#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:12:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179958 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/52/7025226.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7025226
loop_
_publ_author_name
'Zhang, Haitao'
'Yang, Jen-Hsien'
'Dikarev, Evgeny V.'
_publ_section_title
;
 Fluorinated tetraolate: prospective ligand for the synthesis of
 polymetallic complexes.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2484
_journal_page_last               2486
_journal_paper_doi               10.1039/b925952j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety
;
C30 H8 Bi4 F36 O16, 5(C4 H8 O)
;
_chemical_formula_sum            'C50 H48 Bi4 F36 O21'
_chemical_formula_weight         2504.80
_chemical_melting_point          ?
_chemical_name_common
;
di(hexafluoropentanetetraolate)-
tetra(hexafluoroacetylacetonate) -penta(tetrahydrofuran)-
tetrabismuth(iii)
;
_chemical_name_systematic
;
di(hexafluoropentanetetraolate)-tetra(hexafluoroacetylacetonate)
-penta(tetrahydrofuran)-tetrabismuth(III)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.491(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.824(3)
_cell_length_b                   31.843(6)
_cell_length_c                   16.016(3)
_cell_measurement_reflns_used    6805
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.38
_cell_volume                     7394(2)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXCIF-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide ω exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31147
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.38
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    9.648
_exptl_absorpt_correction_T_max  0.4167
_exptl_absorpt_correction_T_min  0.2755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker-AXS 2003)
;
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.250
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             4688
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.583
_refine_diff_density_min         -1.224
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         8673
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0585P)²+70.0063P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1163
_refine_ls_wR_factor_ref         0.1284
_reflns_number_gt                6573
_reflns_number_total             8673
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b925952j.txt
_cod_data_source_block           Bi4(CF3CO2CH2CO2CF3)2(CF3COCHCOCF3)4(THF)5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7025226
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Bi1 Bi 0.36462(2) 0.069603(9) 0.18823(2) 0.04477(11) Uani 1 1 d . . .
Bi2 Bi 0.40647(2) 0.184419(9) 0.28416(2) 0.04504(11) Uani 1 1 d . . .
O1 O 0.1894(5) 0.0686(2) 0.1352(6) 0.0697(19) Uani 1 1 d . A .
O2 O 0.2772(4) 0.0519(2) 0.0231(5) 0.0616(17) Uani 1 1 d . A .
O4 O 0.4401(5) 0.1943(2) 0.4437(5) 0.073(2) Uani 1 1 d . F .
O5 O 0.3434(4) 0.13355(19) 0.1367(5) 0.0549(15) Uani 1 1 d . F .
O6 O 0.4438(4) 0.18291(17) 0.1486(5) 0.0553(16) Uani 1 1 d . . .
O7 O 0.4736(4) 0.06814(17) 0.1546(4) 0.0464(13) Uani 1 1 d . . .
O8 O 0.4267(4) 0.11915(16) 0.3317(4) 0.0436(13) Uani 1 1 d . F .
O9 O 0.3840(5) -0.0110(2) 0.1921(5) 0.0663(18) Uani 1 1 d . . .
O10 O 0.4880(10) 0.2561(5) 0.2782(10) 0.070(4) Uiso 0.50 1 d P . .
O11 O 0.2523(5) 0.1593(2) 0.2634(6) 0.0723(19) Uani 1 1 d . E .
C1 C 0.0264(9) 0.0639(5) 0.0572(11) 0.106(5) Uani 1 1 d D A 1
F1 F 0.0087(14) 0.1045(4) 0.0648(13) 0.083(6) Uiso 0.40 1 d PD A 1
F2 F 0.0327(16) 0.0439(9) 0.1320(15) 0.089(6) Uiso 0.40 1 d PD A 1
F3 F -0.0444(14) 0.0481(6) -0.0300(11) 0.090(3) Uiso 0.40 1 d PD A 1
F1X F -0.007(2) 0.1032(6) 0.019(2) 0.112(6) Uiso 0.30 1 d PD A 2
F2X F 0.039(3) 0.0665(13) 0.1446(16) 0.135(14) Uiso 0.30 1 d PD A 2
F3X F -0.0376(17) 0.0357(7) -0.0024(17) 0.090(3) Uiso 0.30 1 d PD A 2
F1Y F 0.017(2) 0.0961(8) 0.105(2) 0.112(6) Uiso 0.30 1 d PD A 3
F2Y F 0.025(2) 0.0304(7) 0.106(2) 0.095(10) Uiso 0.30 1 d PD A 3
F3Y F -0.0475(16) 0.0645(8) -0.0367(12) 0.090(3) Uiso 0.30 1 d PD A 3
C2 C 0.1186(7) 0.0630(3) 0.0545(9) 0.066(3) Uani 1 1 d . . .
C3 C 0.1158(7) 0.0539(4) -0.0329(9) 0.072(3) Uani 1 1 d . A .
H3 H 0.0569 0.0504 -0.0895 0.086 Uiso 1 1 calc R . .
C4 C 0.1918(6) 0.0499(3) -0.0422(6) 0.058(2) Uani 1 1 d . . .
C5 C 0.1801(7) 0.0396(4) -0.1410(8) 0.078(3) Uani 1 1 d D A 1
F4 F 0.2349(11) 0.0073(5) -0.1380(14) 0.103(3) Uiso 0.50 1 d PD A 1
F5 F 0.2126(12) 0.0730(5) -0.1695(12) 0.087(5) Uiso 0.50 1 d PD A 1
F6 F 0.0957(9) 0.0268(5) -0.2062(10) 0.090(4) Uiso 0.50 1 d PD A 1
F4X F 0.2044(12) 0.0001(4) -0.1420(14) 0.103(3) Uiso 0.50 1 d PD A 2
F5X F 0.2370(12) 0.0617(6) -0.1641(14) 0.099(6) Uiso 0.50 1 d PD A 2
F6X F 0.0946(9) 0.0506(5) -0.2159(10) 0.091(4) Uiso 0.50 1 d PD A 2
C11 C 0.2991(7) 0.1811(3) 0.0090(8) 0.066(3) Uani 1 1 d . F .
C12 C 0.3789(5) 0.1543(2) 0.0850(6) 0.0440(18) Uani 1 1 d . . .
C13 C 0.5881(5) 0.1252(2) 0.4655(6) 0.0442(18) Uani 1 1 d . . .
H13A H 0.5702 0.1424 0.5049 0.053 Uiso 1 1 calc R . .
H13B H 0.6401 0.1070 0.5104 0.053 Uiso 1 1 calc R . .
C14 C 0.5068(5) 0.0973(2) 0.3984(5) 0.0399(17) Uani 1 1 d . . .
C15 C 0.4783(7) 0.0705(3) 0.4594(6) 0.051(2) Uani 1 1 d . F .
C16 C 0.317(2) -0.0302(8) 0.2168(18) 0.060(8) Uiso 0.50 1 d PD B 1
H16A H 0.3496 -0.0454 0.2793 0.071 Uiso 0.50 1 calc PR B 1
H16B H 0.2770 -0.0084 0.2210 0.071 Uiso 0.50 1 calc PR B 1
C17 C 0.264(2) -0.0583(10) 0.139(2) 0.108(10) Uiso 0.50 1 d PD B 1
H17A H 0.1991 -0.0486 0.1030 0.130 Uiso 0.50 1 calc PR B 1
H17B H 0.2649 -0.0866 0.1658 0.130 Uiso 0.50 1 calc PR B 1
C18 C 0.3009(18) -0.0610(8) 0.0729(18) 0.070(6) Uiso 0.50 1 d PD B 1
H18A H 0.2567 -0.0488 0.0090 0.084 Uiso 0.50 1 calc PR B 1
H18B H 0.3126 -0.0906 0.0635 0.084 Uiso 0.50 1 calc PR B 1
C16X C 0.341(2) -0.0339(8) 0.2334(19) 0.063(8) Uiso 0.50 1 d PD B 2
H16C H 0.2858 -0.0187 0.2238 0.075 Uiso 0.50 1 calc PR B 2
H16D H 0.3841 -0.0371 0.3040 0.075 Uiso 0.50 1 calc PR B 2
C17X C 0.315(2) -0.0744(8) 0.188(2) 0.090(8) Uiso 0.50 1 d PD B 2
H17C H 0.2500 -0.0805 0.1678 0.108 Uiso 0.50 1 calc PR B 2
H17D H 0.3544 -0.0965 0.2345 0.108 Uiso 0.50 1 calc PR B 2
C18X C 0.328(2) -0.0734(10) 0.103(2) 0.097(10) Uiso 0.50 1 d PD B 2
H18C H 0.2679 -0.0697 0.0419 0.116 Uiso 0.50 1 calc PR B 2
H18D H 0.3570 -0.0996 0.0981 0.116 Uiso 0.50 1 calc PR B 2
C19 C 0.3895(9) -0.0364(3) 0.1206(9) 0.078(3) Uani 1 1 d . B .
H19A H 0.4435 -0.0554 0.1516 0.094 Uiso 1 1 calc R C 1
H19B H 0.3944 -0.0185 0.0728 0.094 Uiso 1 1 calc R C 1
C20 C 0.4323(18) 0.2863(7) 0.2019(18) 0.082(7) Uiso 0.50 1 d PD . .
H20A H 0.3660 0.2834 0.1804 0.098 Uiso 0.50 1 calc PR F .
H20B H 0.4406 0.2827 0.1454 0.098 Uiso 0.50 1 calc PR . .
C21 C 0.469(2) 0.3279(8) 0.2507(19) 0.125(12) Uiso 0.50 1 d PD F .
H21A H 0.5160 0.3382 0.2352 0.150 Uiso 0.50 1 calc PR . .
H21B H 0.4188 0.3487 0.2263 0.150 Uiso 0.50 1 calc PR . .
C22 C 0.512(2) 0.3233(9) 0.3580(18) 0.096(8) Uiso 0.50 1 d PD . .
H22A H 0.4665 0.3243 0.3791 0.116 Uiso 0.50 1 calc PR F .
H22B H 0.5618 0.3442 0.3943 0.116 Uiso 0.50 1 calc PR . .
C23 C 0.5510(16) 0.2786(7) 0.3641(17) 0.073(6) Uiso 0.50 1 d P F .
H23A H 0.6123 0.2802 0.3698 0.088 Uiso 0.50 1 calc PR . .
H23B H 0.5579 0.2639 0.4219 0.088 Uiso 0.50 1 calc PR . .
C24 C 0.1696(8) 0.1810(4) 0.1965(12) 0.096(4) Uani 1 1 d . . .
H24A H 0.1381 0.1664 0.1332 0.115 Uiso 1 1 calc R F .
H24B H 0.1834 0.2102 0.1866 0.115 Uiso 1 1 calc R . .
C25 C 0.1101(12) 0.1806(5) 0.2429(16) 0.129(7) Uani 1 1 d . E .
H25A H 0.0886 0.2093 0.2447 0.155 Uiso 1 1 calc R D 1
H25B H 0.0556 0.1623 0.2055 0.155 Uiso 1 1 calc R D 1
C26 C 0.165(3) 0.1650(14) 0.337(3) 0.121(11) Uiso 0.50 1 d P E 1
H26A H 0.1275 0.1486 0.3571 0.145 Uiso 0.50 1 calc PR E 1
H26B H 0.1955 0.1882 0.3838 0.145 Uiso 0.50 1 calc PR E 1
C26X C 0.1427(18) 0.1412(9) 0.3121(19) 0.080(7) Uiso 0.50 1 d P E 2
H26C H 0.1409 0.1468 0.3719 0.096 Uiso 0.50 1 calc PR E 2
H26D H 0.1049 0.1161 0.2793 0.096 Uiso 0.50 1 calc PR E 2
C27 C 0.2382(8) 0.1363(4) 0.3328(10) 0.083(3) Uani 1 1 d . . .
H27A H 0.2957 0.1343 0.3965 0.099 Uiso 1 1 calc R E 1
H27B H 0.2138 0.1078 0.3092 0.099 Uiso 1 1 calc R E 1
F13 F 0.2641(4) 0.20615(19) 0.0516(4) 0.0718(16) Uani 1 1 d . . .
F14 F 0.2271(4) 0.1563(3) -0.0537(5) 0.097(2) Uani 1 1 d . . .
F15 F 0.3211(5) 0.2050(2) -0.0425(5) 0.093(2) Uani 1 1 d . . .
F16 F 0.4050(4) 0.04596(16) 0.4020(4) 0.0607(13) Uani 1 1 d . . .
F17 F 0.4542(4) 0.09451(18) 0.5113(4) 0.0692(15) Uani 1 1 d . . .
F18 F 0.5469(4) 0.04487(17) 0.5200(4) 0.0701(16) Uani 1 1 d . . .
O3 O 0.3176(12) 0.2524(5) 0.3081(11) 0.081(4) Uiso 0.50 1 d PD F 1
C7 C 0.3240(19) 0.2677(8) 0.3816(12) 0.112(7) Uiso 0.50 1 d PD F 1
C6 C 0.2654(14) 0.3042(6) 0.3818(16) 0.112(7) Uiso 0.50 1 d PDU F 1
F7 F 0.1786(14) 0.3074(8) 0.3321(19) 0.181(7) Uiso 0.50 1 d PDU F 1
F8 F 0.236(2) 0.3225(9) 0.2987(16) 0.191(7) Uiso 0.50 1 d PDU F 1
F9 F 0.3058(14) 0.3385(6) 0.4188(13) 0.131(5) Uiso 0.50 1 d PDU F 1
C8 C 0.3718(13) 0.2543(6) 0.4742(12) 0.058(5) Uiso 0.50 1 d PD F 1
H8 H 0.3640 0.2684 0.5219 0.070 Uiso 0.50 1 calc PR F 1
C9 C 0.433(2) 0.2197(8) 0.5025(16) 0.100(16) Uiso 0.50 1 d PD F 1
C10 C 0.491(2) 0.2104(7) 0.6107(16) 0.084(7) Uiso 0.50 1 d PD F 1
F10 F 0.5744(13) 0.2134(6) 0.6464(13) 0.126(6) Uiso 0.50 1 d PD F 1
F11 F 0.4678(18) 0.1710(6) 0.6227(16) 0.136(5) Uiso 0.50 1 d PD F 1
F12 F 0.4728(17) 0.2365(7) 0.6620(16) 0.141(8) Uiso 0.50 1 d PD F 1
O3A O 0.3598(12) 0.2620(5) 0.2930(11) 0.080(4) Uiso 0.50 1 d PD F 2
C7A C 0.359(2) 0.2788(7) 0.3622(15) 0.105(6) Uiso 0.50 1 d PD F 2
C6A C 0.3106(17) 0.3226(6) 0.3445(16) 0.105(6) Uiso 0.50 1 d PDU F 2
F7A F 0.2596(17) 0.3335(9) 0.2593(17) 0.181(7) Uiso 0.50 1 d PDU F 2
F8A F 0.352(2) 0.3459(8) 0.3085(19) 0.191(7) Uiso 0.50 1 d PDU F 2
F9A F 0.3534(15) 0.3465(6) 0.4154(13) 0.131(5) Uiso 0.50 1 d PDU F 2
C8A C 0.3884(17) 0.2637(6) 0.4520(15) 0.079(7) Uiso 0.50 1 d PD F 2
H8A H 0.3883 0.2828 0.4975 0.095 Uiso 0.50 1 calc PR F 2
C9A C 0.4198(19) 0.2224(6) 0.4856(16) 0.056(8) Uiso 0.50 1 d PD F 2
C10A C 0.442(3) 0.2051(8) 0.5839(19) 0.111(11) Uiso 0.50 1 d PD F 2
F10A F 0.5181(18) 0.1858(8) 0.6314(18) 0.156(9) Uiso 0.50 1 d PD F 2
F11A F 0.3863(16) 0.1728(6) 0.5747(16) 0.136(5) Uiso 0.50 1 d PD F 2
F12A F 0.4250(17) 0.2312(6) 0.6365(16) 0.135(8) Uiso 0.50 1 d PD F 2
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'
F F 0.0171 0.0103 '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'
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
O5 Bi1 O7 85.5(2) . .
O5 Bi1 O2 84.7(2) . .
O7 Bi1 O2 80.8(2) . .
O5 Bi1 O8 70.8(2) . .
O7 Bi1 O8 103.2(2) . .
O2 Bi1 O8 154.7(2) . .
O5 Bi1 O9 160.2(2) . .
O7 Bi1 O9 82.6(2) . .
O2 Bi1 O9 77.8(2) . .
O8 Bi1 O9 127.4(2) . .
O5 Bi1 O7 106.0(2) . 2_655
O7 Bi1 O7 68.8(2) . 2_655
O2 Bi1 O7 146.4(2) . 2_655
O8 Bi1 O7 52.22(16) . 2_655
O9 Bi1 O7 84.4(2) . 2_655
O5 Bi1 O1 86.9(2) . .
O7 Bi1 O1 151.3(2) . .
O2 Bi1 O1 71.0(2) . .
O8 Bi1 O1 100.3(2) . .
O9 Bi1 O1 96.0(2) . .
O7 Bi1 O1 139.8(2) 2_655 .
O8 Bi2 O6 82.5(2) . 2_655
O8 Bi2 O4 80.7(2) . .
O6 Bi2 O4 83.4(3) 2_655 .
O8 Bi2 O6 102.6(2) . .
O6 Bi2 O6 72.4(3) 2_655 .
O4 Bi2 O6 154.8(2) . .
O8 Bi2 O11 73.6(2) . .
O6 Bi2 O11 153.4(2) 2_655 .
O4 Bi2 O11 81.5(3) . .
O6 Bi2 O11 123.6(2) . .
O8 Bi2 O5 69.1(2) . .
O6 Bi2 O5 105.7(2) 2_655 .
O4 Bi2 O5 146.6(2) . .
O6 Bi2 O5 51.60(19) . .
O11 Bi2 O5 76.7(2) . .
O8 Bi2 O3A 151.5(4) . .
O6 Bi2 O3A 107.3(4) 2_655 .
O4 Bi2 O3A 74.2(4) . .
O6 Bi2 O3A 105.9(4) . .
O11 Bi2 O3A 89.4(4) . .
O5 Bi2 O3A 129.8(4) . .
O8 Bi2 O10 146.1(3) . .
O6 Bi2 O10 63.5(3) 2_655 .
O4 Bi2 O10 94.6(3) . .
O6 Bi2 O10 68.6(3) . .
O11 Bi2 O10 139.3(3) . .
O5 Bi2 O10 118.4(3) . .
O3A Bi2 O10 51.1(5) . .
O8 Bi2 O3 134.2(4) . .
O6 Bi2 O3 121.3(4) 2_655 .
O4 Bi2 O3 65.9(4) . .
O6 Bi2 O3 121.1(4) . .
O11 Bi2 O3 71.3(4) . .
O5 Bi2 O3 127.7(3) . .
O10 Bi2 O3 70.2(5) . .
C2 O1 Bi1 131.4(7) . .
C4 O2 Bi1 137.2(6) . .
C9A O4 Bi2 133.8(11) . .
C9 O4 Bi2 144.9(10) . .
C12 O5 Bi1 129.0(5) . .
C12 O5 Bi2 98.2(5) . .
Bi1 O5 Bi2 109.2(2) . .
C12 O6 Bi2 131.1(5) . 2_655
C12 O6 Bi2 101.3(5) . .
Bi2 O6 Bi2 107.5(3) 2_655 .
C14 O7 Bi1 128.8(5) 2_655 .
C14 O7 Bi1 97.0(4) 2_655 2_655
Bi1 O7 Bi1 111.2(2) . 2_655
C14 O8 Bi2 131.1(4) . .
C14 O8 Bi1 100.1(4) . .
Bi2 O8 Bi1 110.9(2) . .
C16X O9 C19 109.8(11) . .
C19 O9 C16 109.9(10) . .
C16X O9 Bi1 116.0(11) . .
C19 O9 Bi1 126.5(6) . .
C16 O9 Bi1 107.9(10) . .
O10 O10 C23 111.5(18) 2_655 .
O10 O10 C20 71.3(15) 2_655 .
C23 O10 C20 108.9(16) . .
O10 O10 C20 63.4(13) 2_655 2_655
C23 O10 C20 49.4(13) . 2_655
C20 O10 C20 83.5(18) . 2_655
O10 O10 Bi2 114.4(6) 2_655 .
C23 O10 Bi2 122.1(12) . .
C20 O10 Bi2 117.8(12) . .
C20 O10 Bi2 157.6(12) 2_655 .
C24 O11 C27 110.0(8) . .
C24 O11 Bi2 118.8(7) . .
C27 O11 Bi2 127.3(7) . .
F2 C1 F1 107.6(19) . .
F2 C1 F3 112(2) . .
F1 C1 F3 108.9(15) . .
F2 C1 C2 113.0(14) . .
F1 C1 C2 106.7(15) . .
F3 C1 C2 108.6(16) . .
O1 C2 C3 126.4(10) . .
O1 C2 C1 113.9(11) . .
C3 C2 C1 119.7(10) . .
C4 C3 C2 124.5(10) . .
O2 C4 C3 129.1(9) . .
O2 C4 C5 111.0(8) . .
C3 C4 C5 119.8(8) . .
F6 C5 F4 103.2(14) . .
F6 C5 F5 115.0(13) . .
F4 C5 F5 102.7(13) . .
F6 C5 C4 113.9(11) . .
F4 C5 C4 113.3(12) . .
F5 C5 C4 108.3(12) . .
F15 C11 F13 107.9(9) . .
F15 C11 F14 107.5(9) . .
F13 C11 F14 105.1(8) . .
F15 C11 C12 114.3(9) . .
F13 C11 C12 110.8(8) . .
F14 C11 C12 110.8(8) . .
O6 C12 O5 106.7(7) . .
O6 C12 C13 115.4(7) . 2_655
O5 C12 C13 114.2(6) . 2_655
O6 C12 C11 105.2(7) . .
O5 C12 C11 105.4(7) . .
C13 C12 C11 109.1(7) 2_655 .
C12 C13 C14 115.0(6) 2_655 .
O7 C14 O8 107.2(6) 2_655 .
O7 C14 C13 114.1(7) 2_655 .
O8 C14 C13 114.6(6) . .
O7 C14 C15 105.1(6) 2_655 .
O8 C14 C15 105.6(7) . .
C13 C14 C15 109.4(7) . .
F17 C15 F18 108.6(7) . .
F17 C15 F16 107.2(8) . .
F18 C15 F16 107.0(7) . .
F17 C15 C14 111.6(7) . .
F18 C15 C14 111.3(8) . .
F16 C15 C14 110.9(7) . .
C17 C16 O9 104.4(17) . .
C16 C17 C18 111(2) . .
C17 C18 C19 105.9(17) . .
O9 C16X C17X 109.2(17) . .
C16X C17X C18X 107.0(19) . .
C17X C18X C19 104.4(19) . .
O9 C19 C18X 106.0(12) . .
O9 C19 C18 104.4(11) . .
O10 C20 C21 103(2) . .
C22 C21 C20 110(2) . .
C21 C22 C23 96(2) . .
O10 C23 C22 108.5(19) . .
O11 C24 C25 105.2(12) . .
C26 C25 C24 107(2) . .
C24 C25 C26X 105.7(13) . .
C25 C26 C27 105(2) . .
C27 C26X C25 101.1(17) . .
O11 C27 C26X 111.0(13) . .
O11 C27 C26 100.3(17) . .
C7 O3 Bi2 130.8(13) . .
O3 C7 C8 130.0(18) . .
O3 C7 C6 124.2(17) . .
C8 C7 C6 105.3(14) . .
F9 C6 F7 113.6(19) . .
F9 C6 F8 85.9(16) . .
F7 C6 F8 66.4(15) . .
F9 C6 C7 118(2) . .
F7 C6 C7 127(2) . .
F8 C6 C7 104(2) . .
C6 F7 F8 58.0(9) . .
C6 F8 F7 55.6(8) . .
C6 F8 F9 46.2(9) . .
F7 F8 F9 83.6(14) . .
C6 F9 F8 47.9(8) . .
C7 C8 C9 121.9(17) . .
O4 C9 C8 125.1(17) . .
O4 C9 C10 117.9(15) . .
C8 C9 C10 116.8(18) . .
F10 C10 F12 103(2) . .
F10 C10 F11 110(2) . .
F12 C10 F11 109(2) . .
F10 C10 C9 115(2) . .
F12 C10 C9 112.2(19) . .
F11 C10 C9 106(2) . .
C7A O3A Bi2 126.6(14) . .
O3A C7A C8A 129(2) . .
O3A C7A C6A 117.6(18) . .
C8A C7A C6A 112.9(17) . .
F7A C6A F9A 126(2) . .
F7A C6A F8A 65.6(16) . .
F9A C6A F8A 82.4(17) . .
F7A C6A C7A 117(2) . .
F9A C6A C7A 112(2) . .
F8A C6A C7A 104(2) . .
C6A F7A F8A 60.3(14) . .
C6A F8A F7A 54.1(11) . .
C6A F8A F9A 46.8(11) . .
F7A F8A F9A 91.2(16) . .
C6A F9A F8A 50.8(11) . .
C7A C8A C9A 127(2) . .
O4 C9A C8A 127.2(17) . .
O4 C9A C10A 107.5(16) . .
C8A C9A C10A 125.2(18) . .
F10A C10A F12A 114(3) . .
F10A C10A F11A 98(2) . .
F12A C10A F11A 101(2) . .
F10A C10A C9A 116(2) . .
F12A C10A C9A 114(2) . .
F11A C10A C9A 112(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 O5 2.158(6) .
Bi1 O7 2.158(6) .
Bi1 O2 2.352(6) .
Bi1 O8 2.535(6) .
Bi1 O9 2.584(7) .
Bi1 O7 2.606(6) 2_655
Bi1 O1 2.621(7) .
Bi2 O8 2.180(5) .
Bi2 O6 2.181(6) 2_655
Bi2 O4 2.341(7) .
Bi2 O6 2.548(7) .
Bi2 O11 2.569(7) .
Bi2 O5 2.604(6) .
Bi2 O3A 2.618(16) .
Bi2 O10 2.691(14) .
Bi2 O3 2.767(16) .
O1 C2 1.249(12) .
O2 C4 1.280(10) .
O4 C9A 1.27(2) .
O4 C9 1.29(2) .
O5 C12 1.407(10) .
O6 C12 1.390(9) .
O6 Bi2 2.181(6) 2_655
O7 C14 1.405(9) 2_655
O7 Bi1 2.606(6) 2_655
O8 C14 1.407(9) .
O9 C16X 1.40(3) .
O9 C19 1.443(12) .
O9 C16 1.50(3) .
O10 O10 1.16(3) 2_655
O10 C23 1.43(3) .
O10 C20 1.46(3) .
O10 C20 1.55(3) 2_655
O11 C24 1.431(14) .
O11 C27 1.447(14) .
C1 F2 1.313(19) .
C1 F1 1.344(17) .
C1 F3 1.391(17) .
C1 C2 1.574(18) .
C2 C3 1.407(17) .
C3 C4 1.366(14) .
C4 C5 1.527(15) .
C5 F6 1.330(14) .
C5 F4 1.368(17) .
C5 F5 1.375(16) .
C11 F15 1.307(12) .
C11 F13 1.363(13) .
C11 F14 1.365(13) .
C11 C12 1.534(11) .
C12 C13 1.508(12) 2_655
C13 C12 1.508(12) 2_655
C13 C14 1.525(10) .
C14 O7 1.405(9) 2_655
C14 C15 1.544(12) .
C15 F17 1.335(10) .
C15 F18 1.343(10) .
C15 F16 1.351(10) .
C16 C17 1.42(2) .
C17 C18 1.48(3) .
C18 C19 1.51(3) .
C16X C17X 1.43(2) .
C17X C18X 1.49(3) .
C18X C19 1.50(3) .
C20 C21 1.503(10) .
C21 C22 1.496(10) .
C22 C23 1.55(3) .
C24 C25 1.519(19) .
C25 C26 1.40(4) .
C25 C26X 1.58(3) .
C26 C27 1.56(4) .
C26X C27 1.48(3) .
O3 C7 1.226(9) .
C7 C8 1.349(10) .
C7 C6 1.525(10) .
C6 F9 1.263(10) .
C6 F7 1.264(10) .
C6 F8 1.299(10) .
F7 F8 1.40(3) .
F8 F9 1.75(2) .
C8 C9 1.419(9) .
C9 C10 1.525(10) .
C10 F10 1.23(3) .
C10 F12 1.31(2) .
C10 F11 1.35(3) .
O3A C7A 1.240(18) .
C7A C8A 1.348(18) .
C7A C6A 1.565(18) .
C6A F7A 1.237(19) .
C6A F9A 1.246(18) .
C6A F8A 1.33(2) .
F7A F8A 1.39(3) .
F8A F9A 1.70(2) .
C8A C9A 1.418(18) .
C9A C10A 1.526(18) .
C10A F10A 1.27(3) .
C10A F12A 1.31(2) .
C10A F11A 1.35(3) .
