# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1842563'
_audit_update_record             
;
2018-05-10 deposited with the CCDC.
2018-06-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C4 H8 I4 O4 Pb4'
_chemical_formula_sum            'C4 H8 I4 O4 Pb4'
_chemical_formula_weight         1456.50

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'
I I -0.4742 1.8119 '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           monoclinic
_symmetry_space_group_name_H-M   P21/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                   9.374(7)
_cell_length_b                   13.721(9)
_cell_length_c                   13.498(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.29(2)
_cell_angle_gamma                90.00
_cell_volume                     1726(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    38875
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      27.91

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    5.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2416
_exptl_absorpt_coefficient_mu    46.047
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0808
_exptl_absorpt_correction_T_max  0.1687
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_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  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.31
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38875
_diffrn_reflns_av_R_equivalents  0.0680
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.93
_diffrn_reflns_theta_max         27.91
_reflns_number_total             4107
_reflns_number_gt                3484
_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)+(0.0188P)²+18.3485P] 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       0.00049(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4107
_refine_ls_number_parameters     146
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0252
_refine_ls_wR_factor_ref         0.0585
_refine_ls_wR_factor_gt          0.0532
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_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 0.40093(3) 0.73418(2) 0.54037(2) 0.01963(8) Uani 1 1 d . . .
Pb2 Pb 0.63283(3) 0.56637(2) 0.42161(2) 0.01955(8) Uani 1 1 d . . .
Pb3 Pb 0.82677(4) 0.75797(2) 0.57021(3) 0.02665(9) Uani 1 1 d . . .
Pb4 Pb 0.12734(3) 0.91358(2) 0.36685(2) 0.02166(8) Uani 1 1 d . . .
I1 I 0.60983(7) 0.92220(4) 0.64693(5) 0.02839(13) Uani 1 1 d . . .
I2 I -0.06662(6) 0.72365(4) 0.34701(4) 0.02746(13) Uani 1 1 d . . .
I3 I 0.09272(6) 0.89813(4) 0.12313(4) 0.02584(13) Uani 1 1 d . . .
I4 I 0.13990(7) 0.91345(4) 0.60102(4) 0.02808(13) Uani 1 1 d . . .
O1 O 0.3925(6) 0.5735(4) 0.4598(4) 0.0164(11) Uani 1 1 d . . .
O2 O 0.3196(6) 0.3798(4) 0.4159(4) 0.0217(12) Uani 1 1 d . . .
O3 O 0.5991(6) 0.7430(4) 0.4483(4) 0.0193(12) Uani 1 1 d . . .
O4 O 0.3183(6) 0.8049(4) 0.3951(4) 0.0221(12) Uani 1 1 d . . .
C1 C 0.2818(9) 0.5515(6) 0.3823(6) 0.0188(16) Uani 1 1 d . . .
H1A H 0.2814 0.6001 0.3301 0.023 Uiso 1 1 calc R . .
H1B H 0.1896 0.5538 0.4085 0.023 Uiso 1 1 calc R . .
C2 C 0.3032(9) 0.4516(6) 0.3390(6) 0.0211(17) Uani 1 1 d . . .
H2A H 0.2212 0.4354 0.2917 0.025 Uiso 1 1 calc R . .
H2B H 0.3880 0.4521 0.3037 0.025 Uiso 1 1 calc R . .
C3 C 0.5683(9) 0.8112(6) 0.3677(6) 0.0238(18) Uani 1 1 d . . .
H3A H 0.6329 0.8003 0.3174 0.029 Uiso 1 1 calc R . .
H3B H 0.5825 0.8773 0.3925 0.029 Uiso 1 1 calc R . .
C4 C 0.4144(9) 0.7983(6) 0.3222(6) 0.0227(17) Uani 1 1 d . . .
H4A H 0.3911 0.8480 0.2720 0.027 Uiso 1 1 calc R . .
H4B H 0.4039 0.7352 0.2898 0.027 Uiso 1 1 calc R . .


_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 2.248(6) . ?
Pb1 O3 2.349(5) . ?
Pb1 O1 2.456(5) . ?
Pb1 Pb2 3.6552(17) . ?
Pb2 O2 2.311(6) 3_666 ?
Pb2 O1 2.367(6) . ?
Pb2 O3 2.476(6) . ?
Pb2 O1 2.527(5) 3_666 ?
Pb2 Pb3 3.6661(17) . ?
Pb3 O2 2.355(6) 3_666 ?
Pb3 O3 2.557(6) . ?
Pb3 I1 3.2783(17) . ?
Pb3 I3 3.3049(19) 4_676 ?
Pb3 I2 3.310(2) 1_655 ?
Pb4 O4 2.329(6) . ?
Pb4 I4 3.150(2) . ?
Pb4 I2 3.1721(18) . ?
Pb4 I3 3.277(2) . ?
Pb4 I1 3.3589(19) 3_676 ?
I1 Pb4 3.3589(19) 3_676 ?
I2 Pb3 3.310(2) 1_455 ?
I3 Pb3 3.3049(19) 4_475 ?
O1 C1 1.423(9) . ?
O1 Pb2 2.527(5) 3_666 ?
O2 C2 1.428(9) . ?
O2 Pb2 2.311(6) 3_666 ?
O2 Pb3 2.355(6) 3_666 ?
O3 C3 1.440(9) . ?
O4 C4 1.408(9) . ?
C1 C2 1.511(11) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.515(12) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?

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 O3 74.5(2) . . ?
O4 Pb1 O1 90.6(2) . . ?
O3 Pb1 O1 78.51(19) . . ?
O4 Pb1 Pb2 93.09(15) . . ?
O3 Pb1 Pb2 42.06(14) . . ?
O1 Pb1 Pb2 39.83(13) . . ?
O2 Pb2 O1 82.5(2) 3_666 . ?
O2 Pb2 O3 64.12(19) 3_666 . ?
O1 Pb2 O3 77.77(18) . . ?
O2 Pb2 O1 70.34(19) 3_666 3_666 ?
O1 Pb2 O1 74.7(2) . 3_666 ?
O3 Pb2 O1 128.99(17) . 3_666 ?
O2 Pb2 Pb1 56.26(15) 3_666 . ?
O1 Pb2 Pb1 41.63(13) . . ?
O3 Pb2 Pb1 39.47(12) . . ?
O1 Pb2 Pb1 95.67(13) 3_666 . ?
O2 Pb2 Pb3 38.63(14) 3_666 . ?
O1 Pb2 Pb3 106.13(13) . . ?
O3 Pb2 Pb3 44.11(14) . . ?
O1 Pb2 Pb3 105.87(13) 3_666 . ?
Pb1 Pb2 Pb3 65.89(2) . . ?
O2 Pb3 O3 62.24(18) 3_666 . ?
O2 Pb3 I1 98.03(15) 3_666 . ?
O3 Pb3 I1 75.85(13) . . ?
O2 Pb3 I3 83.97(15) 3_666 4_676 ?
O3 Pb3 I3 130.08(13) . 4_676 ?
I1 Pb3 I3 148.93(3) . 4_676 ?
O2 Pb3 I2 101.22(14) 3_666 1_655 ?
O3 Pb3 I2 73.53(13) . 1_655 ?
I1 Pb3 I2 130.16(2) . 1_655 ?
I3 Pb3 I2 78.97(4) 4_676 1_655 ?
O2 Pb3 Pb2 37.78(14) 3_666 . ?
O3 Pb3 Pb2 42.38(13) . . ?
I1 Pb3 Pb2 112.22(5) . . ?
I3 Pb3 Pb2 88.31(5) 4_676 . ?
I2 Pb3 Pb2 65.23(4) 1_655 . ?
O4 Pb4 I4 83.78(14) . . ?
O4 Pb4 I2 84.88(16) . . ?
I4 Pb4 I2 92.42(2) . . ?
O4 Pb4 I3 96.48(14) . . ?
I4 Pb4 I3 174.86(2) . . ?
I2 Pb4 I3 82.49(2) . . ?
O4 Pb4 I1 83.31(16) . 3_676 ?
I4 Pb4 I1 96.26(3) . 3_676 ?
I2 Pb4 I1 164.483(18) . 3_676 ?
I3 Pb4 I1 88.87(3) . 3_676 ?
Pb3 I1 Pb4 87.67(6) . 3_676 ?
Pb4 I2 Pb3 91.93(3) . 1_455 ?
Pb4 I3 Pb3 104.38(2) . 4_475 ?
C1 O1 Pb2 117.8(4) . . ?
C1 O1 Pb1 120.1(4) . . ?
Pb2 O1 Pb1 98.54(19) . . ?
C1 O1 Pb2 101.1(4) . 3_666 ?
Pb2 O1 Pb2 105.3(2) . 3_666 ?
Pb1 O1 Pb2 113.7(2) . 3_666 ?
C2 O2 Pb2 117.6(5) . 3_666 ?
C2 O2 Pb3 126.5(5) . 3_666 ?
Pb2 O2 Pb3 103.6(2) 3_666 3_666 ?
C3 O3 Pb1 109.2(4) . . ?
C3 O3 Pb2 123.0(5) . . ?
Pb1 O3 Pb2 98.47(19) . . ?
C3 O3 Pb3 121.2(5) . . ?
Pb1 O3 Pb3 108.4(2) . . ?
Pb2 O3 Pb3 93.51(18) . . ?
C4 O4 Pb1 113.4(5) . . ?
C4 O4 Pb4 117.7(5) . . ?
Pb1 O4 Pb4 127.2(2) . . ?
O1 C1 C2 111.1(6) . . ?
O1 C1 H1A 109.4 . . ?
C2 C1 H1A 109.4 . . ?
O1 C1 H1B 109.4 . . ?
C2 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
O2 C2 C1 110.6(6) . . ?
O2 C2 H2A 109.5 . . ?
C1 C2 H2A 109.5 . . ?
O2 C2 H2B 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
O3 C3 C4 109.5(7) . . ?
O3 C3 H3A 109.8 . . ?
C4 C3 H3A 109.8 . . ?
O3 C3 H3B 109.8 . . ?
C4 C3 H3B 109.8 . . ?
H3A C3 H3B 108.2 . . ?
O4 C4 C3 111.3(7) . . ?
O4 C4 H4A 109.4 . . ?
C3 C4 H4A 109.4 . . ?
O4 C4 H4B 109.4 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?

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
O4 Pb1 Pb2 O2 151.8(2) . . . 3_666 ?
O3 Pb1 Pb2 O2 89.2(3) . . . 3_666 ?
O1 Pb1 Pb2 O2 -121.0(3) . . . 3_666 ?
O4 Pb1 Pb2 O1 -87.2(2) . . . . ?
O3 Pb1 Pb2 O1 -149.8(3) . . . . ?
O4 Pb1 Pb2 O3 62.7(3) . . . . ?
O1 Pb1 Pb2 O3 149.8(3) . . . . ?
O4 Pb1 Pb2 O1 -146.40(19) . . . 3_666 ?
O3 Pb1 Pb2 O1 150.9(2) . . . 3_666 ?
O1 Pb1 Pb2 O1 -59.2(3) . . . 3_666 ?
O4 Pb1 Pb2 Pb3 108.73(16) . . . . ?
O3 Pb1 Pb2 Pb3 46.1(2) . . . . ?
O1 Pb1 Pb2 Pb3 -164.10(19) . . . . ?
O1 Pb2 Pb3 O2 54.6(3) . . . 3_666 ?
O3 Pb2 Pb3 O2 106.6(3) . . . 3_666 ?
O1 Pb2 Pb3 O2 -23.7(3) 3_666 . . 3_666 ?
Pb1 Pb2 Pb3 O2 65.5(2) . . . 3_666 ?
O2 Pb2 Pb3 O3 -106.6(3) 3_666 . . . ?
O1 Pb2 Pb3 O3 -52.0(2) . . . . ?
O1 Pb2 Pb3 O3 -130.3(2) 3_666 . . . ?
Pb1 Pb2 Pb3 O3 -41.11(17) . . . . ?
O2 Pb2 Pb3 I1 -73.7(2) 3_666 . . . ?
O1 Pb2 Pb3 I1 -19.11(13) . . . . ?
O3 Pb2 Pb3 I1 32.93(17) . . . . ?
O1 Pb2 Pb3 I1 -97.35(13) 3_666 . . . ?
Pb1 Pb2 Pb3 I1 -8.188(16) . . . . ?
O2 Pb2 Pb3 I3 82.3(2) 3_666 . . 4_676 ?
O1 Pb2 Pb3 I3 136.90(14) . . . 4_676 ?
O3 Pb2 Pb3 I3 -171.06(17) . . . 4_676 ?
O1 Pb2 Pb3 I3 58.67(13) 3_666 . . 4_676 ?
Pb1 Pb2 Pb3 I3 147.82(3) . . . 4_676 ?
O2 Pb2 Pb3 I2 160.9(2) 3_666 . . 1_655 ?
O1 Pb2 Pb3 I2 -144.47(13) . . . 1_655 ?
O3 Pb2 Pb3 I2 -92.44(18) . . . 1_655 ?
O1 Pb2 Pb3 I2 137.29(13) 3_666 . . 1_655 ?
Pb1 Pb2 Pb3 I2 -133.55(3) . . . 1_655 ?
O2 Pb3 I1 Pb4 175.05(13) 3_666 . . 3_676 ?
O3 Pb3 I1 Pb4 -126.32(12) . . . 3_676 ?
I3 Pb3 I1 Pb4 83.43(5) 4_676 . . 3_676 ?
I2 Pb3 I1 Pb4 -72.84(4) 1_655 . . 3_676 ?
Pb2 Pb3 I1 Pb4 -148.52(3) . . . 3_676 ?
O4 Pb4 I2 Pb3 104.44(14) . . . 1_455 ?
I4 Pb4 I2 Pb3 20.91(3) . . . 1_455 ?
I3 Pb4 I2 Pb3 -158.32(3) . . . 1_455 ?
I1 Pb4 I2 Pb3 144.97(7) 3_676 . . 1_455 ?
O4 Pb4 I3 Pb3 98.38(16) . . . 4_475 ?
I4 Pb4 I3 Pb3 5.8(2) . . . 4_475 ?
I2 Pb4 I3 Pb3 14.441(19) . . . 4_475 ?
I1 Pb4 I3 Pb3 -178.484(18) 3_676 . . 4_475 ?
O2 Pb2 O1 C1 176.7(5) 3_666 . . . ?
O3 Pb2 O1 C1 111.7(5) . . . . ?
O1 Pb2 O1 C1 -111.7(5) 3_666 . . . ?
Pb1 Pb2 O1 C1 130.7(5) . . . . ?
Pb3 Pb2 O1 C1 145.8(4) . . . . ?
O2 Pb2 O1 Pb1 45.96(19) 3_666 . . . ?
O3 Pb2 O1 Pb1 -19.07(18) . . . . ?
O1 Pb2 O1 Pb1 117.6(3) 3_666 . . . ?
Pb3 Pb2 O1 Pb1 15.09(18) . . . . ?
O2 Pb2 O1 Pb2 -71.6(2) 3_666 . . 3_666 ?
O3 Pb2 O1 Pb2 -136.6(2) . . . 3_666 ?
O1 Pb2 O1 Pb2 0.0 3_666 . . 3_666 ?
Pb1 Pb2 O1 Pb2 -117.6(3) . . . 3_666 ?
Pb3 Pb2 O1 Pb2 -102.47(16) . . . 3_666 ?
O4 Pb1 O1 C1 -35.0(5) . . . . ?
O3 Pb1 O1 C1 -109.1(5) . . . . ?
Pb2 Pb1 O1 C1 -129.2(6) . . . . ?
O4 Pb1 O1 Pb2 94.2(2) . . . . ?
O3 Pb1 O1 Pb2 20.09(19) . . . . ?
O4 Pb1 O1 Pb2 -154.9(2) . . . 3_666 ?
O3 Pb1 O1 Pb2 131.1(2) . . . 3_666 ?
Pb2 Pb1 O1 Pb2 111.0(3) . . . 3_666 ?
O4 Pb1 O3 C3 16.4(5) . . . . ?
O1 Pb1 O3 C3 110.3(5) . . . . ?
Pb2 Pb1 O3 C3 129.4(6) . . . . ?
O4 Pb1 O3 Pb2 -113.0(2) . . . . ?
O1 Pb1 O3 Pb2 -19.17(18) . . . . ?
O4 Pb1 O3 Pb3 150.4(3) . . . . ?
O1 Pb1 O3 Pb3 -115.8(2) . . . . ?
Pb2 Pb1 O3 Pb3 -96.6(2) . . . . ?
O2 Pb2 O3 C3 172.9(6) 3_666 . . . ?
O1 Pb2 O3 C3 -99.6(6) . . . . ?
O1 Pb2 O3 C3 -158.0(5) 3_666 . . . ?
Pb1 Pb2 O3 C3 -119.5(6) . . . . ?
Pb3 Pb2 O3 C3 131.2(6) . . . . ?
O2 Pb2 O3 Pb1 -67.5(2) 3_666 . . . ?
O1 Pb2 O3 Pb1 19.97(19) . . . . ?
O1 Pb2 O3 Pb1 -38.5(3) 3_666 . . . ?
Pb3 Pb2 O3 Pb1 -109.2(2) . . . . ?
O2 Pb2 O3 Pb3 41.68(19) 3_666 . . . ?
O1 Pb2 O3 Pb3 129.20(19) . . . . ?
O1 Pb2 O3 Pb3 70.8(2) 3_666 . . . ?
Pb1 Pb2 O3 Pb3 109.2(2) . . . . ?
O2 Pb3 O3 C3 -174.1(6) 3_666 . . . ?
I1 Pb3 O3 C3 78.7(5) . . . . ?
I3 Pb3 O3 C3 -120.8(5) 4_676 . . . ?
I2 Pb3 O3 C3 -61.4(5) 1_655 . . . ?
Pb2 Pb3 O3 C3 -132.5(6) . . . . ?
O2 Pb3 O3 Pb1 58.6(2) 3_666 . . . ?
I1 Pb3 O3 Pb1 -48.60(17) . . . . ?
I3 Pb3 O3 Pb1 111.85(18) 4_676 . . . ?
I2 Pb3 O3 Pb1 171.2(2) 1_655 . . . ?
Pb2 Pb3 O3 Pb1 100.1(2) . . . . ?
O2 Pb3 O3 Pb2 -41.56(19) 3_666 . . . ?
I1 Pb3 O3 Pb2 -148.74(15) . . . . ?
I3 Pb3 O3 Pb2 11.7(2) 4_676 . . . ?
I2 Pb3 O3 Pb2 71.08(12) 1_655 . . . ?
O3 Pb1 O4 C4 12.3(5) . . . . ?
O1 Pb1 O4 C4 -65.6(5) . . . . ?
Pb2 Pb1 O4 C4 -25.8(5) . . . . ?
O3 Pb1 O4 Pb4 -152.3(4) . . . . ?
O1 Pb1 O4 Pb4 129.8(3) . . . . ?
Pb2 Pb1 O4 Pb4 169.6(3) . . . . ?
I4 Pb4 O4 C4 -154.7(6) . . . . ?
I2 Pb4 O4 C4 112.3(6) . . . . ?
I3 Pb4 O4 C4 30.5(6) . . . . ?
I1 Pb4 O4 C4 -57.6(5) 3_676 . . . ?
I4 Pb4 O4 Pb1 9.3(3) . . . . ?
I2 Pb4 O4 Pb1 -83.7(3) . . . . ?
I3 Pb4 O4 Pb1 -165.5(3) . . . . ?
I1 Pb4 O4 Pb1 106.4(3) 3_676 . . . ?
Pb2 O1 C1 C2 56.2(7) . . . . ?
Pb1 O1 C1 C2 176.2(5) . . . . ?
Pb2 O1 C1 C2 -57.9(6) 3_666 . . . ?
Pb2 O2 C2 C1 -15.1(8) 3_666 . . . ?
Pb3 O2 C2 C1 120.7(6) 3_666 . . . ?
O1 C1 C2 O2 52.9(9) . . . . ?
Pb1 O3 C3 C4 -40.8(7) . . . . ?
Pb2 O3 C3 C4 73.5(7) . . . . ?
Pb3 O3 C3 C4 -167.8(5) . . . . ?
Pb1 O4 C4 C3 -38.6(8) . . . . ?
Pb4 O4 C4 C3 127.6(6) . . . . ?
O3 C3 C4 O4 54.0(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.91
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         2.165
_refine_diff_density_min         -2.070
_refine_diff_density_rms         0.305
