# Electronic Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2013

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B10 O21 Pb4 Zn2'
_chemical_formula_weight         1403.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
Zn Zn 0.2839 1.4301 '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           Orthorhombic
_symmetry_space_group_name_H-M   'Pbcn '

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

_cell_length_a                   14.6062(15)
_cell_length_b                   17.4899(16)
_cell_length_c                   13.2962(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3396.7(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4630
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      26.59

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.157
_exptl_crystal_size_mid          0.121
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    5.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4848
_exptl_absorpt_coefficient_mu    42.411
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4206
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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            52989
_diffrn_reflns_av_R_equivalents  0.0848
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         27.54
_reflns_number_total             3918
_reflns_number_gt                2845
_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 F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0260P)^2^+31.6159P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000090(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         3918
_refine_ls_number_parameters     336
_refine_ls_number_restraints     366
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0289
_refine_ls_wR_factor_ref         0.0702
_refine_ls_wR_factor_gt          0.0623
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.001
_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 -0.07487(2) 0.938441(18) 0.41801(3) 0.01289(10) Uani 1 1 d . . .
Pb2 Pb -0.07780(2) 0.69045(2) 0.42259(3) 0.01416(9) Uani 1 1 d . . .
Pb3 Pb 0.07011(2) 0.83242(2) 0.61848(3) 0.01399(10) Uani 1 1 d . . .
Pb4 Pb 0.06968(2) 0.58392(2) 0.59992(3) 0.01468(10) Uani 1 1 d . . .
Zn1 Zn 0.24980(6) 0.44862(6) 0.75067(8) 0.0074(2) Uani 1 1 d . . .
Zn2 Zn 0.25179(6) 0.69931(5) 0.75100(8) 0.0068(2) Uani 1 1 d . . .
B1 B 0.0761(7) 0.5462(5) 0.3636(8) 0.011(2) Uani 1 1 d U . .
B2 B 0.1663(7) 0.5792(5) 0.8620(7) 0.0059(17) Uani 1 1 d U . .
B3 B -0.0640(7) 0.9492(5) 0.6716(8) 0.0084(19) Uani 1 1 d U . .
B4 B 0.1629(7) 0.6733(6) 0.3569(8) 0.0096(17) Uani 1 1 d U . .
B5 B 0.3390(7) 0.6756(5) 0.3555(7) 0.0083(18) Uani 1 1 d U . .
B6 B -0.0623(7) 0.6994(5) 0.6736(8) 0.0094(19) Uani 1 1 d U . .
B7 B 0.2533(7) 0.6820(6) 0.5177(8) 0.013(2) Uani 1 1 d U . .
B8 B 0.0770(7) 0.7983(5) 0.3593(8) 0.0114(19) Uani 1 1 d U . .
B9 B 0.3420(7) 0.5709(5) 0.8528(7) 0.0058(18) Uani 1 1 d U . .
B10 B 0.2620(7) 0.4281(6) 0.5169(8) 0.012(2) Uani 1 1 d . . .
O1 O 0.2522(4) 0.8018(3) 0.8099(5) 0.0077(12) Uani 1 1 d U . .
O2 O 0.2498(4) 0.5505(3) 0.8102(5) 0.0091(12) Uani 1 1 d U . .
O3 O -0.0126(4) 0.9408(3) 0.5763(5) 0.0093(12) Uani 1 1 d U . .
O4 O -0.0155(4) 0.6882(3) 0.5754(5) 0.0108(11) Uani 1 1 d U . .
O5 O 0.1414(4) 0.4051(3) 0.8198(5) 0.0104(12) Uani 1 1 d U . .
O6 O 0.3413(4) 0.5625(3) 0.9607(5) 0.0130(12) Uani 1 1 d U . .
O7 O 0.1481(4) 0.6556(3) 0.8224(5) 0.0114(11) Uani 1 1 d U . .
O8 O 0.3552(4) 0.6536(3) 0.8252(5) 0.0111(11) Uani 1 1 d U . .
O9 O -0.0851(4) 0.7803(3) 0.6884(4) 0.0088(11) Uani 1 1 d U . .
O10 O 0.3346(4) 0.6884(3) 0.4646(5) 0.0141(13) Uani 1 1 d U . .
O11 O 0.0000 0.6700(5) 0.7500 0.0119(16) Uani 1 2 d SU . .
O12 O 0.0115(4) 0.5710(3) 0.4254(5) 0.0151(12) Uani 1 1 d U . .
O13 O 0.0000 0.9158(4) 0.7500 0.0098(15) Uani 1 2 d SU . .
O14 O 0.1805(4) 0.4189(4) 0.4721(5) 0.0139(13) Uani 1 1 d U . .
O15 O 0.0853(4) 0.7218(3) 0.3332(5) 0.0107(12) Uani 1 1 d U . .
O16 O -0.0862(4) 0.5309(3) 0.6602(5) 0.0102(12) Uani 1 1 d U . .
O17 O 0.0056(4) 0.8202(3) 0.4153(5) 0.0146(12) Uani 1 1 d U . .
O18 O 0.3508(4) 0.4046(3) 0.8286(4) 0.0090(11) Uani 1 1 d U . .
O19 O -0.0848(4) 1.0289(3) 0.6925(5) 0.0090(12) Uani 1 1 d U . .
O20 O 0.1725(4) 0.6692(4) 0.4672(5) 0.0174(12) Uani 1 1 d U . .
O21 O 0.2741(5) 0.4261(4) 0.6169(5) 0.0216(14) Uani 1 1 d U . .
O22 O 0.2521(4) 0.6891(5) 0.6152(6) 0.0299(16) Uani 1 1 d U . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pb1 0.00950(18) 0.01448(18) 0.01470(19) 0.00196(12) -0.00202(15) 0.00030(13)
Pb2 0.00914(18) 0.01989(19) 0.01345(19) 0.00313(13) -0.00103(14) -0.00030(13)
Pb3 0.00832(17) 0.01319(17) 0.0205(2) 0.00094(13) 0.00098(14) 0.00220(13)
Pb4 0.00888(18) 0.01611(18) 0.01904(19) 0.00274(13) 0.00004(14) 0.00283(14)
Zn1 0.0061(6) 0.0093(5) 0.0068(5) -0.0006(4) 0.0006(4) -0.0001(3)
Zn2 0.0050(6) 0.0081(5) 0.0074(5) -0.0008(4) -0.0007(3) 0.0003(3)
B1 0.006(5) 0.015(4) 0.014(5) 0.003(4) -0.002(4) -0.005(4)
B2 0.0058(19) 0.0061(19) 0.0059(19) 0.0005(10) 0.0004(10) -0.0004(10)
B3 0.008(2) 0.009(2) 0.009(2) -0.0001(10) 0.0000(10) 0.0002(10)
B4 0.007(4) 0.012(4) 0.010(4) -0.002(3) -0.001(3) 0.000(3)
B5 0.0081(19) 0.0085(19) 0.0081(19) 0.0002(10) -0.0005(10) 0.0000(10)
B6 0.009(2) 0.010(2) 0.010(2) -0.0004(10) 0.0002(10) 0.0000(10)
B7 0.013(4) 0.014(4) 0.012(4) 0.003(4) -0.004(3) -0.001(3)
B8 0.013(5) 0.009(4) 0.013(5) 0.004(3) 0.000(4) -0.002(4)
B9 0.0055(19) 0.0059(19) 0.0060(19) 0.0003(10) -0.0002(10) 0.0001(10)
B10 0.008(5) 0.018(6) 0.009(5) -0.002(4) -0.001(4) 0.001(4)
O1 0.006(3) 0.005(3) 0.012(3) -0.003(2) 0.001(2) -0.0029(19)
O2 0.005(3) 0.010(2) 0.012(3) -0.001(2) 0.002(2) -0.0016(19)
O3 0.007(3) 0.009(2) 0.012(3) 0.003(2) 0.001(2) 0.003(2)
O4 0.010(2) 0.010(2) 0.012(3) 0.001(2) 0.004(2) 0.005(2)
O5 0.0101(14) 0.0097(14) 0.0113(14) 0.0000(9) 0.0009(9) -0.0005(9)
O6 0.006(3) 0.019(3) 0.013(3) 0.004(2) 0.000(2) 0.001(2)
O7 0.004(2) 0.011(2) 0.019(3) -0.001(2) 0.002(2) -0.001(2)
O8 0.007(3) 0.010(2) 0.015(3) -0.002(2) -0.002(2) 0.000(2)
O9 0.010(3) 0.005(2) 0.012(3) -0.001(2) 0.001(2) 0.001(2)
O10 0.012(3) 0.022(3) 0.008(3) -0.006(2) 0.003(2) -0.001(2)
O11 0.009(3) 0.010(3) 0.016(3) 0.000 -0.005(3) 0.000
O12 0.012(3) 0.015(3) 0.018(3) -0.001(2) 0.006(2) 0.001(2)
O13 0.011(4) 0.005(3) 0.013(4) 0.000 -0.002(3) 0.000
O14 0.006(3) 0.025(3) 0.010(3) 0.000(3) 0.001(2) -0.003(3)
O15 0.0095(14) 0.0109(14) 0.0117(14) 0.0001(9) 0.0006(9) 0.0005(9)
O16 0.0094(14) 0.0100(14) 0.0112(14) -0.0001(9) 0.0003(9) 0.0002(9)
O17 0.010(3) 0.011(3) 0.022(3) 0.002(2) 0.007(2) 0.002(2)
O18 0.0085(14) 0.0088(14) 0.0097(14) 0.0004(9) 0.0003(9) -0.0011(9)
O19 0.006(3) 0.007(3) 0.014(3) 0.001(2) -0.003(2) -0.001(2)
O20 0.015(3) 0.023(3) 0.014(3) -0.001(2) 0.006(2) -0.006(2)
O21 0.018(3) 0.035(3) 0.012(3) -0.002(3) -0.001(2) 0.002(3)
O22 0.024(3) 0.047(3) 0.019(3) -0.004(3) -0.001(2) -0.001(3)

_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 O3 2.293(6) . ?
Pb1 O17 2.379(6) . ?
Pb1 O3 2.469(6) 5_576 ?
Pb2 O4 2.227(6) . ?
Pb2 O12 2.463(6) . ?
Pb2 O17 2.578(6) . ?
Pb2 O15 2.718(6) . ?
Pb3 O3 2.318(5) . ?
Pb3 O13 2.497(5) . ?
Pb3 O9 2.614(6) . ?
Pb3 O9 2.734(6) 3_556 ?
Pb4 O4 2.231(6) . ?
Pb4 O12 2.482(7) . ?
Pb4 O16 2.585(6) . ?
Pb4 O11 2.699(4) . ?
Pb4 O20 2.756(6) . ?
Zn1 O21 1.855(7) . ?
Zn1 O2 1.949(6) . ?
Zn1 O18 1.960(6) . ?
Zn1 O5 1.982(6) . ?
Zn2 O22 1.814(8) . ?
Zn2 O7 1.944(6) . ?
Zn2 O1 1.955(6) . ?
Zn2 O8 1.973(6) . ?
B1 O12 1.323(12) . ?
B1 O16 1.394(11) 5_566 ?
B1 O5 1.406(11) 7_565 ?
B2 O7 1.461(11) . ?
B2 O16 1.473(11) 3_556 ?
B2 O14 1.479(11) 7_566 ?
B2 O2 1.487(11) . ?
B3 O19 1.454(11) . ?
B3 O18 1.468(11) 6_567 ?
B3 O3 1.480(12) . ?
B3 O13 1.517(10) . ?
B4 O15 1.450(11) . ?
B4 O1 1.456(11) 2_564 ?
B4 O20 1.474(12) . ?
B4 O5 1.490(11) 7_565 ?
B5 O18 1.459(11) 7_565 ?
B5 O10 1.469(11) . ?
B5 O9 1.471(11) 4_566 ?
B5 O1 1.517(11) 2_564 ?
B6 O11 1.457(10) . ?
B6 O9 1.467(11) . ?
B6 O7 1.470(11) 3_556 ?
B6 O4 1.486(11) . ?
B7 O22 1.302(13) . ?
B7 O20 1.377(11) . ?
B7 O10 1.386(12) . ?
B8 O17 1.337(12) . ?
B8 O8 1.377(11) 2_564 ?
B8 O15 1.388(11) . ?
B9 O19 1.430(11) 6_657 ?
B9 O6 1.442(11) . ?
B9 O8 1.504(11) . ?
B9 O2 1.505(11) . ?
B10 O14 1.342(11) . ?
B10 O21 1.342(12) . ?
B10 O6 1.388(12) 7_565 ?
O1 B4 1.456(11) 2_565 ?
O1 B5 1.517(11) 2_565 ?
O3 Pb1 2.469(6) 5_576 ?
O5 B1 1.406(11) 7_566 ?
O5 B4 1.490(11) 7_566 ?
O6 B10 1.388(12) 7_566 ?
O7 B6 1.470(11) 3_556 ?
O8 B8 1.377(11) 2_565 ?
O9 B5 1.471(11) 4_466 ?
O9 Pb3 2.734(6) 3_556 ?
O11 B6 1.457(10) 3_556 ?
O11 Pb4 2.699(4) 3_556 ?
O13 B3 1.517(10) 3_556 ?
O13 Pb3 2.497(5) 3_556 ?
O14 B2 1.479(11) 7_565 ?
O16 B1 1.394(11) 5_566 ?
O16 B2 1.473(11) 3_556 ?
O18 B5 1.459(11) 7_566 ?
O18 B3 1.468(11) 6_657 ?
O19 B9 1.430(11) 6_567 ?

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
O3 Pb1 O17 80.4(2) . . ?
O3 Pb1 O3 75.6(2) . 5_576 ?
O17 Pb1 O3 119.2(2) . 5_576 ?
O4 Pb2 O12 75.8(2) . . ?
O4 Pb2 O17 81.8(2) . . ?
O12 Pb2 O17 119.8(2) . . ?
O4 Pb2 O15 92.6(2) . . ?
O12 Pb2 O15 73.33(19) . . ?
O17 Pb2 O15 52.54(18) . . ?
O3 Pb3 O13 58.52(18) . . ?
O3 Pb3 O9 85.37(19) . . ?
O13 Pb3 O9 66.37(17) . . ?
O3 Pb3 O9 122.83(19) . 3_556 ?
O13 Pb3 O9 64.52(16) . 3_556 ?
O9 Pb3 O9 67.6(2) . 3_556 ?
O4 Pb4 O12 75.4(2) . . ?
O4 Pb4 O16 81.2(2) . . ?
O12 Pb4 O16 87.5(2) . . ?
O4 Pb4 O11 56.07(19) . . ?
O12 Pb4 O11 127.82(15) . . ?
O16 Pb4 O11 68.81(16) . . ?
O4 Pb4 O20 76.6(2) . . ?
O12 Pb4 O20 68.7(2) . . ?
O16 Pb4 O20 150.74(19) . . ?
O11 Pb4 O20 112.16(19) . . ?
O21 Zn1 O2 125.7(3) . . ?
O21 Zn1 O18 106.2(3) . . ?
O2 Zn1 O18 98.3(2) . . ?
O21 Zn1 O5 121.0(3) . . ?
O2 Zn1 O5 99.4(2) . . ?
O18 Zn1 O5 101.8(3) . . ?
O22 Zn2 O7 116.7(3) . . ?
O22 Zn2 O1 119.2(3) . . ?
O7 Zn2 O1 99.6(2) . . ?
O22 Zn2 O8 117.1(3) . . ?
O7 Zn2 O8 101.1(3) . . ?
O1 Zn2 O8 99.7(2) . . ?
O12 B1 O16 122.3(8) . 5_566 ?
O12 B1 O5 122.9(8) . 7_565 ?
O16 B1 O5 114.8(8) 5_566 7_565 ?
O7 B2 O16 107.9(7) . 3_556 ?
O7 B2 O14 111.1(7) . 7_566 ?
O16 B2 O14 108.8(7) 3_556 7_566 ?
O7 B2 O2 106.9(7) . . ?
O16 B2 O2 111.4(7) 3_556 . ?
O14 B2 O2 110.6(7) 7_566 . ?
O19 B3 O18 109.4(7) . 6_567 ?
O19 B3 O3 111.4(7) . . ?
O18 B3 O3 112.1(7) 6_567 . ?
O19 B3 O13 111.5(7) . . ?
O18 B3 O13 108.6(7) 6_567 . ?
O3 B3 O13 103.8(7) . . ?
O15 B4 O1 113.4(7) . 2_564 ?
O15 B4 O20 108.6(7) . . ?
O1 B4 O20 111.1(7) 2_564 . ?
O15 B4 O5 107.5(7) . 7_565 ?
O1 B4 O5 108.2(7) 2_564 7_565 ?
O20 B4 O5 107.7(7) . 7_565 ?
O18 B5 O10 113.2(7) 7_565 . ?
O18 B5 O9 108.5(7) 7_565 4_566 ?
O10 B5 O9 110.2(7) . 4_566 ?
O18 B5 O1 104.9(7) 7_565 2_564 ?
O10 B5 O1 108.5(7) . 2_564 ?
O9 B5 O1 111.5(7) 4_566 2_564 ?
O11 B6 O9 112.9(8) . . ?
O11 B6 O7 108.9(7) . 3_556 ?
O9 B6 O7 107.7(7) . 3_556 ?
O11 B6 O4 106.2(7) . . ?
O9 B6 O4 110.5(7) . . ?
O7 B6 O4 110.8(7) 3_556 . ?
O22 B7 O20 119.3(9) . . ?
O22 B7 O10 120.8(8) . . ?
O20 B7 O10 119.9(9) . . ?
O17 B8 O8 124.7(8) . 2_564 ?
O17 B8 O15 119.0(8) . . ?
O8 B8 O15 116.4(8) 2_564 . ?
O19 B9 O6 111.9(7) 6_657 . ?
O19 B9 O8 107.2(7) 6_657 . ?
O6 B9 O8 110.0(7) . . ?
O19 B9 O2 112.8(7) 6_657 . ?
O6 B9 O2 110.2(7) . . ?
O8 B9 O2 104.5(7) . . ?
O14 B10 O21 123.6(9) . . ?
O14 B10 O6 121.1(8) . 7_565 ?
O21 B10 O6 115.3(8) . 7_565 ?
B4 O1 B5 119.9(7) 2_565 2_565 ?
B4 O1 Zn2 116.7(5) 2_565 . ?
B5 O1 Zn2 113.3(5) 2_565 . ?
B2 O2 B9 118.6(7) . . ?
B2 O2 Zn1 119.8(5) . . ?
B9 O2 Zn1 111.7(5) . . ?
B3 O3 Pb1 125.9(5) . . ?
B3 O3 Pb3 97.9(5) . . ?
Pb1 O3 Pb3 114.5(2) . . ?
B3 O3 Pb1 98.7(5) . 5_576 ?
Pb1 O3 Pb1 104.4(2) . 5_576 ?
Pb3 O3 Pb1 115.0(2) . 5_576 ?
B6 O4 Pb2 127.7(5) . . ?
B6 O4 Pb4 103.7(5) . . ?
Pb2 O4 Pb4 112.1(2) . . ?
B1 O5 B4 124.2(7) 7_566 7_566 ?
B1 O5 Zn1 120.1(5) 7_566 . ?
B4 O5 Zn1 109.8(5) 7_566 . ?
B10 O6 B9 121.9(7) 7_566 . ?
B2 O7 B6 128.2(7) . 3_556 ?
B2 O7 Zn2 113.2(5) . . ?
B6 O7 Zn2 118.5(5) 3_556 . ?
B8 O8 B9 126.8(7) 2_565 . ?
B8 O8 Zn2 117.9(5) 2_565 . ?
B9 O8 Zn2 114.4(5) . . ?
B6 O9 B5 128.6(7) . 4_466 ?
B6 O9 Pb3 95.3(5) . . ?
B5 O9 Pb3 109.3(5) 4_466 . ?
B6 O9 Pb3 115.4(5) . 3_556 ?
B5 O9 Pb3 105.0(5) 4_466 3_556 ?
Pb3 O9 Pb3 98.51(19) . 3_556 ?
B7 O10 B5 121.9(7) . . ?
B6 O11 B6 138.7(10) 3_556 . ?
B6 O11 Pb4 118.5(4) 3_556 . ?
B6 O11 Pb4 85.2(4) . . ?
B6 O11 Pb4 85.2(4) 3_556 3_556 ?
B6 O11 Pb4 118.5(4) . 3_556 ?
Pb4 O11 Pb4 112.2(3) . 3_556 ?
B1 O12 Pb2 130.2(6) . . ?
B1 O12 Pb4 111.5(6) . . ?
Pb2 O12 Pb4 96.8(2) . . ?
B3 O13 B3 134.7(9) 3_556 . ?
B3 O13 Pb3 117.0(4) 3_556 . ?
B3 O13 Pb3 89.8(4) . . ?
B3 O13 Pb3 89.8(4) 3_556 3_556 ?
B3 O13 Pb3 117.0(4) . 3_556 ?
Pb3 O13 Pb3 108.5(3) . 3_556 ?
B10 O14 B2 124.1(7) . 7_565 ?
B8 O15 B4 125.3(7) . . ?
B8 O15 Pb2 90.5(5) . . ?
B4 O15 Pb2 118.2(5) . . ?
B1 O16 B2 126.4(7) 5_566 3_556 ?
B1 O16 Pb4 100.5(5) 5_566 . ?
B2 O16 Pb4 115.6(5) 3_556 . ?
B8 O17 Pb1 130.0(6) . . ?
B8 O17 Pb2 97.9(5) . . ?
Pb1 O17 Pb2 122.1(2) . . ?
B5 O18 B3 127.7(7) 7_566 6_657 ?
B5 O18 Zn1 114.7(5) 7_566 . ?
B3 O18 Zn1 115.4(5) 6_657 . ?
B9 O19 B3 124.6(7) 6_567 . ?
B7 O20 B4 124.0(7) . . ?
B7 O20 Pb4 104.0(6) . . ?
B4 O20 Pb4 127.7(5) . . ?
B10 O21 Zn1 156.8(7) . . ?
B7 O22 Zn2 179.3(7) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.54
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.306
_refine_diff_density_min         -2.167
_refine_diff_density_rms         0.340
_database_code_depnum_ccdc_archive 'CCDC 954072'