# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_pb
_database_code_depnum_ccdc_archive 'CCDC 1505488'
_audit_update_record             
;
2016-09-21 deposited with the CCDC.
2017-05-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H24 O11 Pb2 S3'
_chemical_formula_weight         998.99

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   32.541(3)
_cell_length_b                   10.2204(8)
_cell_length_c                   8.0517(7)
_cell_angle_alpha                90
_cell_angle_beta                 92.954(2)
_cell_angle_gamma                90
_cell_volume                     2674.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9892
_cell_measurement_theta_min      2.88
_cell_measurement_theta_max      27.57

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.481
_exptl_crystal_F_000             1872
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    12.870
_shelx_estimated_absorpt_T_min   0.129
_shelx_estimated_absorpt_T_max   0.205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.876
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14484
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.884
_diffrn_reflns_theta_max         27.565
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             3208
_reflns_number_gt                3002
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1491P)²+64.9865P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3208
_refine_ls_number_parameters     229
_refine_ls_number_restraints     96
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0611
_refine_ls_wR_factor_ref         0.2060
_refine_ls_wR_factor_gt          0.2014
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.63088(2) 1.0000 0.75758(6) 0.0256(2) Uani 1 2 d S T P A .
Pb2 Pb 0.35417(2) 1.0000 -0.26376(6) 0.0213(2) Uani 1 2 d S T P . .
S1 S 0.2638(2) 1.1106(8) -0.1266(9) 0.0434(14) Uani 0.5 1 d . U P . .
S2 S 0.7326(3) 0.8979(13) 0.6296(12) 0.074(2) Uani 0.5 1 d . U P A .
S3 S 0.5317(2) 1.0000 0.6090(10) 0.0294(14) Uani 0.5 2 d S TU P A 1
S3' S 0.5227(3) 1.0000 0.9077(11) 0.0376(17) Uani 0.5 2 d S TU P A 2
O1 O 0.6545(3) 0.7442(8) 0.6939(12) 0.042(2) Uani 1 1 d . . . . .
O2 O 0.6080(3) 0.8501(7) 0.5372(11) 0.0333(18) Uani 1 1 d . . . . .
O3 O 0.3883(3) 0.8512(7) -0.0608(11) 0.0339(18) Uani 1 1 d . . . . .
O4 O 0.3389(3) 0.7427(8) -0.2017(11) 0.0365(19) Uani 1 1 d . . . . .
O5 O 0.2941(4) 1.0000 -0.0898(19) 0.043(3) Uani 1 2 d S T P . .
O6 O 0.5551(4) 1.0000 0.7661(16) 0.043(3) Uani 1 2 d S T P . .
O7 O 0.7011(4) 1.0000 0.570(2) 0.068(5) Uani 1 2 d S T P . .
C1 C 0.6256(3) 0.7456(9) 0.5903(12) 0.0225(19) Uani 1 1 d . . . . .
C2 C 0.6069(3) 0.6181(8) 0.5273(11) 0.0161(16) Uani 1 1 d . . . . .
C3 C 0.6253(4) 0.5000 0.5793(17) 0.019(3) Uani 1 2 d S T P . .
H3 H 0.6499 0.5000 0.6487 0.023 Uiso 1 2 calc R U P . .
C4 C 0.5717(3) 0.6177(10) 0.4241(12) 0.0220(19) Uani 1 1 d . . . . .
H4 H 0.5605 0.6983 0.3843 0.026 Uiso 1 1 calc R U . . .
C5 C 0.5525(4) 0.5000 0.3774(18) 0.021(3) Uani 1 2 d S T P . .
C6 C 0.5141(5) 0.5000 0.2798(19) 0.023(3) Uani 1 2 d S T P . .
C7 C 0.4814(5) 0.5000 0.2065(19) 0.025(3) Uani 1 2 d S T P . .
C8 C 0.4424(4) 0.5000 0.1083(17) 0.019(2) Uani 1 2 d S T P . .
C9 C 0.4250(3) 0.6179(10) 0.0587(12) 0.0213(18) Uani 1 1 d . . . . .
H9 H 0.4375 0.6979 0.0939 0.026 Uiso 1 1 calc R U . . .
C10 C 0.3892(3) 0.6189(8) -0.0427(11) 0.0166(17) Uani 1 1 d . . . . .
C11 C 0.3710(4) 0.5000 -0.0975(16) 0.019(2) Uani 1 2 d S T P . .
H11 H 0.3470 0.5000 -0.1698 0.023 Uiso 1 2 calc R U P . .
C12 C 0.3703(3) 0.7452(10) -0.1065(12) 0.0218(19) Uani 1 1 d . . . . .
C13 C 0.2643(9) 1.213(3) 0.054(4) 0.052(5) Uani 0.5 1 d . U P . .
H13A H 0.2914 1.2462 0.0393 0.078 Uiso 0.5 1 d R U P . .
H13B H 0.2633 1.1218 0.0243 0.078 Uiso 0.5 1 d R U P . .
H13C H 0.2577 1.2225 0.1681 0.078 Uiso 0.5 1 d R U P . .
C14 C 0.2159(8) 1.0000 -0.094(3) 0.063(4) Uani 1 2 d S TU P . .
H14A H 0.2085 0.9444 -0.1787 0.076 Uiso 0.5 1 d R U P . .
H14B H 0.2200 0.9644 0.0111 0.076 Uiso 0.5 1 d R U P . .
H14C H 0.1942 1.0710 -0.0881 0.076 Uiso 0.5 1 d R U P . .
C15 C 0.7377(12) 0.779(4) 0.465(5) 0.073(5) Uani 0.5 1 d . U P . .
H15A H 0.7122 0.7564 0.5127 0.109 Uiso 0.5 1 d R U P A .
H15B H 0.7357 0.7617 0.3478 0.109 Uiso 0.5 1 d R U P . .
H15C H 0.7433 0.8704 0.4834 0.109 Uiso 0.5 1 d R U P . .
C17 C 0.4959(8) 1.129(3) 0.621(3) 0.042(4) Uani 0.5 1 d . U P A 1
H17A H 0.4729 1.0964 0.5538 0.062 Uiso 0.5 1 d R U P A 1
H17B H 0.5038 1.2131 0.5803 0.062 Uiso 0.5 1 d R U P A 1
H17C H 0.4883 1.1371 0.7342 0.062 Uiso 0.5 1 d R U P A 1
C17' C 0.4867(9) 1.130(3) 0.872(4) 0.045(4) Uani 0.5 1 d . U P A 2
H17D H 0.4651 1.1207 0.9479 0.068 Uiso 0.5 1 d R U P A 2
H17E H 0.4751 1.1272 0.7598 0.068 Uiso 0.5 1 d R U P A 2
H17F H 0.5005 1.2118 0.8911 0.068 Uiso 0.5 1 d R U P A 2
C16 C 0.7810 1.0000 0.5825 0.131 Uani 1 2 d S TU P . .
H16A H 0.7830 1.0682 0.6645 0.157 Uiso 0.5 1 d R U P A .
H16B H 0.8051 0.9457 0.5930 0.157 Uiso 0.5 1 d R U P . .
H16C H 0.7790 1.0382 0.4734 0.157 Uiso 0.5 1 d R U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.432(8) 6_575 ?
Pb1 O2 2.432(8) . ?
Pb1 O6 2.471(14) . ?
Pb1 O7 2.801(16) . ?
Pb2 O3 2.456(8) . ?
Pb2 O3 2.456(8) 6_575 ?
Pb2 O5 2.462(14) . ?
Pb2 O4 2.727(8) . ?
Pb2 O4 2.727(8) 6_575 ?
S1 O5 1.518(11) . ?
S1 C13 1.79(3) . ?
S1 C14 1.96(2) . ?
S1 C13 2.12(3) 7_575 ?
S1 S1 2.260(16) 6_575 ?
S1 H13B 1.2212 . ?
S2 O7 1.524(14) . ?
S2 C15 1.81(4) . ?
S2 C16 1.943(12) . ?
S2 S2 2.09(3) 6_575 ?
S2 C15 2.21(4) 7_666 ?
S2 H15A 1.8308 . ?
S2 H15C 1.2758 . ?
S3 O6 1.442(15) . ?
S3 C17 1.77(3) . ?
S3 C17 1.77(3) 6_575 ?
S3' O6 1.591(16) . ?
S3' C17' 1.79(3) 6_575 ?
S3' C17' 1.79(3) . ?
S3' S3' 2.151(17) 5_677 ?
S3' C17' 2.25(3) 2_657 ?
S3' C17' 2.25(3) 5_677 ?
O1 C1 1.225(13) . ?
O2 C1 1.275(12) . ?
O3 C12 1.276(12) . ?
O4 C12 1.246(13) . ?
O5 S1 1.518(11) 6_575 ?
O7 S2 1.524(14) 6_575 ?
C1 C2 1.514(12) . ?
C2 C4 1.380(13) . ?
C2 C3 1.402(10) . ?
C3 C2 1.402(10) 6_565 ?
C3 H3 0.9500 . ?
C4 C5 1.399(12) . ?
C4 H4 0.9500 . ?
C5 C4 1.399(12) 6_565 ?
C5 C6 1.440(19) . ?
C6 C7 1.19(2) . ?
C7 C8 1.46(2) . ?
C8 C9 1.381(12) . ?
C8 C9 1.381(12) 6_565 ?
C9 C10 1.387(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.413(11) . ?
C10 C12 1.508(13) . ?
C11 C10 1.413(11) 6_565 ?
C11 H11 0.9500 . ?
C13 C13 1.45(6) 7_575 ?
C13 S1 2.12(3) 7_575 ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 S1 1.96(2) 6_575 ?
C14 H14A 0.9117 . ?
C14 H14B 0.9230 . ?
C14 H14C 1.0152 . ?
C15 C15 1.13(7) 7_666 ?
C15 S2 2.21(4) 7_666 ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C17 C17 1.98(5) 2_656 ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17' S3' 2.25(3) 5_677 ?
C17' H17D 0.9600 . ?
C17' H17E 0.9600 . ?
C17' H17F 0.9600 . ?
C16 S2 1.943(12) 6_575 ?
C16 H16A 0.9600 . ?
C16 H16B 0.9610 . ?
C16 H16C 0.9604 . ?

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 O2 78.1(4) 6_575 . ?
O2 Pb1 O6 75.6(3) 6_575 . ?
O2 Pb1 O6 75.6(3) . . ?
O2 Pb1 O7 80.5(3) 6_575 . ?
O2 Pb1 O7 80.5(3) . . ?
O6 Pb1 O7 149.0(5) . . ?
O3 Pb2 O3 76.5(4) . 6_575 ?
O3 Pb2 O5 88.1(3) . . ?
O3 Pb2 O5 88.1(3) 6_575 . ?
O3 Pb2 O4 50.3(2) . . ?
O3 Pb2 O4 123.8(3) 6_575 . ?
O5 Pb2 O4 74.8(2) . . ?
O3 Pb2 O4 123.8(3) . 6_575 ?
O3 Pb2 O4 50.3(2) 6_575 6_575 ?
O5 Pb2 O4 74.9(2) . 6_575 ?
O4 Pb2 O4 149.3(4) . 6_575 ?
O5 S1 C13 107.3(12) . . ?
O5 S1 C14 93.3(7) . . ?
C13 S1 C14 101.5(13) . . ?
O5 S1 C13 149.9(11) . 7_575 ?
C13 S1 C13 42.6(16) . 7_575 ?
C14 S1 C13 95.5(10) . 7_575 ?
O5 S1 S1 41.9(5) . 6_575 ?
C13 S1 S1 125.7(11) . 6_575 ?
C14 S1 S1 54.7(5) . 6_575 ?
C13 S1 S1 148.4(9) 7_575 6_575 ?
O5 S1 H13B 85.3 . . ?
C13 S1 H13B 30.3 . . ?
C14 S1 H13B 82.4 . . ?
C13 S1 H13B 67.5 7_575 . ?
S1 S1 H13B 95.4 6_575 . ?
O7 S2 C15 108.3(14) . . ?
O7 S2 C16 96.3(8) . . ?
C15 S2 C16 96.4(15) . . ?
O7 S2 S2 46.8(6) . 6_575 ?
C15 S2 S2 132.1(14) . 6_575 ?
C16 S2 S2 57.5(3) . 6_575 ?
O7 S2 C15 138.9(13) . 7_666 ?
C15 S2 C15 31(2) . 7_666 ?
C16 S2 C15 89.9(12) . 7_666 ?
S2 S2 C15 145.1(12) 6_575 7_666 ?
O7 S2 H15A 99.1 . . ?
C15 S2 H15A 30.6 . . ?
C16 S2 H15A 126.9 . . ?
S2 S2 H15A 142.1 6_575 . ?
C15 S2 H15A 47.8 7_666 . ?
O7 S2 H15C 94.1 . . ?
C15 S2 H15C 30.4 . . ?
C16 S2 H15C 71.2 . . ?
S2 S2 H15C 102.7 6_575 . ?
C15 S2 H15C 49.9 7_666 . ?
H15A S2 H15C 57.3 . . ?
O6 S3 C17 105.7(10) . . ?
O6 S3 C17 105.7(10) . 6_575 ?
C17 S3 C17 96.6(19) . 6_575 ?
O6 S3' C17' 109.7(11) . 6_575 ?
O6 S3' C17' 109.8(10) . . ?
C17' S3' C17' 96(2) 6_575 . ?
O6 S3' S3' 177.9(9) . 5_677 ?
C17' S3' S3' 69.0(10) 6_575 5_677 ?
C17' S3' S3' 69.0(10) . 5_677 ?
O6 S3' C17' 133.4(8) . 2_657 ?
C17' S3' C17' 116.8(10) 6_575 2_657 ?
C17' S3' C17' 64.8(16) . 2_657 ?
S3' S3' C17' 47.8(8) 5_677 2_657 ?
O6 S3' C17' 133.4(8) . 5_677 ?
C17' S3' C17' 64.8(16) 6_575 5_677 ?
C17' S3' C17' 116.8(10) . 5_677 ?
S3' S3' C17' 47.8(8) 5_677 5_677 ?
C17' S3' C17' 72.3(15) 2_657 5_677 ?
C1 O2 Pb1 99.6(6) . . ?
C12 O3 Pb2 98.6(6) . . ?
C12 O4 Pb2 86.7(6) . . ?
S1 O5 S1 96.2(10) 6_575 . ?
S1 O5 Pb2 114.5(7) 6_575 . ?
S1 O5 Pb2 114.5(7) . . ?
S3 O6 Pb1 117.2(8) . . ?
S3' O6 Pb1 135.9(8) . . ?
S2 O7 S2 86.5(13) 6_575 . ?
S2 O7 Pb1 112.7(9) 6_575 . ?
S2 O7 Pb1 112.7(9) . . ?
O1 C1 O2 123.7(9) . . ?
O1 C1 C2 119.9(9) . . ?
O2 C1 C2 116.3(8) . . ?
C4 C2 C3 120.4(9) . . ?
C4 C2 C1 120.7(8) . . ?
C3 C2 C1 118.9(8) . . ?
C2 C3 C2 118.8(11) . 6_565 ?
C2 C3 H3 120.6 . . ?
C2 C3 H3 120.6 6_565 . ?
C2 C4 C5 120.7(9) . . ?
C2 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C4 118.7(12) 6_565 . ?
C4 C5 C6 120.7(6) 6_565 . ?
C4 C5 C6 120.7(6) . . ?
C7 C6 C5 176.7(18) . . ?
C6 C7 C8 177.0(18) . . ?
C9 C8 C9 121.4(12) . 6_565 ?
C9 C8 C7 119.2(6) . . ?
C9 C8 C7 119.2(6) 6_565 . ?
C8 C9 C10 119.7(9) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C9 C10 C11 120.2(9) . . ?
C9 C10 C12 121.4(8) . . ?
C11 C10 C12 118.2(8) . . ?
C10 C11 C10 118.7(12) 6_565 . ?
C10 C11 H11 120.7 6_565 . ?
C10 C11 H11 120.7 . . ?
O4 C12 O3 122.9(9) . . ?
O4 C12 C10 119.9(9) . . ?
O3 C12 C10 117.2(8) . . ?
C13 C13 S1 81(3) 7_575 . ?
C13 C13 S1 56(2) 7_575 7_575 ?
S1 C13 S1 137.4(16) . 7_575 ?
C13 C13 H13A 107.6 7_575 . ?
S1 C13 H13A 94.4 . . ?
S1 C13 H13A 98.2 7_575 . ?
C13 C13 H13B 110.3 7_575 . ?
S1 C13 H13B 40.0 . . ?
S1 C13 H13B 152.2 7_575 . ?
H13A C13 H13B 109.5 . . ?
C13 C13 H13C 110.5 7_575 . ?
S1 C13 H13C 147.8 . . ?
S1 C13 H13C 61.7 7_575 . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
S1 C14 S1 70.6(9) . 6_575 ?
S1 C14 H14A 116.1 . . ?
S1 C14 H14A 73.7 6_575 . ?
S1 C14 H14B 105.8 . . ?
S1 C14 H14B 79.5 6_575 . ?
H14A C14 H14B 117.4 . . ?
S1 C14 H14C 98.9 . . ?
S1 C14 H14C 168.8 6_575 . ?
H14A C14 H14C 108.8 . . ?
H14B C14 H14C 108.0 . . ?
C15 C15 S2 94(5) 7_666 . ?
C15 C15 S2 55(4) 7_666 7_666 ?
S2 C15 S2 149(2) . 7_666 ?
C15 C15 H15A 106.3 7_666 . ?
S2 C15 H15A 75.9 . . ?
S2 C15 H15A 110.1 7_666 . ?
C15 C15 H15B 113.8 7_666 . ?
S2 C15 H15B 147.2 . . ?
S2 C15 H15B 61.1 7_666 . ?
H15A C15 H15B 109.5 . . ?
C15 C15 H15C 108.3 7_666 . ?
S2 C15 H15C 42.3 . . ?
S2 C15 H15C 140.1 7_666 . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
S3 C17 C17 79.8(13) . 2_656 ?
S3 C17 H17A 102.0 . . ?
C17 C17 H17A 65.5 2_656 . ?
S3 C17 H17B 117.4 . . ?
C17 C17 H17B 67.2 2_656 . ?
H17A C17 H17B 109.5 . . ?
S3 C17 H17C 108.7 . . ?
C17 C17 H17C 171.2 2_656 . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
S3' C17' S3' 63.2(10) . 5_677 ?
S3' C17' H17D 108.8 . . ?
S3' C17' H17D 46.0 5_677 . ?
S3' C17' H17E 110.8 . . ?
S3' C17' H17E 131.5 5_677 . ?
H17D C17' H17E 109.5 . . ?
S3' C17' H17F 108.9 . . ?
S3' C17' H17F 118.0 5_677 . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
S2 C16 S2 65.0(6) . 6_575 ?
S2 C16 H16A 106.4 . . ?
S2 C16 H16A 60.2 6_575 . ?
S2 C16 H16B 109.8 . . ?
S2 C16 H16B 163.6 6_575 . ?
H16A C16 H16B 109.4 . . ?
S2 C16 H16C 112.3 . . ?
S2 C16 H16C 86.7 6_575 . ?
H16A C16 H16C 109.4 . . ?
H16B C16 H16C 109.4 . . ?

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
C13 S1 O5 S1 124.6(13) . . . 6_575 ?
C14 S1 O5 S1 21.4(11) . . . 6_575 ?
C13 S1 O5 S1 128(2) 7_575 . . 6_575 ?
C13 S1 O5 Pb2 -114.9(13) . . . . ?
C14 S1 O5 Pb2 141.9(9) . . . . ?
C13 S1 O5 Pb2 -111(2) 7_575 . . . ?
S1 S1 O5 Pb2 120.6(12) 6_575 . . . ?
C17 S3 O6 Pb1 -129.1(10) . . . . ?
C17 S3 O6 Pb1 129.1(10) 6_575 . . . ?
C17' S3' O6 Pb1 -127.9(11) 6_575 . . . ?
C17' S3' O6 Pb1 127.9(11) . . . . ?
C17' S3' O6 Pb1 54.3(12) 2_657 . . . ?
C17' S3' O6 Pb1 -54.3(12) 5_677 . . . ?
C15 S2 O7 S2 -131.1(17) . . . 6_575 ?
C16 S2 O7 S2 -32.2(10) . . . 6_575 ?
C15 S2 O7 S2 -129(2) 7_666 . . 6_575 ?
C15 S2 O7 Pb1 115.8(17) . . . . ?
C16 S2 O7 Pb1 -145.3(5) . . . . ?
S2 S2 O7 Pb1 -113.1(11) 6_575 . . . ?
C15 S2 O7 Pb1 117(2) 7_666 . . . ?
Pb1 O2 C1 O1 -18.6(12) . . . . ?
Pb1 O2 C1 C2 157.2(7) . . . . ?
O1 C1 C2 C4 173.2(10) . . . . ?
O2 C1 C2 C4 -2.8(13) . . . . ?
O1 C1 C2 C3 -5.0(15) . . . . ?
O2 C1 C2 C3 179.0(11) . . . . ?
C4 C2 C3 C2 -1.2(19) . . . 6_565 ?
C1 C2 C3 C2 177.0(8) . . . 6_565 ?
C3 C2 C4 C5 3.7(16) . . . . ?
C1 C2 C4 C5 -174.4(10) . . . . ?
C2 C4 C5 C4 -6(2) . . . 6_565 ?
C2 C4 C5 C6 175.4(11) . . . . ?
C9 C8 C9 C10 0(2) 6_565 . . . ?
C7 C8 C9 C10 176.2(11) . . . . ?
C8 C9 C10 C11 -1.1(16) . . . . ?
C8 C9 C10 C12 -177.0(10) . . . . ?
C9 C10 C11 C10 2.0(18) . . . 6_565 ?
C12 C10 C11 C10 178.0(8) . . . 6_565 ?
Pb2 O4 C12 O3 12.1(11) . . . . ?
Pb2 O4 C12 C10 -166.7(8) . . . . ?
Pb2 O3 C12 O4 -13.6(12) . . . . ?
Pb2 O3 C12 C10 165.3(7) . . . . ?
C9 C10 C12 O4 177.7(10) . . . . ?
C11 C10 C12 O4 1.7(14) . . . . ?
C9 C10 C12 O3 -1.2(14) . . . . ?
C11 C10 C12 O3 -177.2(10) . . . . ?
O5 S1 C13 C13 177(2) . . . 7_575 ?
C14 S1 C13 C13 -86(3) . . . 7_575 ?
S1 S1 C13 C13 -140(2) 6_575 . . 7_575 ?
O5 S1 C13 S1 177(2) . . . 7_575 ?
C14 S1 C13 S1 -86(3) . . . 7_575 ?
C13 S1 C13 S1 0.003(6) 7_575 . . 7_575 ?
S1 S1 C13 S1 -140(2) 6_575 . . 7_575 ?
O7 S2 C15 C15 178(4) . . . 7_666 ?
C16 S2 C15 C15 79(5) . . . 7_666 ?
S2 S2 C15 C15 130(4) 6_575 . . 7_666 ?
O7 S2 C15 S2 178(4) . . . 7_666 ?
C16 S2 C15 S2 79(5) . . . 7_666 ?
S2 S2 C15 S2 130(4) 6_575 . . 7_666 ?
C15 S2 C15 S2 -0.001(14) 7_666 . . 7_666 ?
O6 S3 C17 C17 149.9(11) . . . 2_656 ?
C17 S3 C17 C17 -101.6(13) 6_575 . . 2_656 ?
O6 S3' C17' S3' 178.2(8) . . . 5_677 ?
C17' S3' C17' S3' 64.8(13) 6_575 . . 5_677 ?
C17' S3' C17' S3' -52.1(10) 2_657 . . 5_677 ?
C17' S3' C17' S3' -0.001(1) 5_677 . . 5_677 ?

_refine_diff_density_max         2.705
_refine_diff_density_min         -3.765
_refine_diff_density_rms         0.589

