#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:37:35 +0200 (Mon, 07 Nov 2022) $
#$Revision: 279004 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/19/7061970.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_7061970
loop_
_publ_author_name
'Someşan, Adrian-Alexandru'
'Varga, Richard A.'
_publ_section_title
;
 Diaryllead(ii) species stabilized by C,O-chelating ligands
;
_journal_issue                   42
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              20074
_journal_page_last               20077
_journal_paper_doi               10.1039/D2NJ03796C
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C60 H78 O6 Pb2'
_chemical_formula_weight         1309.60
_chemical_name_common            asa256b
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2022-07-26 deposited with the CCDC.	2022-10-12 downloaded from the CCDC.
;
_cell_angle_alpha                108.6540(10)
_cell_angle_beta                 109.6480(10)
_cell_angle_gamma                101.3420(10)
_cell_formula_units_Z            1
_cell_length_a                   9.1889(3)
_cell_length_b                   13.3757(5)
_cell_length_c                   13.3852(5)
_cell_measurement_reflns_used    9941
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      28.2913
_cell_measurement_theta_min      2.3673
_cell_volume                     1380.02(9)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker APEX3 2019.11-0'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 994)'
_computing_publication_material  'Bruker APEX3 2019.11-0'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0173
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            89966
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.88
_diffrn_source                   'Incoatec Mo--I\mS 3.0 microfocus source'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    6.140
_exptl_absorpt_correction_T_max  0.67
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             650
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.411
_refine_diff_density_min         -0.593
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6858
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0185
_refine_ls_R_factor_gt           0.0156
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0141P)²+1.0367P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0336
_refine_ls_wR_factor_ref         0.0344
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6355
_reflns_number_total             6858
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj03796c2.cif
_cod_data_source_block           119richy
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7061967--7061971.cif.
;
_cod_database_code               7061970
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb Pb1 0.34805(2) 0.50670(2) 0.50676(2) 0.01696(2) Uani d . . . 1 . .
O O1 0.52877(18) 0.87176(13) 0.71062(13) 0.0256(3) Uani d . . . 1 . .
O O2 0.12741(19) 0.27266(12) 0.09277(12) 0.0249(3) Uani d . . . 1 . .
O O3 0.3236(6) 0.2782(4) 0.6990(4) 0.0259(9) Uani d . P . 0.4 A 1
C C27 0.4228(3) 0.36754(18) 0.68888(18) 0.0232(4) Uani d . P . 0.4 A 1
H H27A 0.397909 0.349089 0.605842 0.028 Uiso calc U P R 0.4 A 1
H H27B 0.540739 0.380184 0.731696 0.028 Uiso calc U P R 0.4 A 1
C C28 0.3473(11) 0.1736(10) 0.6552(9) 0.0270(11) Uani d . P . 0.4 A 1
H H28 0.372851 0.166754 0.586822 0.032 Uiso calc U P R 0.4 A 1
C C29 0.1858(14) 0.0824(8) 0.6151(12) 0.0522(14) Uani d . P . 0.4 A 1
H H29A 0.098068 0.089827 0.554491 0.078 Uiso calc U P R 0.4 A 1
H H29B 0.159104 0.090064 0.681542 0.078 Uiso calc U P R 0.4 A 1
H H29C 0.19605 0.008553 0.583325 0.078 Uiso calc U P R 0.4 A 1
C C30 0.4889(15) 0.1675(9) 0.7495(9) 0.0454(11) Uani d . P . 0.4 A 1
H H30A 0.499008 0.093183 0.720945 0.068 Uiso calc U P R 0.4 A 1
H H30B 0.468306 0.180379 0.818979 0.068 Uiso calc U P R 0.4 A 1
H H30C 0.591045 0.225096 0.76943 0.068 Uiso calc U P R 0.4 A 1
O O3B 0.4149(4) 0.3007(3) 0.7500(3) 0.0289(6) Uani d . P . 0.6 A 2
C C27B 0.4228(3) 0.36754(18) 0.68888(18) 0.0232(4) Uani d . P . 0.6 A 2
H H27C 0.343487 0.323944 0.605837 0.028 Uiso calc U P R 0.6 A 2
H H27D 0.534375 0.389962 0.692507 0.028 Uiso calc U P R 0.6 A 2
C C28B 0.4068(6) 0.1877(6) 0.6887(5) 0.0270(11) Uani d . P . 0.6 A 2
H H28B 0.475591 0.189015 0.644649 0.032 Uiso calc U P R 0.6 A 2
C C29B 0.2320(8) 0.1159(5) 0.6046(7) 0.0522(14) Uani d . P . 0.6 A 2
H H29D 0.226329 0.038306 0.566919 0.078 Uiso calc U P R 0.6 A 2
H H29E 0.192611 0.144102 0.545024 0.078 Uiso calc U P R 0.6 A 2
H H29F 0.163086 0.118437 0.646865 0.078 Uiso calc U P R 0.6 A 2
C C30B 0.4765(9) 0.1460(5) 0.7796(6) 0.0454(11) Uani d . P . 0.6 A 2
H H30D 0.475411 0.06972 0.741517 0.068 Uiso calc U P R 0.6 A 2
H H30E 0.409839 0.145383 0.823328 0.068 Uiso calc U P R 0.6 A 2
H H30F 0.589777 0.195609 0.833256 0.068 Uiso calc U P R 0.6 A 2
C C1 0.2778(2) 0.64123(17) 0.45734(17) 0.0194(4) Uani d . . . 1 . .
C C2 0.3813(3) 0.75273(17) 0.51001(17) 0.0205(4) Uani d . . . 1 . .
C C3 0.3304(3) 0.82889(19) 0.46795(19) 0.0260(4) Uani d . . . 1 . .
H H3 0.401609 0.904543 0.502611 0.031 Uiso calc U . R 1 . .
C C4 0.1777(3) 0.7958(2) 0.3765(2) 0.0291(5) Uani d . . . 1 . .
H H4 0.144922 0.848383 0.348434 0.035 Uiso calc U . R 1 . .
C C5 0.0726(3) 0.6856(2) 0.32603(19) 0.0276(5) Uani d . . . 1 . .
H H5 -0.033381 0.663031 0.264631 0.033 Uiso calc U . R 1 . .
C C6 0.1227(3) 0.60835(19) 0.36543(18) 0.0235(4) Uani d . . . 1 . .
H H6 0.051375 0.532646 0.329817 0.028 Uiso calc U . R 1 . .
C C7 0.5440(3) 0.79740(18) 0.61474(18) 0.0247(4) Uani d . . . 1 . .
H H7A 0.572412 0.734972 0.631335 0.03 Uiso calc U . R 1 . .
H H7B 0.631762 0.837673 0.6002 0.03 Uiso calc U . R 1 . .
C C8 0.6690(3) 0.91054(19) 0.82079(19) 0.0294(5) Uani d . . . 1 . .
H H8 0.704131 0.845721 0.826889 0.035 Uiso calc U . R 1 . .
C C9 0.8114(3) 1.0001(2) 0.8321(2) 0.0371(6) Uani d . . . 1 . .
H H9A 0.842638 0.969271 0.768684 0.056 Uiso calc U . R 1 . .
H H9B 0.905281 1.024426 0.9074 0.056 Uiso calc U . R 1 . .
H H9C 0.778187 1.064392 0.827665 0.056 Uiso calc U . R 1 . .
C C10 0.6109(3) 0.9544(2) 0.9140(2) 0.0387(6) Uani d . . . 1 . .
H H10A 0.578141 1.018762 0.909228 0.058 Uiso calc U . R 1 . .
H H10B 0.700158 0.977724 0.991147 0.058 Uiso calc U . R 1 . .
H H10C 0.516608 0.895006 0.901955 0.058 Uiso calc U . R 1 . .
C C11 0.1385(2) 0.34602(16) 0.38710(17) 0.0191(4) Uani d . . . 1 . .
C C12 0.0932(2) 0.29199(17) 0.26706(17) 0.0194(4) Uani d . . . 1 . .
C C13 -0.0340(3) 0.18880(18) 0.20148(18) 0.0246(4) Uani d . . . 1 . .
H H13 -0.064657 0.151185 0.120275 0.03 Uiso calc U . R 1 . .
C C14 -0.1165(3) 0.14032(19) 0.2533(2) 0.0282(5) Uani d . . . 1 . .
H H14 -0.202652 0.069761 0.207709 0.034 Uiso calc U . R 1 . .
C C15 -0.0737(3) 0.1945(2) 0.3710(2) 0.0289(5) Uani d . . . 1 . .
H H15 -0.131283 0.161854 0.406317 0.035 Uiso calc U . R 1 . .
C C16 0.0546(3) 0.29725(18) 0.43818(18) 0.0240(4) Uani d . . . 1 . .
H H16 0.084782 0.334139 0.51939 0.029 Uiso calc U . R 1 . .
C C17 0.1795(3) 0.34613(18) 0.21007(17) 0.0236(4) Uani d . . . 1 . .
H H17A 0.1555 0.415862 0.213611 0.028 Uiso calc U . R 1 . .
H H17B 0.299707 0.366441 0.253007 0.028 Uiso calc U . R 1 . .
C C18 0.1899(3) 0.3251(2) 0.03076(19) 0.0303(5) Uani d U P . 0.9 B 3
H H18 0.30789 0.372156 0.082663 0.036 Uiso calc U P R 0.9 B 3
C C19 0.1000(7) 0.3995(4) -0.0008(4) 0.0716(14) Uani d U P . 0.9 B 3
H H19A 0.146065 0.434072 -0.042799 0.107 Uiso calc U P R 0.9 B 3
H H19B 0.111038 0.458224 0.070439 0.107 Uiso calc U P R 0.9 B 3
H H19C -0.016576 0.355125 -0.050712 0.107 Uiso calc U P R 0.9 B 3
C C20 0.1819(10) 0.2360(6) -0.0738(6) 0.0356(10) Uani d . P . 0.9 B 3
H H20D 0.243421 0.189454 -0.049228 0.053 Uiso calc U P R 0.9 B 3
H H20E 0.230026 0.270796 -0.114829 0.053 Uiso calc U P R 0.9 B 3
H H20F 0.066924 0.189155 -0.126056 0.053 Uiso calc U P R 0.9 B 3
C C18B 0.1899(3) 0.3251(2) 0.03076(19) 0.0303(5) Uani d . P . 0.1 B 4
H H18B 0.29026 0.393912 0.079158 0.036 Uiso calc U P R 0.1 B 4
C C19B 0.007(6) 0.345(4) -0.035(4) 0.0716(14) Uani d U P . 0.1 B 4
H H19D -0.024367 0.385342 0.024928 0.107 Uiso calc U P R 0.1 B 4
H H19E -0.078849 0.272564 -0.088633 0.107 Uiso calc U P R 0.1 B 4
H H19F 0.022465 0.390018 -0.07874 0.107 Uiso calc U P R 0.1 B 4
C C20B 0.203(10) 0.222(6) -0.067(7) 0.0356(10) Uani d . P . 0.1 B 4
H H20A 0.118867 0.151495 -0.087852 0.053 Uiso calc U P R 0.1 B 4
H H20B 0.312323 0.215349 -0.035113 0.053 Uiso calc U P R 0.1 B 4
H H20C 0.186934 0.235788 -0.13676 0.053 Uiso calc U P R 0.1 B 4
C C21 0.3532(2) 0.54111(17) 0.68312(16) 0.0187(4) Uani d . . . 1 . .
C C22 0.3835(2) 0.47092(17) 0.74047(17) 0.0195(4) Uani d . . . 1 . .
C C23 0.3793(3) 0.49822(18) 0.84897(18) 0.0232(4) Uani d . . . 1 . .
H H23 0.398875 0.450683 0.887924 0.028 Uiso calc U . R 1 . .
C C24 0.3471(3) 0.59373(19) 0.90061(19) 0.0271(5) Uani d . . . 1 . .
H H24 0.345385 0.611539 0.974736 0.033 Uiso calc U . R 1 . .
C C25 0.3175(3) 0.66312(19) 0.84441(19) 0.0266(4) Uani d . . . 1 . .
H H25 0.294762 0.728369 0.879592 0.032 Uiso calc U . R 1 . .
C C26 0.3212(3) 0.63717(18) 0.73608(18) 0.0230(4) Uani d . . . 1 . .
H H26 0.301641 0.685311 0.697891 0.028 Uiso calc U . R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C11 Pb1 C21 . . 104.55(7) ?
C11 Pb1 C1 . . 107.02(7) ?
C21 Pb1 C1 . . 106.94(7) ?
C11 Pb1 Pb1 . 2_666 111.97(5) ?
C21 Pb1 Pb1 . 2_666 114.43(5) ?
C1 Pb1 Pb1 . 2_666 111.41(5) ?
C7 O1 C8 . . 113.69(16) ?
C17 O2 C18B . . 112.70(16) ?
C17 O2 C18 . . 112.70(16) ?
C28 O3 C27 . . 114.4(6) ?
O3 C27 C22 . . 107.1(2) ?
O3 C28 C30 . . 109.8(8) ?
O3 C28 C29 . . 106.6(8) ?
C30 C28 C29 . . 112.4(10) ?
C27B O3B C28B . . 113.7(3) ?
O3B C27B C22 . . 110.48(19) ?
O3B C28B C29B . . 109.9(5) ?
O3B C28B C30B . . 106.8(5) ?
C29B C28B C30B . . 112.0(6) ?
C2 C1 C6 . . 119.45(18) ?
C2 C1 Pb1 . . 123.62(14) ?
C6 C1 Pb1 . . 116.90(15) ?
C1 C2 C3 . . 119.32(19) ?
C1 C2 C7 . . 123.10(18) ?
C3 C2 C7 . . 117.52(19) ?
C4 C3 C2 . . 121.0(2) ?
C3 C4 C5 . . 119.8(2) ?
C4 C5 C6 . . 119.9(2) ?
C5 C6 C1 . . 120.5(2) ?
O1 C7 C2 . . 107.39(16) ?
O1 C8 C10 . . 106.03(19) ?
O1 C8 C9 . . 111.18(19) ?
C10 C8 C9 . . 112.0(2) ?
C16 C11 C12 . . 119.76(19) ?
C16 C11 Pb1 . . 116.45(14) ?
C12 C11 Pb1 . . 123.75(14) ?
C13 C12 C11 . . 119.05(18) ?
C13 C12 C17 . . 120.78(18) ?
C11 C12 C17 . . 120.16(18) ?
C14 C13 C12 . . 120.81(19) ?
C15 C14 C13 . . 120.1(2) ?
C14 C15 C16 . . 119.8(2) ?
C11 C16 C15 . . 120.47(19) ?
O2 C17 C12 . . 110.65(17) ?
O2 C18 C19 . . 111.7(2) ?
O2 C18 C20 . . 108.5(3) ?
C19 C18 C20 . . 112.0(3) ?
O2 C18B C20B . . 103.(3) ?
O2 C18B C19B . . 93.1(13) ?
C20B C18B C19B . . 108.(3) ?
C26 C21 C22 . . 119.42(17) ?
C26 C21 Pb1 . . 116.92(14) ?
C22 C21 Pb1 . . 123.65(14) ?
C23 C22 C21 . . 119.19(18) ?
C23 C22 C27 . . 119.01(18) ?
C21 C22 C27 . . 121.80(17) ?
C23 C22 C27B . . 119.01(18) ?
C21 C22 C27B . . 121.80(17) ?
C24 C23 C22 . . 120.87(19) ?
C25 C24 C23 . . 120.07(19) ?
C24 C25 C26 . . 119.8(2) ?
C25 C26 C21 . . 120.61(19) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pb1 C11 . 2.233(2) ?
Pb1 C21 . 2.2377(18) ?
Pb1 C1 . 2.2414(19) ?
Pb1 Pb1 2_666 2.89459(17) ?
O1 C7 . 1.420(2) ?
O1 C8 . 1.440(3) ?
O2 C17 . 1.408(2) ?
O2 C18B . 1.430(2) ?
O2 C18 . 1.430(2) ?
O3 C28 . 1.425(13) ?
O3 C27 . 1.426(5) ?
C27 C22 . 1.507(3) ?
C28 C30 . 1.515(12) ?
C28 C29 . 1.521(13) ?
O3B C27B . 1.399(3) ?
O3B C28B . 1.443(8) ?
C27B C22 . 1.507(3) ?
C28B C29B . 1.501(8) ?
C28B C30B . 1.502(7) ?
C1 C2 . 1.394(3) ?
C1 C6 . 1.402(3) ?
C2 C3 . 1.397(3) ?
C2 C7 . 1.503(3) ?
C3 C4 . 1.385(3) ?
C4 C5 . 1.388(3) ?
C5 C6 . 1.390(3) ?
C8 C10 . 1.513(3) ?
C8 C9 . 1.517(3) ?
C11 C16 . 1.389(3) ?
C11 C12 . 1.402(3) ?
C12 C13 . 1.394(3) ?
C12 C17 . 1.506(3) ?
C13 C14 . 1.387(3) ?
C14 C15 . 1.379(3) ?
C15 C16 . 1.395(3) ?
C18 C19 . 1.485(4) ?
C18 C20 . 1.488(7) ?
C18B C20B . 1.63(7) ?
C18B C19B . 1.73(5) ?
C21 C26 . 1.395(3) ?
C21 C22 . 1.403(3) ?
C22 C23 . 1.395(3) ?
C23 C24 . 1.385(3) ?
C24 C25 . 1.382(3) ?
C25 C26 . 1.393(3) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C28 O3 C27 C22 . . . . -179.3(5) ?
C27 O3 C28 C30 . . . . 86.4(9) ?
C27 O3 C28 C29 . . . . -151.6(7) ?
C28B O3B C27B C22 . . . . 164.2(3) ?
C27B O3B C28B C29B . . . . -84.1(6) ?
C27B O3B C28B C30B . . . . 154.1(4) ?
C6 C1 C2 C3 . . . . -1.8(3) ?
Pb1 C1 C2 C3 . . . . 175.86(14) ?
C6 C1 C2 C7 . . . . 175.24(18) ?
Pb1 C1 C2 C7 . . . . -7.1(3) ?
C1 C2 C3 C4 . . . . 1.3(3) ?
C7 C2 C3 C4 . . . . -175.92(19) ?
C2 C3 C4 C5 . . . . 0.4(3) ?
C3 C4 C5 C6 . . . . -1.6(3) ?
C4 C5 C6 C1 . . . . 1.1(3) ?
C2 C1 C6 C5 . . . . 0.6(3) ?
Pb1 C1 C6 C5 . . . . -177.21(15) ?
C8 O1 C7 C2 . . . . 172.64(17) ?
C1 C2 C7 O1 . . . . -111.2(2) ?
C3 C2 C7 O1 . . . . 65.9(2) ?
C7 O1 C8 C10 . . . . -161.55(19) ?
C7 O1 C8 C9 . . . . 76.5(2) ?
C16 C11 C12 C13 . . . . -1.2(3) ?
Pb1 C11 C12 C13 . . . . 176.52(15) ?
C16 C11 C12 C17 . . . . 177.85(19) ?
Pb1 C11 C12 C17 . . . . -4.5(3) ?
C11 C12 C13 C14 . . . . 0.8(3) ?
C17 C12 C13 C14 . . . . -178.2(2) ?
C12 C13 C14 C15 . . . . 0.3(3) ?
C13 C14 C15 C16 . . . . -1.0(4) ?
C12 C11 C16 C15 . . . . 0.5(3) ?
Pb1 C11 C16 C15 . . . . -177.36(16) ?
C14 C15 C16 C11 . . . . 0.6(3) ?
C18B O2 C17 C12 . . . . 172.51(18) ?
C18 O2 C17 C12 . . . . 172.51(18) ?
C13 C12 C17 O2 . . . . -7.4(3) ?
C11 C12 C17 O2 . . . . 173.62(17) ?
C17 O2 C18 C19 . . . . -76.4(3) ?
C17 O2 C18 C20 . . . . 159.6(3) ?
C17 O2 C18B C20B . . . . 150.(3) ?
C17 O2 C18B C19B . . . . -100.3(15) ?
C26 C21 C22 C23 . . . . 0.6(3) ?
Pb1 C21 C22 C23 . . . . -178.15(15) ?
C26 C21 C22 C27 . . . . -178.53(19) ?
Pb1 C21 C22 C27 . . . . 2.7(3) ?
C26 C21 C22 C27B . . . . -178.53(19) ?
Pb1 C21 C22 C27B . . . . 2.7(3) ?
O3 C27 C22 C23 . . . . 47.6(3) ?
O3 C27 C22 C21 . . . . -133.3(3) ?
O3B C27B C22 C23 . . . . 12.8(3) ?
O3B C27B C22 C21 . . . . -168.1(2) ?
C21 C22 C23 C24 . . . . -0.5(3) ?
C27 C22 C23 C24 . . . . 178.6(2) ?
C27B C22 C23 C24 . . . . 178.6(2) ?
C22 C23 C24 C25 . . . . 0.4(3) ?
C23 C24 C25 C26 . . . . -0.4(3) ?
C24 C25 C26 C21 . . . . 0.5(3) ?
C22 C21 C26 C25 . . . . -0.6(3) ?
Pb1 C21 C26 C25 . . . . 178.23(16) ?
