# Supplementary Information (SI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1914396'
_audit_update_record             
;
2019-05-07 deposited with the CCDC.	2025-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            Pb-btdb
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H17 N3 O5 Pb S'
_chemical_formula_weight         654.65

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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

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'

_cell_length_a                   13.860(4)
_cell_length_b                   4.3787(12)
_cell_length_c                   35.140(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.770(4)
_cell_angle_gamma                90.00
_cell_volume                     2127.9(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.27
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.043
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1256
_exptl_absorpt_coefficient_mu    8.069
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.1552
_exptl_absorpt_correction_T_max  0.2210
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13571
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         28.25
_reflns_number_total             5002
_reflns_number_gt                4020
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0292P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00038(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5002
_refine_ls_number_parameters     299
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0658
_refine_ls_wR_factor_gt          0.0616
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.613030(12) 0.68562(4) 0.248044(4) 0.02464(7) Uani 1 1 d . . .
S1 S 0.07482(11) 0.7261(5) 0.03750(4) 0.0775(7) Uani 1 1 d . . .
C1 C 0.5092(4) 1.2864(12) 0.19240(12) 0.0293(11) Uani 1 1 d . . .
C2 C 0.4629(3) 1.1585(11) 0.15574(12) 0.0262(10) Uani 1 1 d . . .
C3 C 0.5119(3) 0.9529(12) 0.13474(12) 0.0299(11) Uani 1 1 d . . .
H3A H 0.5719 0.8810 0.1442 0.036 Uiso 1 1 calc R . .
C4 C 0.4734(4) 0.8515(11) 0.09985(13) 0.0341(12) Uani 1 1 d . . .
H4A H 0.5077 0.7116 0.0861 0.041 Uiso 1 1 calc R . .
C5 C 0.3835(3) 0.9560(12) 0.08489(11) 0.0278(10) Uani 1 1 d . . .
C6 C 0.3333(4) 1.1581(12) 0.10687(13) 0.0343(12) Uani 1 1 d . . .
H6A H 0.2720 1.2247 0.0982 0.041 Uiso 1 1 calc R . .
C7 C 0.3742(4) 1.2607(11) 0.14160(13) 0.0335(12) Uani 1 1 d . . .
H7A H 0.3409 1.4015 0.1556 0.040 Uiso 1 1 calc R . .
C8 C 0.3447(3) 0.8464(11) 0.04680(12) 0.0282(11) Uani 1 1 d . . .
C9 C 0.4037(4) 0.7891(13) 0.01822(13) 0.0374(13) Uani 1 1 d . . .
H9A H 0.4696 0.8227 0.0230 0.045 Uiso 1 1 calc R . .
C10 C 0.3711(4) 0.6817(13) -0.01830(13) 0.0379(13) Uani 1 1 d . . .
H10A H 0.4167 0.6521 -0.0362 0.045 Uiso 1 1 calc R . .
C11 C 0.2759(3) 0.6184(11) -0.02885(12) 0.0304(12) Uani 1 1 d . . .
C12 C 0.2107(3) 0.6719(13) 0.00066(12) 0.0358(12) Uani 1 1 d . . .
C13 C 0.2444(4) 0.7893(12) 0.03740(13) 0.0360(12) Uani 1 1 d . . .
C14 C 0.2448(3) 0.5142(12) -0.06791(11) 0.0287(11) Uani 1 1 d . . .
C15 C 0.2912(3) 0.6236(11) -0.09886(12) 0.0318(12) Uani 1 1 d . . .
H15A H 0.3411 0.7644 -0.0948 0.038 Uiso 1 1 calc R . .
C16 C 0.2653(3) 0.5289(12) -0.13565(12) 0.0295(11) Uani 1 1 d . . .
H16A H 0.2976 0.6064 -0.1559 0.035 Uiso 1 1 calc R . .
C17 C 0.1914(3) 0.3192(11) -0.14250(12) 0.0270(10) Uani 1 1 d . . .
C18 C 0.1445(4) 0.2067(12) -0.11174(13) 0.0328(11) Uani 1 1 d . . .
H18A H 0.0948 0.0655 -0.1159 0.039 Uiso 1 1 calc R . .
C19 C 0.1705(3) 0.3017(12) -0.07498(12) 0.0314(11) Uani 1 1 d . . .
H19A H 0.1383 0.2233 -0.0547 0.038 Uiso 1 1 calc R . .
C20 C 0.1644(4) 0.2087(12) -0.18245(13) 0.0309(11) Uani 1 1 d . . .
C21 C 0.3108(5) 1.3054(16) 0.2867(2) 0.070(2) Uani 1 1 d . . .
H21A H 0.3246 1.2423 0.2615 0.104 Uiso 1 1 calc R . .
H21B H 0.3167 1.5233 0.2888 0.104 Uiso 1 1 calc R . .
H21C H 0.2461 1.2456 0.2917 0.104 Uiso 1 1 calc R . .
C22 C 0.3698(5) 1.2267(17) 0.35353(19) 0.069(2) Uani 1 1 d . . .
H22A H 0.4189 1.1155 0.3683 0.103 Uiso 1 1 calc R . .
H22B H 0.3072 1.1649 0.3608 0.103 Uiso 1 1 calc R . .
H22C H 0.3782 1.4416 0.3581 0.103 Uiso 1 1 calc R . .
C23 C 0.4521(4) 0.9978(14) 0.30280(16) 0.0485(15) Uani 1 1 d . . .
H23A H 0.4947 0.9180 0.3218 0.058 Uiso 1 1 calc R . .
N1 N 0.1735(3) 0.8313(12) 0.06077(12) 0.0548(15) Uani 1 1 d . . .
N2 N 0.1151(3) 0.6240(13) -0.00276(11) 0.0521(14) Uani 1 1 d . . .
N3 N 0.3775(3) 1.1644(11) 0.31386(14) 0.0472(12) Uani 1 1 d . . .
O1 O 0.5902(2) 1.1771(7) 0.20486(8) 0.0317(8) Uani 1 1 d . . .
O2 O 0.4691(2) 1.5028(8) 0.20853(9) 0.0389(9) Uani 1 1 d . . .
O3 O 0.2058(3) 0.3209(8) -0.20992(9) 0.0372(8) Uani 1 1 d . . .
O4 O 0.0984(3) 0.0098(8) -0.18637(9) 0.0400(9) Uani 1 1 d . . .
O5 O 0.4681(3) 0.9445(10) 0.27081(10) 0.0508(10) Uani 1 1 d . . .


_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 O4 2.479(3) 4_666 ?
Pb1 O5 2.484(4) . ?
Pb1 O2 2.487(3) 1_545 ?
Pb1 O1 2.640(3) . ?
Pb1 O1 2.701(3) 1_545 ?
S1 N1 1.614(4) . ?
S1 N2 1.618(4) . ?
C1 O2 1.253(6) . ?
C1 O1 1.272(6) . ?
C1 C2 1.509(6) . ?
C2 C7 1.370(7) . ?
C2 C3 1.372(6) . ?
C3 C4 1.378(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.398(7) . ?
C4 H4A 0.9300 . ?
C5 C6 1.391(6) . ?
C5 C8 1.489(6) . ?
C6 C7 1.387(6) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C9 1.359(6) . ?
C8 C13 1.430(6) . ?
C9 C10 1.413(7) . ?
C9 H9A 0.9300 . ?
C10 C11 1.376(7) . ?
C10 H10A 0.9300 . ?
C11 C12 1.439(6) . ?
C11 C14 1.483(6) . ?
C12 N2 1.338(6) . ?
C12 C13 1.439(6) . ?
C13 N1 1.334(6) . ?
C14 C15 1.385(6) . ?
C14 C19 1.398(7) . ?
C15 C16 1.382(6) . ?
C15 H15A 0.9300 . ?
C16 C17 1.384(7) . ?
C16 H16A 0.9300 . ?
C17 C18 1.389(6) . ?
C17 C20 1.509(6) . ?
C18 C19 1.382(6) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 O3 1.255(6) . ?
C20 O4 1.264(6) . ?
C21 N3 1.424(8) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 N3 1.431(7) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 O5 1.183(6) . ?
C23 N3 1.344(7) . ?
C23 H23A 0.9300 . ?
O1 Pb1 2.701(3) 1_565 ?
O2 Pb1 2.487(3) 1_565 ?
O4 Pb1 2.479(3) 4_565 ?

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
O4 Pb1 O5 74.96(12) 4_666 . ?
O4 Pb1 O2 107.22(12) 4_666 1_545 ?
O5 Pb1 O2 71.99(12) . 1_545 ?
O4 Pb1 O1 143.28(11) 4_666 . ?
O5 Pb1 O1 75.19(12) . . ?
O2 Pb1 O1 83.12(11) 1_545 . ?
O4 Pb1 O1 102.94(11) 4_666 1_545 ?
O5 Pb1 O1 119.34(12) . 1_545 ?
O2 Pb1 O1 50.29(10) 1_545 1_545 ?
O1 Pb1 O1 110.11(11) . 1_545 ?
N1 S1 N2 101.1(2) . . ?
O2 C1 O1 122.5(4) . . ?
O2 C1 C2 119.4(4) . . ?
O1 C1 C2 118.1(4) . . ?
C7 C2 C3 118.9(4) . . ?
C7 C2 C1 120.6(4) . . ?
C3 C2 C1 120.3(4) . . ?
C2 C3 C4 120.9(4) . . ?
C2 C3 H3A 119.6 . . ?
C4 C3 H3A 119.6 . . ?
C3 C4 C5 120.8(5) . . ?
C3 C4 H4A 119.6 . . ?
C5 C4 H4A 119.6 . . ?
C6 C5 C4 117.8(4) . . ?
C6 C5 C8 122.7(4) . . ?
C4 C5 C8 119.5(4) . . ?
C7 C6 C5 120.3(5) . . ?
C7 C6 H6A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C2 C7 C6 121.3(5) . . ?
C2 C7 H7A 119.4 . . ?
C6 C7 H7A 119.4 . . ?
C9 C8 C13 114.8(4) . . ?
C9 C8 C5 121.7(4) . . ?
C13 C8 C5 123.5(4) . . ?
C8 C9 C10 124.1(5) . . ?
C8 C9 H9A 117.9 . . ?
C10 C9 H9A 117.9 . . ?
C11 C10 C9 123.7(4) . . ?
C11 C10 H10A 118.1 . . ?
C9 C10 H10A 118.1 . . ?
C10 C11 C12 114.2(4) . . ?
C10 C11 C14 121.8(4) . . ?
C12 C11 C14 124.0(4) . . ?
N2 C12 C11 125.1(4) . . ?
N2 C12 C13 113.4(4) . . ?
C11 C12 C13 121.5(4) . . ?
N1 C13 C8 125.3(4) . . ?
N1 C13 C12 113.1(4) . . ?
C8 C13 C12 121.5(4) . . ?
C15 C14 C19 117.7(4) . . ?
C15 C14 C11 119.9(4) . . ?
C19 C14 C11 122.3(4) . . ?
C16 C15 C14 121.7(4) . . ?
C16 C15 H15A 119.2 . . ?
C14 C15 H15A 119.2 . . ?
C15 C16 C17 120.4(4) . . ?
C15 C16 H16A 119.8 . . ?
C17 C16 H16A 119.8 . . ?
C16 C17 C18 118.6(4) . . ?
C16 C17 C20 120.7(4) . . ?
C18 C17 C20 120.7(4) . . ?
C19 C18 C17 120.9(5) . . ?
C19 C18 H18A 119.6 . . ?
C17 C18 H18A 119.6 . . ?
C18 C19 C14 120.7(4) . . ?
C18 C19 H19A 119.6 . . ?
C14 C19 H19A 119.6 . . ?
O3 C20 O4 123.4(4) . . ?
O3 C20 C17 119.5(5) . . ?
O4 C20 C17 117.1(4) . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N3 C22 H22A 109.5 . . ?
N3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 N3 125.3(6) . . ?
O5 C23 H23A 117.4 . . ?
N3 C23 H23A 117.4 . . ?
C13 N1 S1 106.4(3) . . ?
C12 N2 S1 105.9(3) . . ?
C23 N3 C21 121.3(5) . . ?
C23 N3 C22 119.5(5) . . ?
C21 N3 C22 118.9(5) . . ?
C1 O1 Pb1 125.1(3) . . ?
C1 O1 Pb1 87.2(3) . 1_565 ?
Pb1 O1 Pb1 110.11(10) . 1_565 ?
C1 O2 Pb1 97.6(3) . 1_565 ?
C20 O4 Pb1 103.7(3) . 4_565 ?
C23 O5 Pb1 127.0(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
O2 C1 C2 C7 -5.0(7) . . . . ?
O1 C1 C2 C7 177.9(4) . . . . ?
O2 C1 C2 C3 170.6(5) . . . . ?
O1 C1 C2 C3 -6.5(7) . . . . ?
C7 C2 C3 C4 0.5(7) . . . . ?
C1 C2 C3 C4 -175.2(4) . . . . ?
C2 C3 C4 C5 0.2(8) . . . . ?
C3 C4 C5 C6 -1.8(7) . . . . ?
C3 C4 C5 C8 178.9(4) . . . . ?
C4 C5 C6 C7 2.9(7) . . . . ?
C8 C5 C6 C7 -177.8(5) . . . . ?
C3 C2 C7 C6 0.6(7) . . . . ?
C1 C2 C7 C6 176.3(4) . . . . ?
C5 C6 C7 C2 -2.3(8) . . . . ?
C6 C5 C8 C9 145.6(5) . . . . ?
C4 C5 C8 C9 -35.1(7) . . . . ?
C6 C5 C8 C13 -35.2(7) . . . . ?
C4 C5 C8 C13 144.0(5) . . . . ?
C13 C8 C9 C10 0.1(8) . . . . ?
C5 C8 C9 C10 179.3(5) . . . . ?
C8 C9 C10 C11 -1.1(9) . . . . ?
C9 C10 C11 C12 0.2(8) . . . . ?
C9 C10 C11 C14 178.3(5) . . . . ?
C10 C11 C12 N2 -179.3(5) . . . . ?
C14 C11 C12 N2 2.7(9) . . . . ?
C10 C11 C12 C13 1.6(8) . . . . ?
C14 C11 C12 C13 -176.5(5) . . . . ?
C9 C8 C13 N1 -179.5(5) . . . . ?
C5 C8 C13 N1 1.3(9) . . . . ?
C9 C8 C13 C12 1.7(8) . . . . ?
C5 C8 C13 C12 -177.5(5) . . . . ?
N2 C12 C13 N1 -0.8(7) . . . . ?
C11 C12 C13 N1 178.4(5) . . . . ?
N2 C12 C13 C8 178.2(5) . . . . ?
C11 C12 C13 C8 -2.6(8) . . . . ?
C10 C11 C14 C15 -34.4(7) . . . . ?
C12 C11 C14 C15 143.4(5) . . . . ?
C10 C11 C14 C19 144.2(5) . . . . ?
C12 C11 C14 C19 -37.9(8) . . . . ?
C19 C14 C15 C16 0.3(7) . . . . ?
C11 C14 C15 C16 179.1(4) . . . . ?
C14 C15 C16 C17 -0.1(7) . . . . ?
C15 C16 C17 C18 -0.1(7) . . . . ?
C15 C16 C17 C20 -178.5(4) . . . . ?
C16 C17 C18 C19 0.1(7) . . . . ?
C20 C17 C18 C19 178.4(4) . . . . ?
C17 C18 C19 C14 0.2(8) . . . . ?
C15 C14 C19 C18 -0.4(7) . . . . ?
C11 C14 C19 C18 -179.1(5) . . . . ?
C16 C17 C20 O3 -3.9(7) . . . . ?
C18 C17 C20 O3 177.7(5) . . . . ?
C16 C17 C20 O4 177.8(4) . . . . ?
C18 C17 C20 O4 -0.5(7) . . . . ?
C8 C13 N1 S1 -178.4(5) . . . . ?
C12 C13 N1 S1 0.5(6) . . . . ?
N2 S1 N1 C13 -0.1(5) . . . . ?
C11 C12 N2 S1 -178.6(5) . . . . ?
C13 C12 N2 S1 0.6(6) . . . . ?
N1 S1 N2 C12 -0.3(5) . . . . ?
O5 C23 N3 C21 -2.4(9) . . . . ?
O5 C23 N3 C22 -176.3(6) . . . . ?
O2 C1 O1 Pb1 97.3(5) . . . . ?
C2 C1 O1 Pb1 -85.7(4) . . . . ?
O2 C1 O1 Pb1 -15.4(5) . . . 1_565 ?
C2 C1 O1 Pb1 161.6(4) . . . 1_565 ?
O4 Pb1 O1 C1 -74.0(4) 4_666 . . . ?
O5 Pb1 O1 C1 -37.4(4) . . . . ?
O2 Pb1 O1 C1 35.7(3) 1_545 . . . ?
O1 Pb1 O1 C1 78.9(4) 1_545 . . . ?
O4 Pb1 O1 Pb1 27.2(2) 4_666 . . 1_565 ?
O5 Pb1 O1 Pb1 63.71(13) . . . 1_565 ?
O2 Pb1 O1 Pb1 136.84(13) 1_545 . . 1_565 ?
O1 Pb1 O1 Pb1 180.0 1_545 . . 1_565 ?
O1 C1 O2 Pb1 16.9(5) . . . 1_565 ?
C2 C1 O2 Pb1 -160.0(4) . . . 1_565 ?
O3 C20 O4 Pb1 16.2(6) . . . 4_565 ?
C17 C20 O4 Pb1 -165.6(3) . . . 4_565 ?
N3 C23 O5 Pb1 173.2(4) . . . . ?
O4 Pb1 O5 C23 26.4(5) 4_666 . . . ?
O2 Pb1 O5 C23 140.6(5) 1_545 . . . ?
O1 Pb1 O5 C23 -132.0(5) . . . . ?
O1 Pb1 O5 C23 123.0(5) 1_545 . . . ?

_diffrn_measured_fraction_theta_max 0.949
_diffrn_reflns_theta_full        28.25
_diffrn_measured_fraction_theta_full 0.949
_refine_diff_density_max         1.616
_refine_diff_density_min         -1.025
_refine_diff_density_rms         0.136
