# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Johannes Beck'
_publ_contact_author_address     
;
Institut fur Anorganische Chemie
Rheinische Friedrich-Wilhelms-Universitat Bonn
Gerhard Domagk Str. 1
Bonn
D-53121
GERMANY
;

_publ_contact_author_email       J.BECK@UNI-BONN.DE

_publ_section_title              
;
[Bi6F11]7+ - an unusual, highly charged bismuth fluoro
complex in (Se4)[Bi6F11][AsF6]9 10 SO2
;
loop_
_publ_author_name
'Johannes Beck'
'Folker Steden'

data_Se4(Bi6F11)[AsF6]9_10SO2
_database_code_depnum_ccdc_archive 'CCDC 276950'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
Tetraselenium(2+) hexabismuthundekafluoro(7+)
nonakishexafluoroarsenate(-) - sulfurdioxide dekasolvate
;
_chemical_name_common            
;
Tetraselenium(2+) hexabismuthundekafluoro(7+)
nonakishexafluoroarsenate(-) - sulfurdioxide dekasolvate
;
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'As9 Bi6 F65 O20 S10 Se4'
_chemical_formula_weight         4119.6

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.36350(10)
_cell_length_b                   13.50240(10)
_cell_length_c                   15.05890(10)
_cell_angle_alpha                69.303(1)
_cell_angle_beta                 72.326(1)
_cell_angle_gamma                69.716(1)
_cell_volume                     1809.19(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    125(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.4198
_exptl_crystal_size_mid          0.0277
_exptl_crystal_size_min          0.0167
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1836
_exptl_absorpt_coefficient_mu    21.144
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.0115
_exptl_absorpt_correction_T_max  0.1639
_exptl_absorpt_process_details   'STOE X-Shape'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      125(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  'Bruker Nonius kappaCCD'
_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            19023
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.96
_diffrn_reflns_theta_max         30.55
_reflns_number_total             10273
_reflns_number_gt                9383
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_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^)+(0.0686P)^2^+14.9076P] where P=(Fo^2^+2Fc^2^)/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       0.00147(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         10273
_refine_ls_number_parameters     518
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.1273
_refine_ls_wR_factor_gt          0.1238
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.094
_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
Se1 Se 0.90915(10) 1.00587(8) 0.10690(6) 0.02548(18) Uani 1 1 d . . .
Se2 Se 1.13953(9) 0.99627(8) 0.03020(6) 0.02560(18) Uani 1 1 d . . .
Bi1 Bi 0.81255(3) 0.44384(2) 0.315887(19) 0.01392(8) Uani 1 1 d . . .
Bi2 Bi 0.45908(3) 0.67169(2) 0.423866(19) 0.01300(8) Uani 1 1 d . . .
Bi3 Bi 0.39633(3) 0.44904(2) 0.313927(19) 0.01360(8) Uani 1 1 d . . .
F71 F 0.5000 0.5000 0.5000 0.0192(12) Uani 1 2 d S . .
F72 F 0.7352(5) 0.3580(4) 0.4609(3) 0.0151(8) Uani 1 1 d . . .
F73 F 0.6826(5) 0.5868(4) 0.3600(3) 0.0170(8) Uani 1 1 d . . .
F74 F 0.4144(5) 0.3640(4) 0.4612(3) 0.0183(9) Uani 1 1 d . . .
F75 F 0.3675(5) 0.5925(4) 0.3562(3) 0.0185(9) Uani 1 1 d . . .
F76 F 0.6108(5) 0.4429(4) 0.3035(4) 0.0196(9) Uani 1 1 d . . .
As1 As 0.0000 0.5000 0.5000 0.01361(19) Uani 1 2 d S . .
F11 F 0.0674(6) 0.5497(5) 0.5619(4) 0.0288(11) Uani 1 1 d . . .
F12 F 0.1479(5) 0.5048(5) 0.4061(4) 0.0244(10) Uani 1 1 d . . .
F13 F 0.0807(6) 0.3692(4) 0.5559(4) 0.0259(10) Uani 1 1 d . . .
As2 As 0.20635(9) 0.20531(7) 0.33722(7) 0.02153(17) Uani 1 1 d . . .
F21 F 0.2683(6) 0.3021(5) 0.3537(5) 0.0341(13) Uani 1 1 d . . .
F22 F 0.0579(7) 0.3107(6) 0.3115(7) 0.050(2) Uani 1 1 d . . .
F23 F 0.1390(7) 0.1169(6) 0.3189(6) 0.0485(18) Uani 1 1 d . . .
F24 F 0.1229(11) 0.1820(8) 0.4554(6) 0.064(2) Uani 1 1 d . . .
F25 F 0.2828(10) 0.2391(9) 0.2183(6) 0.069(3) Uani 1 1 d . . .
F26 F 0.3521(9) 0.1051(7) 0.3637(10) 0.079(3) Uani 1 1 d . . .
As3 As 0.58137(9) 0.70154(7) 0.11641(6) 0.01978(16) Uani 1 1 d . . .
F31 F 0.4816(5) 0.6066(4) 0.1668(4) 0.0229(10) Uani 1 1 d . . .
F32 F 0.7222(5) 0.5995(4) 0.1639(4) 0.0241(10) Uani 1 1 d . . .
F33 F 0.5227(5) 0.7378(4) 0.2252(4) 0.0249(10) Uani 1 1 d . . .
F34 F 0.6400(7) 0.6593(6) 0.0134(4) 0.0370(14) Uani 1 1 d . . .
F35 F 0.6804(6) 0.7925(5) 0.0704(5) 0.0358(13) Uani 1 1 d . . .
F36 F 0.4393(6) 0.7983(5) 0.0748(5) 0.0326(12) Uani 1 1 d . . .
As4 As 0.71383(8) 0.14735(6) 0.37026(6) 0.01741(15) Uani 1 1 d . . .
F41 F 0.8071(5) 0.2475(4) 0.3261(4) 0.0210(9) Uani 1 1 d . . .
F42 F 0.6162(6) 0.0547(4) 0.4147(4) 0.0274(11) Uani 1 1 d . . .
F43 F 0.8522(5) 0.0535(4) 0.4175(4) 0.0280(11) Uani 1 1 d . . .
F44 F 0.7773(6) 0.1162(5) 0.2623(4) 0.0303(12) Uani 1 1 d . . .
F45 F 0.5715(5) 0.2496(4) 0.3243(4) 0.0214(9) Uani 1 1 d . . .
F46 F 0.6459(5) 0.1844(4) 0.4794(3) 0.0210(9) Uani 1 1 d . . .
As5 As 0.07779(8) 0.65433(7) 0.15942(6) 0.01912(16) Uani 1 1 d . . .
F51 F 0.2233(6) 0.5513(5) 0.1961(4) 0.0307(12) Uani 1 1 d . . .
F52 F -0.0276(6) 0.5734(6) 0.2452(5) 0.0369(14) Uani 1 1 d . . .
F53 F 0.0719(7) 0.7124(5) 0.2451(5) 0.0383(14) Uani 1 1 d . . .
F54 F 0.1850(7) 0.7306(6) 0.0753(5) 0.0426(15) Uani 1 1 d . . .
F55 F 0.0879(9) 0.5889(6) 0.0774(5) 0.0453(16) Uani 1 1 d . . .
F56 F -0.0684(7) 0.7532(5) 0.1258(6) 0.0470(17) Uani 1 1 d . . .
S1 S 0.7078(2) 0.83682(17) 0.39642(15) 0.0215(4) Uani 1 1 d . . .
O11 O 0.6050(7) 0.8220(5) 0.3589(5) 0.0248(12) Uani 1 1 d . . .
O12 O 0.8202(7) 0.8751(6) 0.3258(5) 0.0277(13) Uani 1 1 d . . .
S2 S 0.5774(3) 0.3383(2) 0.07612(19) 0.0352(5) Uani 1 1 d . . .
O21 O 0.5012(9) 0.4050(7) 0.1396(5) 0.0384(17) Uani 1 1 d . . .
O22 O 0.6103(11) 0.2218(8) 0.1167(7) 0.053(2) Uani 1 1 d . . .
S3 S 0.1088(2) 0.8977(2) 0.33555(16) 0.0277(4) Uani 1 1 d . . .
O31 O 0.0935(7) 0.9544(5) 0.2385(5) 0.0248(12) Uani 1 1 d . . .
O32 O 0.2470(7) 0.8355(6) 0.3506(6) 0.0348(16) Uani 1 1 d . . .
S4 S 0.4846(3) 1.0032(3) 0.1685(2) 0.0404(6) Uani 1 1 d . . .
O41 O 0.6279(9) 1.0001(8) 0.1282(7) 0.048(2) Uani 1 1 d . . .
O42 O 0.3935(11) 1.0253(9) 0.1083(8) 0.060(3) Uani 1 1 d . . .
S5 S 0.0392(2) 0.3209(2) 0.08999(17) 0.0281(4) Uani 1 1 d . . .
O51 O -0.0676(9) 0.3944(7) 0.1400(5) 0.0391(18) Uani 1 1 d . . .
O52 O 0.0269(10) 0.2145(7) 0.1102(7) 0.049(2) Uani 1 1 d . . .

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
Se1 0.0278(4) 0.0315(4) 0.0191(4) -0.0112(3) -0.0043(3) -0.0065(3)
Se2 0.0262(4) 0.0317(4) 0.0223(4) -0.0105(3) -0.0077(3) -0.0065(3)
Bi1 0.00947(12) 0.01756(14) 0.01521(13) -0.00667(10) -0.00161(9) -0.00285(9)
Bi2 0.01148(13) 0.01408(13) 0.01400(13) -0.00473(9) -0.00348(9) -0.00254(9)
Bi3 0.01181(13) 0.01719(14) 0.01414(13) -0.00642(10) -0.00395(9) -0.00349(9)
F71 0.020(3) 0.020(3) 0.021(3) -0.008(3) -0.008(3) -0.003(2)
F72 0.0145(19) 0.016(2) 0.0142(19) -0.0032(16) -0.0041(16) -0.0030(16)
F73 0.0124(19) 0.017(2) 0.018(2) -0.0035(17) -0.0012(16) -0.0037(16)
F74 0.018(2) 0.023(2) 0.017(2) -0.0088(18) -0.0039(17) -0.0063(18)
F75 0.015(2) 0.022(2) 0.019(2) -0.0084(18) -0.0051(17) -0.0018(17)
F76 0.014(2) 0.018(2) 0.027(2) -0.0056(18) -0.0065(18) -0.0041(17)
As1 0.0100(4) 0.0186(5) 0.0143(4) -0.0076(4) -0.0032(3) -0.0027(3)
F11 0.030(3) 0.042(3) 0.027(3) -0.015(2) -0.011(2) -0.015(2)
F12 0.016(2) 0.035(3) 0.021(2) -0.011(2) 0.0007(18) -0.005(2)
F13 0.026(2) 0.022(2) 0.021(2) -0.0036(19) -0.002(2) -0.0003(19)
As2 0.0168(4) 0.0212(4) 0.0319(4) -0.0115(3) -0.0104(3) -0.0025(3)
F21 0.028(3) 0.030(3) 0.056(4) -0.018(3) -0.012(3) -0.013(2)
F22 0.028(3) 0.040(4) 0.094(6) -0.037(4) -0.034(4) 0.012(3)
F23 0.038(3) 0.049(4) 0.081(5) -0.040(4) -0.018(4) -0.010(3)
F24 0.103(7) 0.072(6) 0.036(4) -0.009(4) -0.006(4) -0.061(5)
F25 0.078(6) 0.092(7) 0.049(5) -0.043(5) 0.022(4) -0.044(5)
F26 0.051(5) 0.039(4) 0.169(11) -0.039(6) -0.065(6) 0.011(4)
As3 0.0177(4) 0.0236(4) 0.0165(4) -0.0021(3) -0.0049(3) -0.0062(3)
F31 0.023(2) 0.028(2) 0.021(2) -0.0052(19) -0.0049(19) -0.011(2)
F32 0.017(2) 0.028(3) 0.021(2) -0.004(2) -0.0032(18) -0.0034(19)
F33 0.022(2) 0.025(2) 0.030(3) -0.011(2) -0.005(2) -0.0053(19)
F34 0.033(3) 0.057(4) 0.020(2) -0.013(3) -0.001(2) -0.012(3)
F35 0.028(3) 0.036(3) 0.039(3) 0.005(3) -0.012(2) -0.016(2)
F36 0.027(3) 0.028(3) 0.037(3) 0.000(2) -0.014(2) -0.004(2)
As4 0.0158(3) 0.0157(3) 0.0204(4) -0.0088(3) -0.0011(3) -0.0023(3)
F41 0.016(2) 0.017(2) 0.026(2) -0.0088(18) 0.0003(18) -0.0023(17)
F42 0.027(3) 0.023(2) 0.034(3) -0.011(2) -0.003(2) -0.009(2)
F43 0.022(2) 0.021(2) 0.035(3) -0.004(2) -0.008(2) 0.0009(19)
F44 0.035(3) 0.030(3) 0.029(3) -0.019(2) 0.001(2) -0.007(2)
F45 0.019(2) 0.022(2) 0.023(2) -0.0084(19) -0.0058(18) -0.0018(18)
F46 0.021(2) 0.021(2) 0.019(2) -0.0050(18) -0.0034(18) -0.0037(18)
As5 0.0170(3) 0.0204(4) 0.0203(4) -0.0027(3) -0.0068(3) -0.0059(3)
F51 0.021(2) 0.035(3) 0.034(3) -0.011(2) -0.010(2) 0.000(2)
F52 0.029(3) 0.045(4) 0.038(3) 0.000(3) -0.005(2) -0.025(3)
F53 0.050(4) 0.035(3) 0.036(3) -0.016(3) -0.006(3) -0.016(3)
F54 0.044(4) 0.049(4) 0.033(3) -0.005(3) 0.002(3) -0.025(3)
F55 0.070(5) 0.042(4) 0.034(3) -0.012(3) -0.025(3) -0.012(3)
F56 0.031(3) 0.029(3) 0.074(5) -0.002(3) -0.029(3) 0.004(2)
S1 0.0219(9) 0.0213(9) 0.0229(9) -0.0057(7) -0.0050(7) -0.0079(7)
O11 0.026(3) 0.025(3) 0.027(3) -0.003(2) -0.006(2) -0.015(2)
O12 0.022(3) 0.026(3) 0.033(3) -0.008(3) -0.002(3) -0.008(2)
S2 0.0389(13) 0.0329(12) 0.0273(11) -0.0130(10) -0.0028(10) -0.0006(10)
O21 0.049(4) 0.036(4) 0.027(3) -0.015(3) -0.005(3) -0.003(3)
O22 0.061(6) 0.047(5) 0.044(5) -0.018(4) -0.011(4) -0.001(4)
S3 0.0175(9) 0.0355(12) 0.0218(10) -0.0049(8) -0.0061(8) 0.0015(8)
O31 0.028(3) 0.025(3) 0.023(3) -0.003(2) -0.014(2) -0.005(2)
O32 0.026(3) 0.030(4) 0.043(4) -0.011(3) -0.019(3) 0.010(3)
S4 0.0340(13) 0.0443(15) 0.0392(14) -0.0123(12) -0.0076(11) -0.0052(11)
O41 0.035(4) 0.056(5) 0.051(5) -0.013(4) -0.009(4) -0.012(4)
O42 0.055(6) 0.058(6) 0.071(7) -0.010(5) -0.026(5) -0.017(5)
S5 0.0272(10) 0.0356(12) 0.0234(10) -0.0121(9) -0.0040(8) -0.0076(9)
O51 0.051(5) 0.037(4) 0.022(3) -0.014(3) -0.007(3) 0.001(3)
O52 0.061(6) 0.037(4) 0.040(4) -0.016(4) 0.004(4) -0.008(4)

_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
Se1 Se2 2.2809(11) 2_775 ?
Se1 Se2 2.2952(13) . ?
Se2 Se1 2.2809(11) 2_775 ?
Bi1 F73 2.131(4) . ?
Bi1 F72 2.132(4) . ?
Bi1 F76 2.160(4) . ?
Bi1 F22 2.552(6) 1_655 ?
Bi1 F11 2.553(5) 2_666 ?
Bi1 F52 2.561(6) 1_655 ?
Bi1 F41 2.621(5) . ?
Bi1 F32 2.659(5) . ?
Bi2 F71 2.1455(3) . ?
Bi2 F75 2.269(5) . ?
Bi2 F72 2.274(4) 2_666 ?
Bi2 F73 2.278(4) . ?
Bi2 F74 2.302(4) 2_666 ?
Bi2 F46 2.580(5) 2_666 ?
Bi2 O11 2.681(6) . ?
Bi2 O32 2.705(6) . ?
Bi2 F33 2.739(6) . ?
Bi3 F74 2.139(5) . ?
Bi3 F75 2.144(5) . ?
Bi3 F76 2.154(4) . ?
Bi3 F12 2.519(5) . ?
Bi3 F21 2.562(5) . ?
Bi3 F51 2.599(6) . ?
Bi3 F31 2.645(5) . ?
Bi3 F45 2.656(5) . ?
Bi3 O21 2.711(7) . ?
F71 Bi2 2.1455(3) 2_666 ?
F72 Bi2 2.274(4) 2_666 ?
F74 Bi2 2.302(4) 2_666 ?
As1 F13 1.697(5) . ?
As1 F13 1.697(5) 2_566 ?
As1 F11 1.724(5) 2_566 ?
As1 F11 1.724(5) . ?
As1 F12 1.744(5) . ?
As1 F12 1.744(5) 2_566 ?
F11 Bi1 2.553(5) 2_666 ?
As2 F26 1.685(7) . ?
As2 F25 1.689(8) . ?
As2 F24 1.695(8) . ?
As2 F23 1.708(6) . ?
As2 F22 1.731(6) . ?
As2 F21 1.757(5) . ?
F22 Bi1 2.552(6) 1_455 ?
As3 F35 1.697(6) . ?
As3 F34 1.707(6) . ?
As3 F36 1.708(5) . ?
As3 F31 1.745(5) . ?
As3 F33 1.746(5) . ?
As3 F32 1.756(5) . ?
As4 F43 1.700(5) . ?
As4 F44 1.701(5) . ?
As4 F42 1.706(5) . ?
As4 F46 1.755(5) . ?
As4 F41 1.756(5) . ?
As4 F45 1.759(5) . ?
F46 Bi2 2.580(5) 2_666 ?
As5 F54 1.707(7) . ?
As5 F53 1.708(6) . ?
As5 F56 1.709(6) . ?
As5 F55 1.717(6) . ?
As5 F51 1.739(6) . ?
As5 F52 1.741(6) . ?
F52 Bi1 2.561(6) 1_455 ?
S1 O12 1.425(7) . ?
S1 O11 1.446(6) . ?
S2 O21 1.417(7) . ?
S2 O22 1.427(10) . ?
S3 O31 1.419(6) . ?
S3 O32 1.428(7) . ?
S4 O42 1.391(10) . ?
S4 O41 1.415(9) . ?
S5 O52 1.403(9) . ?
S5 O51 1.427(7) . ?

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
Se2 Se1 Se2 90.34(4) 2_775 . ?
Se1 Se2 Se1 89.66(4) 2_775 . ?
F73 Bi1 F72 84.20(17) . . ?
F73 Bi1 F76 80.01(17) . . ?
F72 Bi1 F76 79.34(18) . . ?
F73 Bi1 F22 142.67(19) . 1_655 ?
F72 Bi1 F22 92.9(2) . 1_655 ?
F76 Bi1 F22 136.12(19) . 1_655 ?
F73 Bi1 F11 76.38(18) . 2_666 ?
F72 Bi1 F11 67.48(18) . 2_666 ?
F76 Bi1 F11 140.71(19) . 2_666 ?
F22 Bi1 F11 68.3(2) 1_655 2_666 ?
F73 Bi1 F52 77.5(2) . 1_655 ?
F72 Bi1 F52 132.48(19) . 1_655 ?
F76 Bi1 F52 137.69(19) . 1_655 ?
F22 Bi1 F52 77.4(2) 1_655 1_655 ?
F11 Bi1 F52 65.7(2) 2_666 1_655 ?
F73 Bi1 F41 140.86(16) . . ?
F72 Bi1 F41 68.69(16) . . ?
F76 Bi1 F41 67.95(16) . . ?
F22 Bi1 F41 69.03(19) 1_655 . ?
F11 Bi1 F41 115.28(18) 2_666 . ?
F52 Bi1 F41 141.67(19) 1_655 . ?
F73 Bi1 F32 70.75(17) . . ?
F72 Bi1 F32 140.84(16) . . ?
F76 Bi1 F32 67.28(17) . . ?
F22 Bi1 F32 125.2(2) 1_655 . ?
F11 Bi1 F32 130.47(18) 2_666 . ?
F52 Bi1 F32 71.63(18) 1_655 . ?
F41 Bi1 F32 113.66(16) . . ?
F71 Bi2 F75 72.61(12) . . ?
F71 Bi2 F72 71.33(11) . 2_666 ?
F75 Bi2 F72 78.13(16) . 2_666 ?
F71 Bi2 F73 71.99(12) . . ?
F75 Bi2 F73 91.53(16) . . ?
F72 Bi2 F73 143.31(16) 2_666 . ?
F71 Bi2 F74 71.11(12) . 2_666 ?
F75 Bi2 F74 143.67(17) . 2_666 ?
F72 Bi2 F74 92.16(16) 2_666 2_666 ?
F73 Bi2 F74 75.49(16) . 2_666 ?
F71 Bi2 F46 119.60(11) . 2_666 ?
F75 Bi2 F46 134.48(16) . 2_666 ?
F72 Bi2 F46 67.38(16) 2_666 2_666 ?
F73 Bi2 F46 133.76(16) . 2_666 ?
F74 Bi2 F46 68.55(16) 2_666 2_666 ?
F71 Bi2 O11 135.14(14) . . ?
F75 Bi2 O11 136.12(19) . . ?
F72 Bi2 O11 136.26(18) 2_666 . ?
F73 Bi2 O11 73.59(18) . . ?
F74 Bi2 O11 73.10(18) 2_666 . ?
F46 Bi2 O11 68.90(18) 2_666 . ?
F71 Bi2 O32 138.41(18) . . ?
F75 Bi2 O32 75.4(2) . . ?
F72 Bi2 O32 76.7(2) 2_666 . ?
F73 Bi2 O32 135.0(2) . . ?
F74 Bi2 O32 136.8(2) 2_666 . ?
F46 Bi2 O32 68.62(19) 2_666 . ?
O11 Bi2 O32 86.5(2) . . ?
F71 Bi2 F33 120.25(11) . . ?
F75 Bi2 F33 67.30(16) . . ?
F72 Bi2 F33 135.51(15) 2_666 . ?
F73 Bi2 F33 66.89(16) . . ?
F74 Bi2 F33 132.21(16) 2_666 . ?
F46 Bi2 F33 120.14(15) 2_666 . ?
O11 Bi2 F33 68.89(18) . . ?
O32 Bi2 F33 68.3(2) . . ?
F74 Bi3 F75 84.11(18) . . ?
F74 Bi3 F76 80.54(18) . . ?
F75 Bi3 F76 78.86(17) . . ?
F74 Bi3 F12 77.36(17) . . ?
F75 Bi3 F12 70.53(18) . . ?
F76 Bi3 F12 143.66(17) . . ?
F74 Bi3 F21 78.4(2) . . ?
F75 Bi3 F21 138.25(19) . . ?
F76 Bi3 F21 133.67(18) . . ?
F12 Bi3 F21 68.77(19) . . ?
F74 Bi3 F51 145.09(18) . . ?
F75 Bi3 F51 93.67(18) . . ?
F76 Bi3 F51 133.33(19) . . ?
F12 Bi3 F51 69.18(17) . . ?
F21 Bi3 F51 80.5(2) . . ?
F74 Bi3 F31 140.56(16) . . ?
F75 Bi3 F31 67.71(17) . . ?
F76 Bi3 F31 67.73(17) . . ?
F12 Bi3 F31 115.41(17) . . ?
F21 Bi3 F31 140.77(18) . . ?
F51 Bi3 F31 66.88(17) . . ?
F74 Bi3 F45 70.05(17) . . ?
F75 Bi3 F45 139.35(16) . . ?
F76 Bi3 F45 66.63(16) . . ?
F12 Bi3 F45 129.34(17) . . ?
F21 Bi3 F45 67.48(17) . . ?
F51 Bi3 F45 125.46(17) . . ?
F31 Bi3 F45 114.47(16) . . ?
F74 Bi3 O21 136.8(2) . . ?
F75 Bi3 O21 131.3(2) . . ?
F76 Bi3 O21 83.3(2) . . ?
F12 Bi3 O21 131.9(2) . . ?
F21 Bi3 O21 84.5(2) . . ?
F51 Bi3 O21 67.3(2) . . ?
F31 Bi3 O21 63.6(2) . . ?
F45 Bi3 O21 66.7(2) . . ?
Bi2 F71 Bi2 180.000(15) 2_666 . ?
Bi1 F72 Bi2 145.8(2) . 2_666 ?
Bi1 F73 Bi2 144.4(2) . . ?
Bi3 F74 Bi2 144.0(2) . 2_666 ?
Bi3 F75 Bi2 145.1(2) . . ?
Bi3 F76 Bi1 170.3(3) . . ?
F13 As1 F13 180.0(4) . 2_566 ?
F13 As1 F11 89.7(3) . 2_566 ?
F13 As1 F11 90.3(3) 2_566 2_566 ?
F13 As1 F11 90.3(3) . . ?
F13 As1 F11 89.7(3) 2_566 . ?
F11 As1 F11 180.0(3) 2_566 . ?
F13 As1 F12 90.1(3) . . ?
F13 As1 F12 89.9(3) 2_566 . ?
F11 As1 F12 89.8(3) 2_566 . ?
F11 As1 F12 90.2(3) . . ?
F13 As1 F12 89.9(3) . 2_566 ?
F13 As1 F12 90.1(3) 2_566 2_566 ?
F11 As1 F12 90.2(3) 2_566 2_566 ?
F11 As1 F12 89.8(3) . 2_566 ?
F12 As1 F12 180.000(1) . 2_566 ?
As1 F11 Bi1 161.0(3) . 2_666 ?
As1 F12 Bi3 159.4(3) . . ?
F26 As2 F25 91.5(6) . . ?
F26 As2 F24 92.3(6) . . ?
F25 As2 F24 175.5(5) . . ?
F26 As2 F23 91.9(4) . . ?
F25 As2 F23 90.3(4) . . ?
F24 As2 F23 92.1(4) . . ?
F26 As2 F22 178.3(4) . . ?
F25 As2 F22 89.0(5) . . ?
F24 As2 F22 87.2(5) . . ?
F23 As2 F22 89.8(3) . . ?
F26 As2 F21 91.2(3) . . ?
F25 As2 F21 89.1(4) . . ?
F24 As2 F21 88.3(3) . . ?
F23 As2 F21 176.9(3) . . ?
F22 As2 F21 87.2(3) . . ?
As2 F21 Bi3 159.6(4) . . ?
As2 F22 Bi1 166.0(5) . 1_455 ?
F35 As3 F34 91.8(3) . . ?
F35 As3 F36 92.2(3) . . ?
F34 As3 F36 92.2(3) . . ?
F35 As3 F31 178.3(3) . . ?
F34 As3 F31 89.3(3) . . ?
F36 As3 F31 89.0(3) . . ?
F35 As3 F33 90.3(3) . . ?
F34 As3 F33 177.1(3) . . ?
F36 As3 F33 89.8(3) . . ?
F31 As3 F33 88.6(2) . . ?
F35 As3 F32 89.9(3) . . ?
F34 As3 F32 89.2(3) . . ?
F36 As3 F32 177.4(3) . . ?
F31 As3 F32 88.8(2) . . ?
F33 As3 F32 88.7(2) . . ?
As3 F31 Bi3 150.2(3) . . ?
As3 F32 Bi1 148.0(3) . . ?
As3 F33 Bi2 148.1(3) . . ?
F43 As4 F44 92.4(3) . . ?
F43 As4 F42 92.2(3) . . ?
F44 As4 F42 92.2(3) . . ?
F43 As4 F46 89.3(3) . . ?
F44 As4 F46 178.0(3) . . ?
F42 As4 F46 88.9(2) . . ?
F43 As4 F41 89.9(3) . . ?
F44 As4 F41 89.5(3) . . ?
F42 As4 F41 177.3(2) . . ?
F46 As4 F41 89.4(2) . . ?
F43 As4 F45 176.8(3) . . ?
F44 As4 F45 90.0(3) . . ?
F42 As4 F45 89.9(3) . . ?
F46 As4 F45 88.3(2) . . ?
F41 As4 F45 87.9(2) . . ?
As4 F41 Bi1 148.0(2) . . ?
As4 F45 Bi3 148.3(3) . . ?
As4 F46 Bi2 152.1(3) . 2_666 ?
F54 As5 F53 90.7(3) . . ?
F54 As5 F56 91.2(4) . . ?
F53 As5 F56 91.4(4) . . ?
F54 As5 F55 90.9(4) . . ?
F53 As5 F55 176.8(3) . . ?
F56 As5 F55 91.4(4) . . ?
F54 As5 F51 90.5(3) . . ?
F53 As5 F51 88.7(3) . . ?
F56 As5 F51 178.3(3) . . ?
F55 As5 F51 88.5(3) . . ?
F54 As5 F52 178.5(3) . . ?
F53 As5 F52 89.8(3) . . ?
F56 As5 F52 90.2(3) . . ?
F55 As5 F52 88.6(4) . . ?
F51 As5 F52 88.1(3) . . ?
As5 F51 Bi3 152.0(3) . . ?
As5 F52 Bi1 159.4(4) . 1_455 ?
O12 S1 O11 115.9(4) . . ?
S1 O11 Bi2 132.1(4) . . ?
O21 S2 O22 118.0(5) . . ?
S2 O21 Bi3 155.5(5) . . ?
O31 S3 O32 117.2(4) . . ?
S3 O32 Bi2 160.7(5) . . ?
O42 S4 O41 120.0(7) . . ?
O52 S5 O51 118.5(5) . . ?

_diffrn_measured_fraction_theta_max 0.927
_diffrn_reflns_theta_full        30.55
_diffrn_measured_fraction_theta_full 0.927
_refine_diff_density_max         4.159
_refine_diff_density_min         -5.668
_refine_diff_density_rms         0.406