .
C23 C29 O8 Pb3 169.0(10) . .
O15 Pb3 O8 C29 -57.0(9) . .
O1W Pb3 O8 C29 -141.6(9) . .
O9 Pb3 O8 C29 3.5(8) . .
O10 Pb3 O8 C29 -122.3(9) 1_655 .
O8 C29 O9 Pb2 100.7(15) . .
C23 C29 O9 Pb2 -75.1(15) . .
O8 C29 O9 Pb3 6.6(14) . .
C23 C29 O9 Pb3 -169.3(10) . .
O15 Pb2 O9 C29 -67.6(10) . .
O13 Pb2 O9 C29 20.9(10) 1_545 .
O11 Pb2 O9 C29 -54.7(12) 2_457 .
O1 Pb2 O9 C29 -136.7(11) . .
O15 Pb2 O9 Pb3 26.1(3) . .
O13 Pb2 O9 Pb3 114.6(3) 1_545 .
O11 Pb2 O9 Pb3 38.9(6) 2_457 .
O1 Pb2 O9 Pb3 -43.0(3) . .
O15 Pb3 O9 C29 110.1(8) . .
O1W Pb3 O9 C29 34.8(9) . .
O8 Pb3 O9 C29 -3.5(8) . .
O10 Pb3 O9 C29 137.9(8) 1_655 .
O15 Pb3 O9 Pb2 -26.9(2) . .
O1W Pb3 O9 Pb2 -102.2(4) . .
O8 Pb3 O9 Pb2 -140.5(5) . .
O10 Pb3 O9 Pb2 0.9(6) 1_655 .
O11 C30 O10 Pb3 -154(3) . 1_455
C25 C30 O10 Pb3 28(5) . 1_455
O11 C30 O10 Pb1 16.2(13) . 1_455
C25 C30 O10 Pb1 -161.4(11) . 1_455
O10 C30 O11 Pb2 -123.5(13) . 2_457
C25 C30 O11 Pb2 54.0(18) . 2_457
O10 C30 O11 Pb1 -16.4(14) . 1_455
C25 C30 O11 Pb1 161.1(10) . 1_455
C32 C31 O12 C27 162.4(13) . .
C28 C27 O12 C31 -1(2) . .
C26 C27 O12 C31 -179.2(15) . .
O14' C44 O13 Pb2 -25(2) . 1_565
O14 C44 O13 Pb2 11(2) . 1_565
C43 C44 O13 Pb2 171.0(8) . 1_565
O13 C44 O14 O14' -111(3) . .
C43 C44 O14 O14' 91(3) . .
O13 C44 O14' O14 89(4) . .
C43 C44 O14' O14 -107(3) . .
O1W Pb3 O15 Pb2 151.5(3) . .
O8 Pb3 O15 Pb2 76.3(3) . .
O9 Pb3 O15 Pb2 31.5(3) . .
O10 Pb3 O15 Pb2 -130.8(4) 1_655 .
O1W Pb3 O15 Pb1 -100.4(3) . .
O8 Pb3 O15 Pb1 -175.7(3) . .
O9 Pb3 O15 Pb1 139.5(3) . .
O10 Pb3 O15 Pb1 -22.8(3) 1_655 .
O13 Pb2 O15 Pb3 -122.4(3) 1_545 .
O11 Pb2 O15 Pb3 154.4(4) 2_457 .
O9 Pb2 O15 Pb3 -32.8(3) . .
O1 Pb2 O15 Pb3 49.2(4) . .
O13 Pb2 O15 Pb1 121.1(3) 1_545 .
O11 Pb2 O15 Pb1 37.8(3) 2_457 .
O9 Pb2 O15 Pb1 -149.3(3) . .
O1 Pb2 O15 Pb1 -67.4(3) . .
O2 Pb1 O15 Pb3 110.0(3) 2_557 .
O2 Pb1 O15 Pb3 -70.0(3) . .
O15 Pb1 O15 Pb3 -160(100) 2_557 .
O11 Pb1 O15 Pb3 -150.8(4) 2_457 .
O11 Pb1 O15 Pb3 29.2(4) 1_655 .
O10 Pb1 O15 Pb3 -156.7(3) 2_457 .
O10 Pb1 O15 Pb3 23.3(3) 1_655 .
O2 Pb1 O15 Pb2 -135.6(3) 2_557 .
O2 Pb1 O15 Pb2 44.4(3) . .
O15 Pb1 O15 Pb2 -45(100) 2_557 .
O11 Pb1 O15 Pb2 -36.4(3) 2_457 .
O11 Pb1 O15 Pb2 143.6(3) 1_655 .
O10 Pb1 O15 Pb2 -42.3(4) 2_457 .
O10 Pb1 O15 Pb2 137.7(4) 1_655 .
