#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/72/2227235.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_2227235
loop_
_publ_author_name
'Lyczko, Krzysztof'
'Lyczko, Monika'
'Starosta, Wojciech'
_publ_section_title
;
 catena-Poly[(μ₃-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-onato)(μ₂-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-onato)lead(II)]
;
_journal_coeditor_code           BT5353
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1395
_journal_page_last               m1396
_journal_paper_doi               10.1107/S1600536810039978
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb (C10 H11 O2)2]'
_chemical_formula_moiety         'C20 H22 O4 Pb'
_chemical_formula_sum            'C20 H22 O4 Pb'
_chemical_formula_weight         533.57
_chemical_name_common            bis(hinokitiolato-O,O')lead(II)
_chemical_name_systematic
;
catena-Poly[(μ₃-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-\
1-onato)(μ₂-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-\
1-onato)lead(II)]
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.780(7)
_cell_length_b                   8.2802(17)
_cell_length_c                   7.3661(15)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     2060.3(7)
_computing_cell_refinement       'KM-4 Software (Kuma, 1996)'
_computing_data_collection       'KM-4 Software (Kuma, 1996)'
_computing_data_reduction        'DATAPROC (Kuma, 2001)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Kuma KM-4 four-circle'
_diffrn_measurement_method       'profile data from ω/2θ 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  0.0933
_diffrn_reflns_av_sigmaI/netI    0.0679
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3452
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.21
_diffrn_standards_decay_%        1.12
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.207
_exptl_absorpt_correction_T_max  0.78905
_exptl_absorpt_correction_T_min  0.52716
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2000)'
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.379
_refine_diff_density_min         -2.109
_refine_ls_abs_structure_details '0 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.004(18)
_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     216
_refine_ls_number_reflns         3063
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0528P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                1969
_reflns_number_total             3063
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt5353.cif
_cod_data_source_block           I
_cod_database_code               2227235
_cod_database_fobs_code          2227235
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'
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
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb Pb1 0.481976(9) 0.57161(3) 0.75652(10) 0.03247(9) Uani d . 1 . .
O O1 0.4460(2) 0.4808(9) 0.4911(10) 0.0418(16) Uani d . 1 . .
O O11 0.4841(2) 0.3176(7) 0.8915(10) 0.0380(15) Uani d . 1 . .
O O12 0.5278(2) 0.3903(9) 0.6075(9) 0.0383(18) Uani d . 1 . .
C C6 0.3480(4) 0.4735(14) 0.285(2) 0.051(3) Uani d . 1 . .
H H6 0.3422 0.4691 0.1621 0.061 Uiso calc R 1 . .
C C7 0.3888(4) 0.4763(13) 0.3168(15) 0.047(3) Uani d . 1 . .
H H7 0.4050 0.4696 0.2149 0.056 Uiso calc R 1 . .
C C1 0.4082(4) 0.4881(11) 0.4871(13) 0.037(2) Uani d . 1 . .
C C2 0.3877(4) 0.5141(14) 0.6634(14) 0.041(3) Uani d . 1 . .
C C12 0.5365(3) 0.2592(10) 0.6953(14) 0.029(2) Uani d . 1 . .
C C11 0.5116(3) 0.2171(12) 0.8453(13) 0.034(2) Uani d . 1 . .
C C3 0.3461(3) 0.5041(16) 0.6895(17) 0.050(3) Uani d . 1 . .
H H3 0.3393 0.5113 0.8116 0.060 Uiso calc R 1 . .
C C5 0.3149(4) 0.4757(16) 0.388(2) 0.062(4) Uani d . 1 . .
H H5 0.2909 0.4695 0.3269 0.075 Uiso calc R 1 . .
C C4 0.3133(4) 0.486(2) 0.581(2) 0.065(4) Uani d . 1 C .
O O2 0.4095(3) 0.5386(11) 0.7952(9) 0.054(2) Uani d . 1 . .
C C17 0.5161(4) 0.0757(11) 0.9515(17) 0.047(3) Uani d . 1 . .
H H27 0.4975 0.0639 1.0437 0.057 Uiso calc R 1 . .
C C14 0.5868(4) 0.0264(15) 0.6776(18) 0.049(3) Uani d . 1 D .
C C13 0.5692(3) 0.1717(12) 0.6255(14) 0.038(2) Uani d . 1 . .
H H23 0.5812 0.2205 0.5260 0.045 Uiso calc R 1 . .
C C15 0.5738(4) -0.0695(14) 0.819(2) 0.060(4) Uani d . 1 . .
H H25 0.5880 -0.1648 0.8353 0.072 Uiso calc R 1 . .
C C18 0.6213(5) -0.0337(18) 0.559(2) 0.082(4) Uani d D 1 . .
H H18 0.6343 -0.1202 0.6275 0.099 Uiso calc R 1 A 3
C C16 0.5434(5) -0.0469(13) 0.941(2) 0.066(4) Uani d . 1 . .
H H26 0.5410 -0.1266 1.0291 0.079 Uiso calc R 1 . .
C C8 0.2724(4) 0.483(2) 0.668(2) 0.087(4) Uani d D 1 . .
H H8 0.2534 0.4871 0.5679 0.104 Uiso calc R 1 B 1
C C9A 0.2598(7) 0.613(3) 0.800(4) 0.087(4) Uani d PD 0.69(4) C 1
H H9A 0.2623 0.7168 0.7426 0.130 Uiso calc PR 0.69(4) C 1
H H9B 0.2764 0.6094 0.9055 0.130 Uiso calc PR 0.69(4) C 1
H H9C 0.2327 0.5959 0.8346 0.130 Uiso calc PR 0.69(4) C 1
C C10A 0.2694(7) 0.314(2) 0.747(5) 0.087(4) Uani d PD 0.69(4) C 1
H H10A 0.2774 0.2367 0.6564 0.130 Uiso calc PR 0.69(4) C 1
H H10B 0.2425 0.2926 0.7818 0.130 Uiso calc PR 0.69(4) C 1
H H10C 0.2864 0.3050 0.8507 0.130 Uiso calc PR 0.69(4) C 1
C C9B 0.2709(15) 0.656(4) 0.742(9) 0.087(4) Uani d PD 0.31(4) C 2
H H9D 0.2819 0.7287 0.6532 0.130 Uiso calc PR 0.31(4) C 2
H H9E 0.2861 0.6628 0.8518 0.130 Uiso calc PR 0.31(4) C 2
H H9F 0.2440 0.6857 0.7662 0.130 Uiso calc PR 0.31(4) C 2
C C10B 0.2558(15) 0.367(6) 0.810(6) 0.087(4) Uani d PD 0.31(4) C 2
H H10D 0.2287 0.3943 0.8354 0.130 Uiso calc PR 0.31(4) C 2
H H10E 0.2711 0.3744 0.9193 0.130 Uiso calc PR 0.31(4) C 2
H H10F 0.2570 0.2583 0.7641 0.130 Uiso calc PR 0.31(4) C 2
C C19A 0.6081(9) -0.107(5) 0.383(4) 0.082(4) Uani d PD 0.60(6) D 3
H H19A 0.5888 -0.1893 0.4069 0.123 Uiso calc PR 0.60(6) D 3
H H19B 0.6305 -0.1531 0.3222 0.123 Uiso calc PR 0.60(6) D 3
H H19C 0.5965 -0.0245 0.3082 0.123 Uiso calc PR 0.60(6) D 3
C C20A 0.6523(9) 0.101(3) 0.534(6) 0.082(4) Uani d PD 0.60(6) D 3
H H20A 0.6595 0.1435 0.6509 0.123 Uiso calc PR 0.60(6) D 3
H H20B 0.6414 0.1851 0.4605 0.123 Uiso calc PR 0.60(6) D 3
H H20C 0.6754 0.0568 0.4763 0.123 Uiso calc PR 0.60(6) D 3
C C19B 0.6116(14) -0.039(8) 0.356(4) 0.082(4) Uani d PD 0.40(6) D 4
H H19D 0.5866 -0.0922 0.3390 0.123 Uiso calc PR 0.40(6) D 4
H H19E 0.6319 -0.0975 0.2934 0.123 Uiso calc PR 0.40(6) D 4
H H19F 0.6101 0.0689 0.3098 0.123 Uiso calc PR 0.40(6) D 4
C C20B 0.6584(9) 0.057(6) 0.603(8) 0.082(4) Uani d PD 0.40(6) D 4
H H20D 0.6632 0.0523 0.7310 0.123 Uiso calc PR 0.40(6) D 4
H H20E 0.6555 0.1676 0.5660 0.123 Uiso calc PR 0.40(6) D 4
H H20F 0.6802 0.0093 0.5391 0.123 Uiso calc PR 0.40(6) D 4
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
O11 Pb1 O12 . . 67.3(2) y
O11 Pb1 O1 . . 94.6(3) ?
O12 Pb1 O1 . . 76.2(3) ?
O11 Pb1 O2 . . 83.2(3) ?
O12 Pb1 O2 . . 128.0(3) ?
O1 Pb1 O2 . . 64.1(2) y
O11 Pb1 O12 . 2_665 72.0(2) ?
O12 Pb1 O12 . 2_665 126.99(19) ?
O1 Pb1 O12 . 2_665 140.3(3) ?
O2 Pb1 O12 . 2_665 77.0(2) ?
C1 O1 Pb1 . . 120.3(6) ?
C11 O11 Pb1 . . 119.4(6) ?
C12 O12 Pb1 . . 115.9(6) ?
C12 O12 Pb1 . 2_664 128.3(6) ?
Pb1 O12 Pb1 . 2_664 107.0(3) ?
C5 C6 C7 . . 136.4(13) ?
C5 C6 H6 . . 111.8 ?
C7 C6 H6 . . 111.8 ?
C6 C7 C1 . . 127.1(12) ?
C6 C7 H7 . . 116.5 ?
C1 C7 H7 . . 116.5 ?
O1 C1 C7 . . 118.5(10) ?
O1 C1 C2 . . 117.0(9) ?
C7 C1 C2 . . 124.5(11) ?
O2 C2 C3 . . 119.6(11) ?
O2 C2 C1 . . 115.5(10) ?
C3 C2 C1 . . 124.9(11) ?
O12 C12 C13 . . 115.0(9) ?
O12 C12 C11 . . 117.1(9) ?
C13 C12 C11 . . 127.8(9) ?
O11 C11 C17 . . 117.7(9) ?
O11 C11 C12 . . 117.9(9) ?
C17 C11 C12 . . 124.3(10) ?
C4 C3 C2 . . 136.5(12) ?
C4 C3 H3 . . 111.7 ?
C2 C3 H3 . . 111.7 ?
C6 C5 C4 . . 126.2(13) ?
C6 C5 H5 . . 116.9 ?
C4 C5 H5 . . 116.9 ?
C3 C4 C5 . . 123.7(15) ?
C3 C4 C8 . . 119.3(14) ?
C5 C4 C8 . . 116.9(14) ?
C2 O2 Pb1 . . 121.1(7) ?
C16 C17 C11 . . 130.6(12) ?
C16 C17 H27 . . 114.7 ?
C11 C17 H27 . . 114.7 ?
C15 C14 C13 . . 124.5(12) ?
C15 C14 C18 . . 118.9(11) ?
C13 C14 C18 . . 116.5(12) ?
C14 C13 C12 . . 132.3(10) ?
C14 C13 H23 . . 113.8 ?
C12 C13 H23 . . 113.8 ?
C16 C15 C14 . . 130.6(11) ?
C16 C15 H25 . . 114.7 ?
C14 C15 H25 . . 114.7 ?
C20B C18 C19A . . 130(2) ?
C20B C18 C19B . . 113.9(17) ?
C20B C18 C14 . . 110(2) ?
C19A C18 C14 . . 113.4(16) ?
C19B C18 C14 . . 114(2) ?
C19A C18 C20A . . 113.1(15) ?
C19B C18 C20A . . 93(2) ?
C14 C18 C20A . . 110.4(15) ?
C20B C18 H18 . . 83.2 ?
C19A C18 H18 . . 106.5 ?
C19B C18 H18 . . 125.3 ?
C14 C18 H18 . . 106.5 ?
C20A C18 H18 . . 106.5 ?
C15 C16 C17 . . 129.7(12) ?
C15 C16 H26 . . 115.1 ?
C17 C16 H26 . . 115.1 ?
C9A C8 C10A . . 113.4(15) ?
C9A C8 C4 . . 120.7(16) ?
C10A C8 C4 . . 103.7(15) ?
C9A C8 C10B . . 85(2) ?
C4 C8 C10B . . 129(2) ?
C10A C8 C9B . . 137(3) ?
C4 C8 C9B . . 99(2) ?
C10B C8 C9B . . 109.8(18) ?
C9A C8 H8 . . 106.0 ?
C10A C8 H8 . . 106.0 ?
C4 C8 H8 . . 106.0 ?
C10B C8 H8 . . 107.3 ?
C9B C8 H8 . . 102.3 ?
C8 C9A H9A . . 109.5 ?
C8 C9A H9B . . 109.5 ?
H9A C9A H9B . . 109.5 ?
C8 C9A H9C . . 109.5 ?
H9A C9A H9C . . 109.5 ?
H9B C9A H9C . . 109.5 ?
C8 C10A H10A . . 109.5 ?
C8 C10A H10B . . 109.5 ?
H10A C10A H10B . . 109.5 ?
C8 C10A H10C . . 109.5 ?
H10A C10A H10C . . 109.5 ?
H10B C10A H10C . . 109.5 ?
C8 C9B H9D . . 109.5 ?
C8 C9B H9E . . 109.5 ?
H9D C9B H9E . . 109.5 ?
C8 C9B H9F . . 109.5 ?
H9D C9B H9F . . 109.5 ?
H9E C9B H9F . . 109.5 ?
C8 C10B H10D . . 109.5 ?
C8 C10B H10E . . 109.5 ?
H10D C10B H10E . . 109.5 ?
C8 C10B H10F . . 109.5 ?
H10D C10B H10F . . 109.5 ?
H10E C10B H10F . . 109.5 ?
C18 C19A H19A . . 109.5 ?
C18 C19A H19B . . 109.5 ?
H19A C19A H19B . . 109.5 ?
C18 C19A H19C . . 109.5 ?
H19A C19A H19C . . 109.5 ?
H19B C19A H19C . . 109.5 ?
C18 C20A H20A . . 109.5 ?
C18 C20A H20B . . 109.5 ?
H20A C20A H20B . . 109.5 ?
C18 C20A H20C . . 109.5 ?
H20A C20A H20C . . 109.5 ?
H20B C20A H20C . . 109.5 ?
C18 C19B H19D . . 109.5 ?
C18 C19B H19E . . 109.5 ?
H19D C19B H19E . . 109.5 ?
C18 C19B H19F . . 109.5 ?
H19D C19B H19F . . 109.5 ?
H19E C19B H19F . . 109.5 ?
C18 C20B H20D . . 109.5 ?
C18 C20B H20E . . 109.5 ?
H20D C20B H20E . . 109.5 ?
C18 C20B H20F . . 109.5 ?
H20D C20B H20F . . 109.5 ?
H20E C20B H20F . . 109.5 ?
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 O11 . 2.327(6) y
Pb1 O12 . 2.420(7) y
Pb1 O1 . 2.422(7) y
Pb1 O2 . 2.479(9) y
Pb1 O12 2_665 2.625(7) y
Pb1 O1 2_665 3.016(8) y
Pb1 O11 2_664 3.064(8) y
O1 C1 . 1.278(14) ?
O11 C11 . 1.293(12) ?
O12 C12 . 1.297(11) ?
O12 Pb1 2_664 2.626(7) ?
C6 C5 . 1.35(2) ?
C6 C7 . 1.398(17) ?
C6 H6 . 0.9300 ?
C7 C1 . 1.419(15) ?
C7 H7 . 0.9300 ?
C1 C2 . 1.488(15) ?
C2 O2 . 1.237(13) ?
C2 C3 . 1.419(17) ?
C12 C13 . 1.418(14) ?
C12 C11 . 1.432(13) ?
C11 C17 . 1.416(14) ?
C3 C4 . 1.372(18) ?
C3 H3 . 0.9300 ?
C5 C4 . 1.43(2) ?
C5 H5 . 0.9300 ?
C4 C8 . 1.52(2) ?
C17 C16 . 1.375(17) ?
C17 H27 . 0.9300 ?
C14 C15 . 1.384(17) ?
C14 C13 . 1.396(15) ?
C14 C18 . 1.538(19) ?
C13 H23 . 0.9300 ?
C15 C16 . 1.37(2) ?
C15 H25 . 0.9300 ?
C18 C20B . 1.495(18) ?
C18 C19A . 1.496(18) ?
C18 C19B . 1.529(19) ?
C18 C20A . 1.539(17) ?
C18 H18 . 0.9800 ?
C16 H26 . 0.9300 ?
C8 C9A . 1.509(16) ?
C8 C10A . 1.518(17) ?
C8 C10B . 1.526(19) ?
C8 C9B . 1.534(19) ?
C8 H8 . 0.9800 ?
C9A H9A . 0.9600 ?
C9A H9B . 0.9600 ?
C9A H9C . 0.9600 ?
C10A H10A . 0.9600 ?
C10A H10B . 0.9600 ?
C10A H10C . 0.9600 ?
C9B H9D . 0.9600 ?
C9B H9E . 0.9600 ?
C9B H9F . 0.9600 ?
C10B H10D . 0.9600 ?
C10B H10E . 0.9600 ?
C10B H10F . 0.9600 ?
C19A H19A . 0.9600 ?
C19A H19B . 0.9600 ?
C19A H19C . 0.9600 ?
C20A H20A . 0.9600 ?
C20A H20B . 0.9600 ?
C20A H20C . 0.9600 ?
C19B H19D . 0.9600 ?
C19B H19E . 0.9600 ?
C19B H19F . 0.9600 ?
C20B H20D . 0.9600 ?
C20B H20E . 0.9600 ?
C20B H20F . 0.9600 ?
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
O11 Pb1 O1 C1 . . . . 92.9(8) ?
O12 Pb1 O1 C1 . . . . 158.1(8) ?
O2 Pb1 O1 C1 . . . . 12.7(7) ?
O12 Pb1 O1 C1 2_665 . . . 25.7(10) ?
O12 Pb1 O11 C11 . . . . 11.0(7) ?
O1 Pb1 O11 C11 . . . . 84.0(7) ?
O2 Pb1 O11 C11 . . . . 147.2(7) ?
O12 Pb1 O11 C11 2_665 . . . -134.3(7) ?
O11 Pb1 O12 C12 . . . . -13.3(7) ?
O1 Pb1 O12 C12 . . . . -114.3(7) ?
O2 Pb1 O12 C12 . . . . -73.9(8) ?
O12 Pb1 O12 C12 2_665 . . . 29.5(7) ?
O11 Pb1 O12 Pb1 . . . 2_664 137.0(4) ?
O1 Pb1 O12 Pb1 . . . 2_664 36.0(3) ?
O2 Pb1 O12 Pb1 . . . 2_664 76.4(4) ?
O12 Pb1 O12 Pb1 2_665 . . 2_664 179.8(3) ?
C5 C6 C7 C1 . . . . -2(2) ?
Pb1 O1 C1 C7 . . . . 163.2(7) ?
Pb1 O1 C1 C2 . . . . -14.9(12) ?
C6 C7 C1 O1 . . . . 176.5(11) ?
C6 C7 C1 C2 . . . . -5.5(19) ?
O1 C1 C2 O2 . . . . 5.4(16) ?
C7 C1 C2 O2 . . . . -172.6(11) ?
O1 C1 C2 C3 . . . . -171.2(11) ?
C7 C1 C2 C3 . . . . 10.9(18) ?
Pb1 O12 C12 C13 . . . . -167.3(7) ?
Pb1 O12 C12 C13 2_664 . . . 49.7(13) ?
Pb1 O12 C12 C11 . . . . 14.6(11) ?
Pb1 O12 C12 C11 2_664 . . . -128.3(8) ?
Pb1 O11 C11 C17 . . . . 169.3(7) ?
Pb1 O11 C11 C12 . . . . -8.1(11) ?
O12 C12 C11 O11 . . . . -5.0(13) ?
C13 C12 C11 O11 . . . . 177.3(10) ?
O12 C12 C11 C17 . . . . 177.9(10) ?
C13 C12 C11 C17 . . . . 0.1(16) ?
O2 C2 C3 C4 . . . . 176.4(17) ?
C1 C2 C3 C4 . . . . -7(3) ?
C7 C6 C5 C4 . . . . 2(3) ?
C2 C3 C4 C5 . . . . -1(3) ?
C2 C3 C4 C8 . . . . -179.4(16) ?
C6 C5 C4 C3 . . . . 3(3) ?
C6 C5 C4 C8 . . . . -178.6(15) ?
C3 C2 O2 Pb1 . . . . -176.8(9) ?
C1 C2 O2 Pb1 . . . . 6.5(14) ?
O11 Pb1 O2 C2 . . . . -108.3(10) ?
O12 Pb1 O2 C2 . . . . -54.3(10) ?
O1 Pb1 O2 C2 . . . . -9.8(9) ?
O12 Pb1 O2 C2 2_665 . . . 178.6(10) ?
O11 C11 C17 C16 . . . . -176.5(13) ?
C12 C11 C17 C16 . . . . 0.7(19) ?
C15 C14 C13 C12 . . . . 1(2) ?
C18 C14 C13 C12 . . . . 177.0(12) ?
O12 C12 C13 C14 . . . . -178.3(12) ?
C11 C12 C13 C14 . . . . -1(2) ?
C13 C14 C15 C16 . . . . -2(2) ?
C18 C14 C15 C16 . . . . -178.0(16) ?
C15 C14 C18 C20B . . . . -106(3) ?
C13 C14 C18 C20B . . . . 78(3) ?
C15 C14 C18 C19A . . . . 100(2) ?
C13 C14 C18 C19A . . . . -76(2) ?
C15 C14 C18 C19B . . . . 125(3) ?
C13 C14 C18 C19B . . . . -51(3) ?
C15 C14 C18 C20A . . . . -132(2) ?
C13 C14 C18 C20A . . . . 52(3) ?
C14 C15 C16 C17 . . . . 3(3) ?
C11 C17 C16 C15 . . . . -2(3) ?
C3 C4 C8 C9A . . . . 51(2) ?
C5 C4 C8 C9A . . . . -127(2) ?
C3 C4 C8 C10A . . . . -77(2) ?
C5 C4 C8 C10A . . . . 104(2) ?
C3 C4 C8 C10B . . . . -59(4) ?
C5 C4 C8 C10B . . . . 122(3) ?
C3 C4 C8 C9B . . . . 66(3) ?
C5 C4 C8 C9B . . . . -113(3) ?
