# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_s3735ma
_database_code_depnum_ccdc_archive 'CCDC 1005699'
_audit_update_record             
;
2018-08-22 deposited with the CCDC.
2018-09-26 downloaded from the CCDC.
;
#------------------  SECTION 2. COMPOUND(S) DETAILS -------------------------# 

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'bis[N,N-diethyl-N`-2-naphthoylthioureato] lead(II)'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H34 N4 O2 Pb S2'
_chemical_formula_weight         777.94

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -4.0753 8.5060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   10.6970(3)
_cell_length_b                   10.8385(4)
_cell_length_c                   26.5087(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.916(2)
_cell_angle_gamma                90.00
_cell_volume                     3036.27(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9525
_cell_measurement_theta_min      3.38
_cell_measurement_theta_max      72.51

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536
_exptl_absorpt_coefficient_mu    12.376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.200522
_exptl_absorpt_correction_T_max  0.3182
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17369
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.38
_diffrn_reflns_theta_max         72.53
_reflns_number_total             5789
_reflns_number_gt                5307
_reflns_threshold_expression     >2sigma(I)

_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-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0482P)²+7.2314P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5789
_refine_ls_number_parameters     385
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0938
_refine_ls_wR_factor_gt          0.0916
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_restrained_S_all      1.151
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1814(4) 0.5593(5) 0.16288(19) 0.0174(9) Uani 1 1 d . . .
C2 C 0.1951(4) 0.5235(5) 0.21298(19) 0.0182(9) Uani 1 1 d . . .
H2 H 0.2391 0.4494 0.2233 0.022 Uiso 1 1 calc R . .
C3 C 0.1444(5) 0.5960(4) 0.24972(19) 0.0168(9) Uani 1 1 d . . .
C4 C 0.1530(5) 0.5603(5) 0.3020(2) 0.0247(11) Uani 1 1 d . . .
H4 H 0.1960 0.4863 0.3133 0.030 Uiso 1 1 calc R . .
C5 C 0.1004(6) 0.6309(6) 0.3361(2) 0.0318(12) Uani 1 1 d . . .
H5 H 0.1055 0.6048 0.3705 0.038 Uiso 1 1 calc R . .
C6 C 0.0383(5) 0.7429(5) 0.3198(2) 0.0260(11) Uani 1 1 d . . .
H6 H 0.0034 0.7926 0.3437 0.031 Uiso 1 1 calc R . .
C7 C 0.0285(5) 0.7796(5) 0.2706(2) 0.0210(10) Uani 1 1 d . . .
H7 H -0.0136 0.8547 0.2602 0.025 Uiso 1 1 calc R . .
C8 C 0.0804(4) 0.7070(4) 0.23381(19) 0.0173(9) Uani 1 1 d . . .
C9 C 0.0679(5) 0.7412(5) 0.18207(19) 0.0209(10) Uani 1 1 d . . .
H9 H 0.0245 0.8152 0.1711 0.025 Uiso 1 1 calc R . .
C10 C 0.1167(5) 0.6705(5) 0.14755(19) 0.0218(10) Uani 1 1 d . . .
H10 H 0.1073 0.6958 0.1128 0.026 Uiso 1 1 calc R . .
C11 C 0.2410(4) 0.4887(5) 0.12440(19) 0.0177(9) Uani 1 1 d . . .
C12 C 0.3786(5) 0.3274(5) 0.1136(2) 0.0249(11) Uani 1 1 d . A .
C15 C 0.2381(6) 0.1461(6) 0.1078(2) 0.0338(13) Uani 1 1 d . A .
H15A H 0.1742 0.2092 0.1128 0.041 Uiso 1 1 calc R . .
H15B H 0.2068 0.1013 0.0758 0.041 Uiso 1 1 calc R . .
C16 C 0.2518(6) 0.0585(6) 0.1508(3) 0.0387(15) Uani 1 1 d . . .
H16A H 0.3005 -0.0133 0.1427 0.058 Uiso 1 1 calc R . .
H16B H 0.1679 0.0319 0.1569 0.058 Uiso 1 1 calc R . .
H16C H 0.2962 0.0989 0.1816 0.058 Uiso 1 1 calc R . .
C17 C 0.8196(4) 0.7484(5) 0.04757(17) 0.0173(9) Uani 1 1 d . . .
C18 C 0.8856(5) 0.8566(5) 0.0655(2) 0.0213(10) Uani 1 1 d . . .
H18 H 0.8534 0.9076 0.0896 0.026 Uiso 1 1 calc R . .
C19 C 0.9954(5) 0.8888(5) 0.0484(2) 0.0242(11) Uani 1 1 d . . .
H19 H 1.0369 0.9632 0.0601 0.029 Uiso 1 1 calc R . .
C20 C 1.0484(5) 0.8132(5) 0.0134(2) 0.0219(10) Uani 1 1 d . . .
C21 C 1.1646(5) 0.8402(5) -0.0044(2) 0.0261(11) Uani 1 1 d . . .
H21 H 1.2104 0.9124 0.0075 0.031 Uiso 1 1 calc R . .
C22 C 1.2103(5) 0.7660(6) -0.0375(2) 0.0289(12) Uani 1 1 d . . .
H22 H 1.2873 0.7867 -0.0491 0.035 Uiso 1 1 calc R . .
C23 C 1.1450(5) 0.6563(6) -0.0556(2) 0.0252(11) Uani 1 1 d . . .
H23 H 1.1795 0.6031 -0.0784 0.030 Uiso 1 1 calc R . .
C24 C 1.0325(5) 0.6280(5) -0.04012(18) 0.0220(10) Uani 1 1 d . . .
H24 H 0.9879 0.5560 -0.0529 0.026 Uiso 1 1 calc R . .
C25 C 0.9815(4) 0.7052(5) -0.00504(17) 0.0171(9) Uani 1 1 d . . .
C26 C 0.8667(4) 0.6764(5) 0.01234(18) 0.0174(9) Uani 1 1 d . . .
H26 H 0.8208 0.6053 -0.0007 0.021 Uiso 1 1 calc R . .
C27 C 0.7033(4) 0.7096(5) 0.06874(19) 0.0177(9) Uani 1 1 d . . .
C28 C 0.5835(4) 0.7436(4) 0.13408(18) 0.0166(9) Uani 1 1 d . A .
C29 C 0.7315(4) 0.6899(5) 0.2098(2) 0.0208(10) Uani 1 1 d . . .
H29A H 0.7351 0.7114 0.2463 0.025 Uiso 1 1 calc R . .
H29B H 0.7914 0.7445 0.1954 0.025 Uiso 1 1 calc R . .
C30 C 0.7731(5) 0.5571(5) 0.2057(3) 0.0312(13) Uani 1 1 d . . .
H30A H 0.7098 0.5020 0.2166 0.047 Uiso 1 1 calc R . .
H30B H 0.8547 0.5446 0.2276 0.047 Uiso 1 1 calc R . .
H30C H 0.7818 0.5388 0.1702 0.047 Uiso 1 1 calc R . .
C31 C 0.4990(5) 0.6886(5) 0.2123(2) 0.0230(10) Uani 1 1 d . . .
H31A H 0.5238 0.6196 0.2363 0.028 Uiso 1 1 calc R . .
H31B H 0.4226 0.6627 0.1887 0.028 Uiso 1 1 calc R . .
C32 C 0.4668(5) 0.8004(6) 0.2424(2) 0.0313(12) Uani 1 1 d . . .
H32A H 0.5437 0.8308 0.2637 0.047 Uiso 1 1 calc R . .
H32B H 0.4044 0.7772 0.2641 0.047 Uiso 1 1 calc R . .
H32C H 0.4317 0.8655 0.2187 0.047 Uiso 1 1 calc R . .
N1 N 0.2944(4) 0.3837(4) 0.13938(17) 0.0239(9) Uani 1 1 d . . .
N2 N 0.3605(5) 0.2093(5) 0.10246(19) 0.0305(11) Uani 1 1 d . . .
N3 N 0.6878(4) 0.7615(4) 0.11184(15) 0.0191(8) Uani 1 1 d . . .
N4 N 0.6024(4) 0.7128(4) 0.18279(16) 0.0161(8) Uani 1 1 d . . .
O1 O 0.2300(3) 0.5330(4) 0.07936(13) 0.0207(7) Uani 1 1 d . . .
O2 O 0.6349(3) 0.6238(3) 0.04505(14) 0.0210(7) Uani 1 1 d . . .
Pb1 Pb 0.407343(16) 0.584667(17) 0.038383(6) 0.01678(8) Uani 1 1 d . . .
S1 S 0.51456(11) 0.40382(11) 0.10113(5) 0.0198(2) Uani 1 1 d . . .
S2 S 0.43167(10) 0.77803(11) 0.10336(5) 0.0204(2) Uani 1 1 d . . .
C13 C 0.4521(6) 0.1349(6) 0.0821(3) 0.048(2) Uani 0.585(17) 1 d PD A 1
H13A H 0.4867 0.1833 0.0558 0.058 Uiso 0.585(17) 1 calc PR A 1
H13B H 0.4083 0.0621 0.0650 0.058 Uiso 0.585(17) 1 calc PR A 1
C14 C 0.5602(8) 0.0907(9) 0.1207(4) 0.034(3) Uani 0.585(17) 1 d PD A 1
H14A H 0.6087 0.1617 0.1360 0.051 Uiso 0.585(17) 1 calc PR A 1
H14B H 0.6153 0.0373 0.1040 0.051 Uiso 0.585(17) 1 calc PR A 1
H14C H 0.5272 0.0441 0.1475 0.051 Uiso 0.585(17) 1 calc PR A 1
C13S C 0.4521(6) 0.1349(6) 0.0821(3) 0.048(2) Uani 0.415(17) 1 d PD A 2
H13C H 0.4457 0.0522 0.0973 0.058 Uiso 0.415(17) 1 calc PR A 2
H13D H 0.5354 0.1681 0.0977 0.058 Uiso 0.415(17) 1 calc PR A 2
C14S C 0.4636(15) 0.1113(16) 0.0273(3) 0.051(6) Uani 0.415(17) 1 d PD A 2
H14D H 0.4854 0.0245 0.0230 0.077 Uiso 0.415(17) 1 calc PR A 2
H14E H 0.5300 0.1641 0.0173 0.077 Uiso 0.415(17) 1 calc PR A 2
H14F H 0.3828 0.1298 0.0057 0.077 Uiso 0.415(17) 1 calc PR A 2


_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
C1 C2 1.369(7) . ?
C1 C10 1.418(8) . ?
C1 C11 1.494(6) . ?
C2 C3 1.423(7) . ?
C2 H2 0.9500 . ?
C3 C8 1.415(7) . ?
C3 C4 1.428(7) . ?
C4 C5 1.369(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.419(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.353(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.430(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.407(7) . ?
C9 C10 1.358(7) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 O1 1.275(6) . ?
C11 N1 1.307(7) . ?
C12 N2 1.321(7) . ?
C12 N1 1.356(7) . ?
C12 S1 1.749(5) . ?
C15 C16 1.474(9) . ?
C15 N2 1.504(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C26 1.371(7) . ?
C17 C18 1.413(7) . ?
C17 C27 1.502(6) . ?
C18 C19 1.368(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.418(8) . ?
C19 H19 0.9500 . ?
C20 C25 1.420(7) . ?
C20 C21 1.427(7) . ?
C21 C22 1.338(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.424(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.365(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.421(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.411(6) . ?
C26 H26 0.9500 . ?
C27 O2 1.285(6) . ?
C27 N3 1.307(7) . ?
C28 N4 1.319(6) . ?
C28 N3 1.354(6) . ?
C28 S2 1.741(5) . ?
C29 N4 1.475(6) . ?
C29 C30 1.516(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 N4 1.475(6) . ?
C31 C32 1.519(8) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
N2 C13 1.437(8) . ?
O1 Pb1 2.394(3) . ?
O2 Pb1 2.450(3) . ?
Pb1 S2 2.6996(12) . ?
Pb1 S1 2.7080(13) . ?
Pb1 Pb1 3.5623(4) 3_665 ?
C13 C14 1.4992(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14S H14D 0.9800 . ?
C14S H14E 0.9800 . ?
C14S H14F 0.9800 . ?

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
C2 C1 C10 119.5(5) . . ?
C2 C1 C11 121.6(5) . . ?
C10 C1 C11 118.7(4) . . ?
C1 C2 C3 120.8(5) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C8 C3 C2 118.9(4) . . ?
C8 C3 C4 118.4(5) . . ?
C2 C3 C4 122.7(5) . . ?
C5 C4 C3 121.2(5) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C4 C5 C6 119.9(5) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C7 C6 C5 120.5(5) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C8 121.0(5) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C9 C8 C3 118.9(5) . . ?
C9 C8 C7 122.1(5) . . ?
C3 C8 C7 119.1(5) . . ?
C10 C9 C8 121.3(5) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C1 120.5(5) . . ?
C9 C10 H10 119.7 . . ?
C1 C10 H10 119.7 . . ?
O1 C11 N1 125.8(5) . . ?
O1 C11 C1 117.4(4) . . ?
N1 C11 C1 116.8(4) . . ?
N2 C12 N1 117.6(5) . . ?
N2 C12 S1 120.9(4) . . ?
N1 C12 S1 121.3(4) . . ?
C16 C15 N2 112.5(5) . . ?
C16 C15 H15A 109.1 . . ?
N2 C15 H15A 109.1 . . ?
C16 C15 H15B 109.1 . . ?
N2 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C26 C17 C18 118.9(4) . . ?
C26 C17 C27 120.6(4) . . ?
C18 C17 C27 120.5(4) . . ?
C19 C18 C17 120.7(5) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C18 C19 C20 121.3(5) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C19 C20 C25 118.0(4) . . ?
C19 C20 C21 123.7(5) . . ?
C25 C20 C21 118.2(5) . . ?
C22 C21 C20 121.3(5) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C21 C22 C23 120.9(5) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 119.7(5) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C25 120.7(5) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C26 C25 C20 119.1(5) . . ?
C26 C25 C24 121.7(5) . . ?
C20 C25 C24 119.1(4) . . ?
C17 C26 C25 121.8(5) . . ?
C17 C26 H26 119.1 . . ?
C25 C26 H26 119.1 . . ?
O2 C27 N3 126.8(4) . . ?
O2 C27 C17 117.5(4) . . ?
N3 C27 C17 115.5(4) . . ?
N4 C28 N3 116.8(4) . . ?
N4 C28 S2 120.2(3) . . ?
N3 C28 S2 122.5(4) . . ?
N4 C29 C30 112.9(4) . . ?
N4 C29 H29A 109.0 . . ?
C30 C29 H29A 109.0 . . ?
N4 C29 H29B 109.0 . . ?
C30 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N4 C31 C32 112.7(4) . . ?
N4 C31 H31A 109.1 . . ?
C32 C31 H31A 109.1 . . ?
N4 C31 H31B 109.1 . . ?
C32 C31 H31B 109.1 . . ?
H31A C31 H31B 107.8 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C11 N1 C12 122.1(4) . . ?
C12 N2 C13 122.9(5) . . ?
C12 N2 C15 121.3(5) . . ?
C13 N2 C15 115.7(5) . . ?
C27 N3 C28 122.9(4) . . ?
C28 N4 C31 123.5(4) . . ?
C28 N4 C29 120.5(4) . . ?
C31 N4 C29 115.8(4) . . ?
C11 O1 Pb1 123.2(3) . . ?
C27 O2 Pb1 130.1(3) . . ?
O1 Pb1 O2 148.88(12) . . ?
O1 Pb1 S2 84.09(9) . . ?
O2 Pb1 S2 79.81(8) . . ?
O1 Pb1 S1 80.90(9) . . ?
O2 Pb1 S1 76.09(9) . . ?
S2 Pb1 S1 100.38(4) . . ?
O1 Pb1 Pb1 133.54(9) . 3_665 ?
O2 Pb1 Pb1 59.73(8) . 3_665 ?
S2 Pb1 Pb1 139.23(3) . 3_665 ?
S1 Pb1 Pb1 75.98(3) . 3_665 ?
C12 S1 Pb1 100.0(2) . . ?
C28 S2 Pb1 97.05(16) . . ?
N2 C13 C14 115.0(6) . . ?
N2 C13 H13A 108.5 . . ?
C14 C13 H13A 108.5 . . ?
N2 C13 H13B 108.5 . . ?
C14 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
H14D C14S H14E 109.5 . . ?
H14D C14S H14F 109.5 . . ?
H14E C14S H14F 109.5 . . ?

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
C10 C1 C2 C3 0.5(7) . . . . ?
C11 C1 C2 C3 176.1(4) . . . . ?
C1 C2 C3 C8 -0.7(7) . . . . ?
C1 C2 C3 C4 178.0(5) . . . . ?
C8 C3 C4 C5 0.3(8) . . . . ?
C2 C3 C4 C5 -178.4(5) . . . . ?
C3 C4 C5 C6 -1.3(9) . . . . ?
C4 C5 C6 C7 1.3(9) . . . . ?
C5 C6 C7 C8 -0.2(8) . . . . ?
C2 C3 C8 C9 0.7(7) . . . . ?
C4 C3 C8 C9 -178.1(5) . . . . ?
C2 C3 C8 C7 179.6(4) . . . . ?
C4 C3 C8 C7 0.8(7) . . . . ?
C6 C7 C8 C9 178.0(5) . . . . ?
C6 C7 C8 C3 -0.9(7) . . . . ?
C3 C8 C9 C10 -0.5(7) . . . . ?
C7 C8 C9 C10 -179.3(5) . . . . ?
C8 C9 C10 C1 0.3(8) . . . . ?
C2 C1 C10 C9 -0.3(7) . . . . ?
C11 C1 C10 C9 -176.0(4) . . . . ?
C2 C1 C11 O1 -175.7(4) . . . . ?
C10 C1 C11 O1 -0.1(6) . . . . ?
C2 C1 C11 N1 7.7(7) . . . . ?
C10 C1 C11 N1 -176.7(4) . . . . ?
C26 C17 C18 C19 -0.6(8) . . . . ?
C27 C17 C18 C19 176.4(5) . . . . ?
C17 C18 C19 C20 -1.9(8) . . . . ?
C18 C19 C20 C25 2.5(8) . . . . ?
C18 C19 C20 C21 -177.9(5) . . . . ?
C19 C20 C21 C22 -179.8(5) . . . . ?
C25 C20 C21 C22 -0.2(8) . . . . ?
C20 C21 C22 C23 -0.8(8) . . . . ?
C21 C22 C23 C24 1.8(8) . . . . ?
C22 C23 C24 C25 -1.7(8) . . . . ?
C19 C20 C25 C26 -0.7(7) . . . . ?
C21 C20 C25 C26 179.7(4) . . . . ?
C19 C20 C25 C24 179.9(5) . . . . ?
C21 C20 C25 C24 0.3(7) . . . . ?
C23 C24 C25 C26 -178.7(5) . . . . ?
C23 C24 C25 C20 0.6(7) . . . . ?
C18 C17 C26 C25 2.4(7) . . . . ?
C27 C17 C26 C25 -174.6(4) . . . . ?
C20 C25 C26 C17 -1.7(7) . . . . ?
C24 C25 C26 C17 177.6(5) . . . . ?
C26 C17 C27 O2 -15.1(7) . . . . ?
C18 C17 C27 O2 168.0(5) . . . . ?
C26 C17 C27 N3 160.2(5) . . . . ?
C18 C17 C27 N3 -16.8(7) . . . . ?
O1 C11 N1 C12 21.2(8) . . . . ?
C1 C11 N1 C12 -162.4(5) . . . . ?
N2 C12 N1 C11 -130.5(6) . . . . ?
S1 C12 N1 C11 55.7(7) . . . . ?
N1 C12 N2 C13 -170.6(6) . . . . ?
S1 C12 N2 C13 3.3(9) . . . . ?
N1 C12 N2 C15 12.7(9) . . . . ?
S1 C12 N2 C15 -173.4(4) . . . . ?
C16 C15 N2 C12 -109.1(7) . . . . ?
C16 C15 N2 C13 74.1(7) . . . . ?
O2 C27 N3 C28 -10.2(8) . . . . ?
C17 C27 N3 C28 175.0(4) . . . . ?
N4 C28 N3 C27 130.0(5) . . . . ?
S2 C28 N3 C27 -58.2(7) . . . . ?
N3 C28 N4 C31 -179.2(4) . . . . ?
S2 C28 N4 C31 8.7(6) . . . . ?
N3 C28 N4 C29 -4.7(7) . . . . ?
S2 C28 N4 C29 -176.7(3) . . . . ?
C32 C31 N4 C28 -96.4(6) . . . . ?
C32 C31 N4 C29 88.8(5) . . . . ?
C30 C29 N4 C28 -88.2(6) . . . . ?
C30 C29 N4 C31 86.7(6) . . . . ?
N1 C11 O1 Pb1 -62.0(6) . . . . ?
C1 C11 O1 Pb1 121.7(4) . . . . ?
N3 C27 O2 Pb1 34.0(7) . . . . ?
C17 C27 O2 Pb1 -151.3(3) . . . . ?
C11 O1 Pb1 O2 -14.6(5) . . . . ?
C11 O1 Pb1 S2 -73.6(4) . . . . ?
C11 O1 Pb1 S1 27.9(4) . . . . ?
C11 O1 Pb1 Pb1 88.6(4) . . . 3_665 ?
C27 O2 Pb1 O1 -64.0(5) . . . . ?
C27 O2 Pb1 S2 -4.0(4) . . . . ?
C27 O2 Pb1 S1 -107.5(4) . . . . ?
C27 O2 Pb1 Pb1 170.8(5) . . . 3_665 ?
N2 C12 S1 Pb1 121.4(5) . . . . ?
N1 C12 S1 Pb1 -64.9(5) . . . . ?
O1 Pb1 S1 C12 20.7(2) . . . . ?
O2 Pb1 S1 C12 179.5(2) . . . . ?
S2 Pb1 S1 C12 102.88(18) . . . . ?
Pb1 Pb1 S1 C12 -118.72(18) 3_665 . . . ?
N4 C28 S2 Pb1 -114.2(4) . . . . ?
N3 C28 S2 Pb1 74.2(4) . . . . ?
O1 Pb1 S2 C28 120.28(19) . . . . ?
O2 Pb1 S2 C28 -32.98(19) . . . . ?
S1 Pb1 S2 C28 40.68(17) . . . . ?
Pb1 Pb1 S2 C28 -39.84(17) 3_665 . . . ?
C12 N2 C13 C14 79.1(8) . . . . ?
C15 N2 C13 C14 -104.0(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.960
_diffrn_reflns_theta_full        66.60
_diffrn_measured_fraction_theta_full 0.976
_refine_diff_density_max         1.845
_refine_diff_density_min         -1.397
_refine_diff_density_rms         0.174
