#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:14:32 +0100 (vie 25 de mar de 2016) $
#$Revision: 179805 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/01/7010183.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_7010183
loop_
_publ_author_name
'Ólafsson, Sigurjón Norberg'
'Flensburg, Claus'
'Andersen, Peter'
_publ_section_title
;
 Lead(IV) complexes with phosphinoyldithioformates, R2P(O)CS2−
 (R = Ph or PhCH2). Syntheses and characterization.
 Crystal structures of [PPh4][S2CP(O)Ph2]·0.5H2O,
 [PbPh2{S2CP(O)Ph2}2] and [PbPh2Cl{S2CP(O)Ph2}]
;
_journal_issue                   23
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4360
_journal_paper_doi               10.1039/b006672i
_journal_year                    2000
_chemical_formula_sum            'C38 H30 O2 P2 Pb S4'
_chemical_formula_weight         915.99
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.03(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.403(3)
_cell_length_b                   17.634(5)
_cell_length_c                   14.420(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    122(1)
_cell_measurement_theta_max      21.73
_cell_measurement_theta_min      19.25
_cell_volume                     3662.4(16)
_computing_cell_refinement       'NONIUS CAD4'
_computing_data_collection       'NONIUS CAD4'
_computing_data_reduction        'DREADD (Blessing, 1989)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      122(1)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       omega-2theta
_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  0.0752
_diffrn_reflns_av_sigmaI/netI    0.0659
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15143
_diffrn_reflns_theta_full        29.97
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        7.9
_diffrn_standards_interval_time  '10000 seconds'
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    4.955
_exptl_absorpt_correction_T_max  0.550
_exptl_absorpt_correction_T_min  0.368
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'ABSORB (DeTitta, 1985)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.883
_refine_diff_density_min         -2.061
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.220
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         10630
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0394
_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)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0964
_reflns_number_gt                8528
_reflns_number_total             10630
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b006672i.txt
_cod_data_source_block           1A
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_original_cell_volume        3662.3(16)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7010183
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb Pb 0.627697(10) 0.085929(8) 0.276471(10) 0.01966(5) Uani 1 1 d . . .
S1 S 0.73374(7) 0.17933(6) 0.17085(8) 0.0263(2) Uani 1 1 d . . .
S2 S 0.92945(8) 0.17014(8) 0.10395(8) 0.0328(3) Uani 1 1 d . . .
S3 S 0.50729(7) 0.17881(6) 0.18818(7) 0.0261(2) Uani 1 1 d . . .
S4 S 0.30930(8) 0.21634(8) 0.21930(10) 0.0382(3) Uani 1 1 d . . .
P1 P 0.87288(7) 0.07888(6) 0.26873(7) 0.0217(2) Uani 1 1 d . . .
P2 P 0.38286(7) 0.06813(6) 0.28947(7) 0.0215(2) Uani 1 1 d . . .
O1 O 0.7870(2) 0.05382(17) 0.31947(19) 0.0245(6) Uani 1 1 d . . .
O2 O 0.47410(19) 0.03266(16) 0.31609(19) 0.0225(6) Uani 1 1 d . . .
C1 C 0.8446(3) 0.1451(2) 0.1742(3) 0.0218(8) Uani 1 1 d . . .
C2 C 0.3999(3) 0.1602(3) 0.2324(3) 0.0250(8) Uani 1 1 d . . .
C11 C 0.6249(3) 0.1374(2) 0.4143(3) 0.0206(8) Uani 1 1 d . . .
C12 C 0.6688(3) 0.2059(2) 0.4283(3) 0.0294(9) Uani 1 1 d . . .
H12 H 0.6991 0.2310 0.3785 0.035 Uiso 1 1 calc R . .
C13 C 0.6681(3) 0.2377(3) 0.5165(3) 0.0328(10) Uani 1 1 d . . .
H13 H 0.6974 0.2852 0.5271 0.039 Uiso 1 1 calc R . .
C14 C 0.6247(3) 0.2002(3) 0.5889(3) 0.0316(10) Uani 1 1 d . . .
H14 H 0.6247 0.2218 0.6492 0.038 Uiso 1 1 calc R . .
C15 C 0.5814(3) 0.1315(3) 0.5734(3) 0.0330(10) Uani 1 1 d . . .
H15 H 0.5516 0.1060 0.6232 0.040 Uiso 1 1 calc R . .
C16 C 0.5814(3) 0.0994(3) 0.4858(3) 0.0310(10) Uani 1 1 d . . .
H16 H 0.5518 0.0521 0.4751 0.037 Uiso 1 1 calc R . .
C21 C 0.6302(3) -0.0123(2) 0.1867(3) 0.0247(8) Uani 1 1 d . . .
C22 C 0.6406(4) -0.0841(3) 0.2226(4) 0.0433(13) Uani 1 1 d . . .
H22 H 0.6489 -0.0908 0.2874 0.052 Uiso 1 1 calc R . .
C23 C 0.6389(4) -0.1465(3) 0.1643(5) 0.0526(15) Uani 1 1 d . . .
H23 H 0.6471 -0.1961 0.1888 0.063 Uiso 1 1 calc R . .
C24 C 0.6254(4) -0.1364(3) 0.0701(4) 0.0510(15) Uani 1 1 d . . .
H24 H 0.6252 -0.1791 0.0300 0.061 Uiso 1 1 calc R . .
C25 C 0.6124(5) -0.0657(3) 0.0348(4) 0.0521(15) Uani 1 1 d . . .
H25 H 0.6016 -0.0594 -0.0298 0.062 Uiso 1 1 calc R . .
C26 C 0.6148(4) -0.0025(3) 0.0929(3) 0.0400(12) Uani 1 1 d . . .
H26 H 0.6060 0.0469 0.0681 0.048 Uiso 1 1 calc R . .
C31 C 0.9319(3) -0.0011(2) 0.2203(3) 0.0276(9) Uani 1 1 d . . .
C32 C 0.9022(4) -0.0303(3) 0.1350(4) 0.0410(12) Uani 1 1 d . . .
H32 H 0.8589 -0.0032 0.0980 0.049 Uiso 1 1 calc R . .
C33 C 0.9374(5) -0.0998(3) 0.1056(5) 0.0540(16) Uani 1 1 d . . .
H33 H 0.9179 -0.1204 0.0479 0.065 Uiso 1 1 calc R . .
C34 C 0.9999(5) -0.1387(3) 0.1592(5) 0.0546(17) Uani 1 1 d . . .
H34 H 1.0228 -0.1864 0.1386 0.066 Uiso 1 1 calc R . .
C35 C 1.0297(4) -0.1099(3) 0.2416(4) 0.0502(15) Uani 1 1 d . . .
H35 H 1.0741 -0.1370 0.2773 0.060 Uiso 1 1 calc R . .
C36 C 0.9954(4) -0.0413(3) 0.2736(3) 0.0362(11) Uani 1 1 d . . .
H36 H 1.0152 -0.0219 0.3318 0.043 Uiso 1 1 calc R . .
C41 C 0.9481(3) 0.1292(2) 0.3453(3) 0.0217(8) Uani 1 1 d . . .
C42 C 1.0372(3) 0.1538(3) 0.3209(3) 0.0284(9) Uani 1 1 d . . .
H42 H 1.0608 0.1430 0.2609 0.034 Uiso 1 1 calc R . .
C43 C 1.0915(3) 0.1937(3) 0.3836(3) 0.0333(10) Uani 1 1 d . . .
H43 H 1.1521 0.2101 0.3672 0.040 Uiso 1 1 calc R . .
C44 C 1.0551(3) 0.2095(3) 0.4721(3) 0.0350(11) Uani 1 1 d . . .
H44 H 1.0916 0.2370 0.5154 0.042 Uiso 1 1 calc R . .
C45 C 0.9679(3) 0.1858(3) 0.4968(3) 0.0314(10) Uani 1 1 d . . .
H45 H 0.9448 0.1968 0.5570 0.038 Uiso 1 1 calc R . .
C46 C 0.9131(3) 0.1458(2) 0.4342(3) 0.0248(8) Uani 1 1 d . . .
H46 H 0.8526 0.1297 0.4513 0.030 Uiso 1 1 calc R . .
C51 C 0.3220(3) 0.0098(3) 0.2080(3) 0.0256(9) Uani 1 1 d . . .
C52 C 0.3666(3) -0.0550(3) 0.1759(3) 0.0319(10) Uani 1 1 d . . .
H52 H 0.4272 -0.0672 0.1972 0.038 Uiso 1 1 calc R . .
C53 C 0.3216(4) -0.1019(3) 0.1122(4) 0.0424(13) Uani 1 1 d . . .
H53 H 0.3515 -0.1466 0.0904 0.051 Uiso 1 1 calc R . .
C54 C 0.2351(4) -0.0840(3) 0.0810(4) 0.0474(14) Uani 1 1 d . . .
H54 H 0.2052 -0.1164 0.0376 0.057 Uiso 1 1 calc R . .
C55 C 0.1903(4) -0.0199(4) 0.1115(4) 0.0457(14) Uani 1 1 d . . .
H55 H 0.1298 -0.0083 0.0894 0.055 Uiso 1 1 calc R . .
C56 C 0.2338(3) 0.0280(3) 0.1748(3) 0.0345(11) Uani 1 1 d . . .
H56 H 0.2036 0.0728 0.1953 0.041 Uiso 1 1 calc R . .
C61 C 0.3115(3) 0.0837(2) 0.3889(3) 0.0232(8) Uani 1 1 d . . .
C62 C 0.3370(3) 0.1403(3) 0.4518(3) 0.0280(9) Uani 1 1 d . . .
H62 H 0.3863 0.1741 0.4373 0.034 Uiso 1 1 calc R . .
C63 C 0.2901(3) 0.1471(3) 0.5356(3) 0.0318(10) Uani 1 1 d . . .
H63 H 0.3073 0.1856 0.5784 0.038 Uiso 1 1 calc R . .
C64 C 0.2188(4) 0.0981(3) 0.5569(3) 0.0348(11) Uani 1 1 d . . .
H64 H 0.1873 0.1028 0.6145 0.042 Uiso 1 1 calc R . .
C65 C 0.1927(3) 0.0421(3) 0.4951(3) 0.0319(10) Uani 1 1 d . . .
H65 H 0.1430 0.0089 0.5101 0.038 Uiso 1 1 calc R . .
C66 C 0.2387(3) 0.0343(2) 0.4113(3) 0.0274(9) Uani 1 1 d . . .
H66 H 0.2210 -0.0045 0.3691 0.033 Uiso 1 1 calc R . .
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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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
C21 Pb C11 151.31(16) . . ?
C21 Pb O1 87.17(13) . . ?
C11 Pb O1 83.29(12) . . ?
C21 Pb O2 81.31(13) . . ?
C11 Pb O2 86.01(12) . . ?
O1 Pb O2 133.96(10) . . ?
C21 Pb S3 102.36(12) . . ?
C11 Pb S3 99.48(11) . . ?
O1 Pb S3 149.56(7) . . ?
O2 Pb S3 76.41(7) . . ?
C21 Pb S1 98.08(12) . . ?
C11 Pb S1 105.62(11) . . ?
O1 Pb S1 75.78(7) . . ?
O2 Pb S1 149.84(7) . . ?
S3 Pb S1 74.29(3) . . ?
C1 S1 Pb 107.22(14) . . ?
C2 S3 Pb 106.81(15) . . ?
O1 P1 C41 110.16(18) . . ?
O1 P1 C31 110.47(19) . . ?
C41 P1 C31 110.2(2) . . ?
O1 P1 C1 111.38(18) . . ?
C41 P1 C1 106.07(19) . . ?
C31 P1 C1 108.5(2) . . ?
O2 P2 C61 111.22(18) . . ?
O2 P2 C51 110.85(19) . . ?
C61 P2 C51 109.45(19) . . ?
O2 P2 C2 111.41(18) . . ?
C61 P2 C2 107.5(2) . . ?
C51 P2 C2 106.18(19) . . ?
P1 O1 Pb 125.53(16) . . ?
P2 O2 Pb 124.39(16) . . ?
S2 C1 S1 125.6(3) . . ?
S2 C1 P1 117.4(2) . . ?
S1 C1 P1 116.9(2) . . ?
S4 C2 S3 124.0(3) . . ?
S4 C2 P2 118.5(2) . . ?
S3 C2 P2 117.3(2) . . ?
C12 C11 C16 121.6(4) . . ?
C12 C11 Pb 119.2(3) . . ?
C16 C11 Pb 119.2(3) . . ?
C11 C12 C13 118.9(4) . . ?
C14 C13 C12 120.0(4) . . ?
C15 C14 C13 120.1(4) . . ?
C14 C15 C16 120.4(4) . . ?
C11 C16 C15 119.0(4) . . ?
C22 C21 C26 120.1(4) . . ?
C22 C21 Pb 120.9(3) . . ?
C26 C21 Pb 118.9(3) . . ?
C21 C22 C23 120.0(5) . . ?
C24 C23 C22 119.7(5) . . ?
C25 C24 C23 120.4(5) . . ?
C24 C25 C26 120.3(5) . . ?
C21 C26 C25 119.4(5) . . ?
C36 C31 C32 120.0(4) . . ?
C36 C31 P1 120.0(4) . . ?
C32 C31 P1 119.2(4) . . ?
C33 C32 C31 118.7(5) . . ?
C34 C33 C32 120.6(6) . . ?
C35 C34 C33 120.7(5) . . ?
C34 C35 C36 120.3(6) . . ?
C35 C36 C31 119.7(5) . . ?
C42 C41 C46 119.5(4) . . ?
C42 C41 P1 123.8(3) . . ?
C46 C41 P1 116.7(3) . . ?
C43 C42 C41 120.7(4) . . ?
C42 C43 C44 118.8(4) . . ?
C45 C44 C43 121.2(4) . . ?
C44 C45 C46 120.3(4) . . ?
C45 C46 C41 119.5(4) . . ?
C52 C51 C56 119.7(4) . . ?
C52 C51 P2 117.7(3) . . ?
C56 C51 P2 122.6(4) . . ?
C51 C52 C53 119.5(5) . . ?
C54 C53 C52 120.2(5) . . ?
C53 C54 C55 121.1(5) . . ?
C54 C55 C56 119.8(5) . . ?
C55 C56 C51 119.7(5) . . ?
C62 C61 C66 119.4(4) . . ?
C62 C61 P2 118.6(3) . . ?
C66 C61 P2 121.4(3) . . ?
C63 C62 C61 119.8(4) . . ?
C64 C63 C62 120.2(4) . . ?
C63 C64 C65 120.5(4) . . ?
C64 C65 C66 120.2(4) . . ?
C65 C66 C61 119.9(4) . . ?
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
Pb C21 2.163(4) . ?
Pb C11 2.185(4) . ?
Pb O1 2.443(3) . ?
Pb O2 2.471(3) . ?
Pb S3 2.7035(12) . ?
Pb S1 2.7143(12) . ?
S1 C1 1.707(4) . ?
S2 C1 1.648(4) . ?
S3 C2 1.705(4) . ?
S4 C2 1.649(5) . ?
P1 O1 1.504(3) . ?
P1 C41 1.783(4) . ?
P1 C31 1.789(4) . ?
P1 C1 1.841(4) . ?
P2 O2 1.505(3) . ?
P2 C61 1.786(4) . ?
P2 C51 1.791(4) . ?
P2 C2 1.836(4) . ?
C11 C12 1.379(6) . ?
C11 C16 1.380(6) . ?
C12 C13 1.390(6) . ?
C13 C14 1.385(7) . ?
C14 C15 1.381(7) . ?
C15 C16 1.383(6) . ?
C21 C22 1.376(7) . ?
C21 C26 1.382(6) . ?
C22 C23 1.386(7) . ?
C23 C24 1.382(9) . ?
C24 C25 1.360(9) . ?
C25 C26 1.395(7) . ?
C31 C36 1.389(7) . ?
C31 C32 1.400(7) . ?
C32 C33 1.392(7) . ?
C33 C34 1.371(9) . ?
C34 C35 1.361(9) . ?
C35 C36 1.386(7) . ?
C41 C42 1.401(6) . ?
C41 C46 1.408(6) . ?
C42 C43 1.386(6) . ?
C43 C44 1.407(7) . ?
C44 C45 1.371(7) . ?
C45 C46 1.392(6) . ?
C51 C52 1.390(7) . ?
C51 C56 1.394(6) . ?
C52 C53 1.396(6) . ?
C53 C54 1.362(8) . ?
C54 C55 1.373(8) . ?
C55 C56 1.393(7) . ?
C61 C62 1.398(6) . ?
C61 C66 1.400(6) . ?
C62 C63 1.390(6) . ?
C63 C64 1.377(7) . ?
C64 C65 1.382(7) . ?
C65 C66 1.386(6) . ?
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
C21 Pb S1 C1 -70.01(18) . . . . ?
C11 Pb S1 C1 93.67(18) . . . . ?
O1 Pb S1 C1 14.97(16) . . . . ?
O2 Pb S1 C1 -156.61(19) . . . . ?
S3 Pb S1 C1 -170.65(15) . . . . ?
C21 Pb S3 C2 91.38(19) . . . . ?
C11 Pb S3 C2 -69.89(19) . . . . ?
O1 Pb S3 C2 -162.8(2) . . . . ?
O2 Pb S3 C2 13.62(17) . . . . ?
S1 Pb S3 C2 -173.58(16) . . . . ?
C41 P1 O1 Pb 122.6(2) . . . . ?
C31 P1 O1 Pb -115.4(2) . . . . ?
C1 P1 O1 Pb 5.2(3) . . . . ?
C21 Pb O1 P1 87.1(2) . . . . ?
C11 Pb O1 P1 -120.0(2) . . . . ?
O2 Pb O1 P1 162.17(17) . . . . ?
S3 Pb O1 P1 -22.7(3) . . . . ?
S1 Pb O1 P1 -11.97(18) . . . . ?
C61 P2 O2 Pb -124.8(2) . . . . ?
C51 P2 O2 Pb 113.2(2) . . . . ?
C2 P2 O2 Pb -4.8(3) . . . . ?
C21 Pb O2 P2 -110.1(2) . . . . ?
C11 Pb O2 P2 95.7(2) . . . . ?
O1 Pb O2 P2 172.44(15) . . . . ?
S3 Pb O2 P2 -5.03(17) . . . . ?
S1 Pb O2 P2 -18.9(3) . . . . ?
Pb S1 C1 S2 165.7(2) . . . . ?
Pb S1 C1 P1 -18.1(3) . . . . ?
O1 P1 C1 S2 -172.9(2) . . . . ?
C41 P1 C1 S2 67.2(3) . . . . ?
C31 P1 C1 S2 -51.2(3) . . . . ?
O1 P1 C1 S1 10.5(3) . . . . ?
C41 P1 C1 S1 -109.4(2) . . . . ?
C31 P1 C1 S1 132.3(2) . . . . ?
Pb S3 C2 S4 164.2(2) . . . . ?
Pb S3 C2 P2 -21.0(3) . . . . ?
O2 P2 C2 S4 -166.4(2) . . . . ?
C61 P2 C2 S4 -44.3(3) . . . . ?
C51 P2 C2 S4 72.8(3) . . . . ?
O2 P2 C2 S3 18.5(3) . . . . ?
C61 P2 C2 S3 140.6(2) . . . . ?
C51 P2 C2 S3 -102.3(3) . . . . ?
C21 Pb C11 C12 147.5(3) . . . . ?
O1 Pb C11 C12 76.1(3) . . . . ?
O2 Pb C11 C12 -148.8(3) . . . . ?
S3 Pb C11 C12 -73.3(3) . . . . ?
S1 Pb C11 C12 2.9(3) . . . . ?
C21 Pb C11 C16 -30.7(5) . . . . ?
O1 Pb C11 C16 -102.1(3) . . . . ?
O2 Pb C11 C16 33.0(3) . . . . ?
S3 Pb C11 C16 108.5(3) . . . . ?
S1 Pb C11 C16 -175.3(3) . . . . ?
C16 C11 C12 C13 -0.8(7) . . . . ?
Pb C11 C12 C13 -179.0(3) . . . . ?
C11 C12 C13 C14 0.8(7) . . . . ?
C12 C13 C14 C15 -0.5(7) . . . . ?
C13 C14 C15 C16 0.2(7) . . . . ?
C12 C11 C16 C15 0.5(7) . . . . ?
Pb C11 C16 C15 178.7(3) . . . . ?
C14 C15 C16 C11 -0.2(7) . . . . ?
C11 Pb C21 C22 -7.2(6) . . . . ?
O1 Pb C21 C22 63.3(4) . . . . ?
O2 Pb C21 C22 -72.0(4) . . . . ?
S3 Pb C21 C22 -145.9(4) . . . . ?
S1 Pb C21 C22 138.5(4) . . . . ?
C11 Pb C21 C26 168.5(3) . . . . ?
O1 Pb C21 C26 -121.1(4) . . . . ?
O2 Pb C21 C26 103.7(4) . . . . ?
S3 Pb C21 C26 29.7(4) . . . . ?
S1 Pb C21 C26 -45.9(4) . . . . ?
C26 C21 C22 C23 2.3(8) . . . . ?
Pb C21 C22 C23 177.9(4) . . . . ?
C21 C22 C23 C24 -1.0(9) . . . . ?
C22 C23 C24 C25 -1.0(10) . . . . ?
C23 C24 C25 C26 1.6(10) . . . . ?
C22 C21 C26 C25 -1.6(8) . . . . ?
Pb C21 C26 C25 -177.3(4) . . . . ?
C24 C25 C26 C21 -0.3(9) . . . . ?
O1 P1 C31 C36 -86.3(4) . . . . ?
C41 P1 C31 C36 35.7(4) . . . . ?
C1 P1 C31 C36 151.4(4) . . . . ?
O1 P1 C31 C32 82.8(4) . . . . ?
C41 P1 C31 C32 -155.2(4) . . . . ?
C1 P1 C31 C32 -39.5(4) . . . . ?
C36 C31 C32 C33 0.1(8) . . . . ?
P1 C31 C32 C33 -169.0(4) . . . . ?
C31 C32 C33 C34 0.0(9) . . . . ?
C32 C33 C34 C35 -0.8(10) . . . . ?
C33 C34 C35 C36 1.5(9) . . . . ?
C34 C35 C36 C31 -1.4(8) . . . . ?
C32 C31 C36 C35 0.6(7) . . . . ?
P1 C31 C36 C35 169.6(4) . . . . ?
O1 P1 C41 C42 173.9(3) . . . . ?
C31 P1 C41 C42 51.8(4) . . . . ?
C1 P1 C41 C42 -65.4(4) . . . . ?
O1 P1 C41 C46 -7.4(4) . . . . ?
C31 P1 C41 C46 -129.5(3) . . . . ?
C1 P1 C41 C46 113.3(3) . . . . ?
C46 C41 C42 C43 0.4(6) . . . . ?
P1 C41 C42 C43 179.0(4) . . . . ?
C41 C42 C43 C44 -0.4(7) . . . . ?
C42 C43 C44 C45 0.3(7) . . . . ?
C43 C44 C45 C46 -0.4(7) . . . . ?
C44 C45 C46 C41 0.4(7) . . . . ?
C42 C41 C46 C45 -0.4(6) . . . . ?
P1 C41 C46 C45 -179.1(3) . . . . ?
O2 P2 C51 C52 -4.2(4) . . . . ?
C61 P2 C51 C52 -127.2(3) . . . . ?
C2 P2 C51 C52 117.0(4) . . . . ?
O2 P2 C51 C56 177.3(4) . . . . ?
C61 P2 C51 C56 54.3(4) . . . . ?
C2 P2 C51 C56 -61.5(4) . . . . ?
C56 C51 C52 C53 -1.3(7) . . . . ?
P2 C51 C52 C53 -179.9(4) . . . . ?
C51 C52 C53 C54 0.6(8) . . . . ?
C52 C53 C54 C55 -0.1(8) . . . . ?
C53 C54 C55 C56 0.3(9) . . . . ?
C54 C55 C56 C51 -1.1(8) . . . . ?
C52 C51 C56 C55 1.6(7) . . . . ?
P2 C51 C56 C55 -180.0(4) . . . . ?
O2 P2 C61 C62 70.6(4) . . . . ?
C51 P2 C61 C62 -166.6(3) . . . . ?
C2 P2 C61 C62 -51.6(4) . . . . ?
O2 P2 C61 C66 -100.7(4) . . . . ?
C51 P2 C61 C66 22.2(4) . . . . ?
C2 P2 C61 C66 137.1(4) . . . . ?
C66 C61 C62 C63 -0.1(6) . . . . ?
P2 C61 C62 C63 -171.5(3) . . . . ?
C61 C62 C63 C64 0.2(7) . . . . ?
C62 C63 C64 C65 -0.4(7) . . . . ?
C63 C64 C65 C66 0.6(7) . . . . ?
C64 C65 C66 C61 -0.5(7) . . . . ?
C62 C61 C66 C65 0.3(6) . . . . ?
P2 C61 C66 C65 171.5(3) . . . . ?
