#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:09:45 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178887 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/16/4111661.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_4111661
loop_
_publ_author_name
'Evgeny V. Dikarev'
'Haitao Zhang'
'Bo Li'
_publ_section_title
;
 Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6156
_journal_page_last               6157
_journal_paper_doi               10.1021/ja051265m
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'Bi2 Co (C F3 C O C H C O C F3)8'
_chemical_formula_sum            'C40 H8 Bi2 Co F48 O16'
_chemical_formula_weight         2133.35
_chemical_name_systematic
; 
 di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro-
 acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-
 cobalt(ii) 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.6880(10)
_cell_angle_beta                 93.6700(10)
_cell_angle_gamma                111.0240(10)
_cell_formula_units_Z            1
_cell_length_a                   8.7556(6)
_cell_length_b                   11.7149(7)
_cell_length_c                   16.9468(11)
_cell_measurement_reflns_used    5505
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.53
_cell_volume                     1516.29(17)
_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 0.904
_diffrn_measured_fraction_theta_max 0.904
_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  0.0138
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            13292
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.95
_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    6.270
_exptl_absorpt_correction_T_max  0.7876
_exptl_absorpt_correction_T_min  0.3527
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            pale-rose
_exptl_crystal_density_diffrn    2.336
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             1001
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.910
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       na
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         6814
_refine_ls_number_restraints     122
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0589P)²+2.2610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                6345
_reflns_number_total             6814
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja051265msi20050226_020629.cif
_cod_data_source_block           Bi2Co(hfac)8_(3)
_cod_database_code               4111661
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 -0.060056(18) 0.627419(15) 0.707096(9) 0.03353(7) Uani 1 1 d . A .
Co1 Co 0.0000 0.5000 0.5000 0.02932(16) Uani 1 2 d S . .
O1 O 0.0750(4) 0.3533(3) 0.4592(2) 0.0345(6) Uani 1 1 d . . .
O2 O 0.1842(4) 0.6077(3) 0.4550(2) 0.0339(6) Uani 1 1 d . . .
O3 O -0.0391(4) 0.4278(3) 0.7212(2) 0.0416(7) Uani 1 1 d . A .
O4 O 0.1471(4) 0.5735(3) 0.63039(19) 0.0349(6) Uani 1 1 d . A .
O5 O 0.1418(4) 0.8206(3) 0.7030(2) 0.0439(7) Uani 1 1 d . . .
O6 O -0.1217(5) 0.7985(3) 0.7871(2) 0.0464(8) Uani 1 1 d . . .
O7 O -0.2212(4) 0.5565(4) 0.8018(2) 0.0451(8) Uani 1 1 d . . .
O8 O 0.1320(4) 0.6952(4) 0.8165(2) 0.0480(8) Uani 1 1 d . . .
C1 C 0.1094(8) 0.1593(6) 0.4456(4) 0.0519(13) Uani 1 1 d . . .
F1 F 0.2150(7) 0.1762(6) 0.5093(3) 0.1118(19) Uani 1 1 d . . .
F2 F 0.0112(7) 0.0333(4) 0.4187(3) 0.0911(15) Uani 1 1 d . . .
F3 F 0.1845(6) 0.1787(4) 0.3837(3) 0.0785(13) Uani 1 1 d . . .
C2 C 0.0150(6) 0.2476(4) 0.4735(3) 0.0354(9) Uani 1 1 d . . .
C3 C 0.2085(5) 0.7201(4) 0.4569(3) 0.0350(9) Uani 1 1 d . . .
C4 C 0.1195(6) 0.7951(5) 0.4880(3) 0.0396(10) Uani 1 1 d . . .
H4 H 0.1516 0.8788 0.4830 0.047 Uiso 1 1 calc R . .
C5 C 0.3614(6) 0.7843(5) 0.4212(4) 0.0475(12) Uani 1 1 d . . .
F4 F 0.4903(4) 0.8616(4) 0.4841(3) 0.0708(10) Uani 1 1 d . . .
F5 F 0.3346(5) 0.8572(4) 0.3799(3) 0.0692(10) Uani 1 1 d . . .
F6 F 0.4037(5) 0.6953(3) 0.3692(3) 0.0659(10) Uani 1 1 d . . .
C6 C 0.0686(9) 0.3015(6) 0.7715(4) 0.0622(15) Uani 1 1 d D A 1
F7 F -0.0272(16) 0.3114(13) 0.8327(8) 0.069(3) Uiso 0.40 1 d PD A 1
F8 F 0.2157(10) 0.3124(11) 0.8100(8) 0.056(2) Uiso 0.40 1 d PD A 1
F9 F -0.0020(18) 0.1853(9) 0.7150(6) 0.064(2) Uiso 0.40 1 d PD A 1
F7X F -0.0822(17) 0.2533(18) 0.7931(13) 0.085(4) Uiso 0.30 1 d PD A 2
F8X F 0.1815(19) 0.3393(15) 0.8368(9) 0.071(4) Uiso 0.30 1 d PD A 2
F9X F 0.080(3) 0.2048(17) 0.7110(10) 0.100(6) Uiso 0.30 1 d PD A 2
F7Y F 0.071(3) 0.3555(17) 0.8532(9) 0.091(5) Uiso 0.30 1 d PD A 3
F8Y F 0.198(2) 0.264(2) 0.7659(15) 0.101(5) Uiso 0.30 1 d PD A 3
F9Y F -0.0615(17) 0.1936(12) 0.7368(10) 0.070(4) Uiso 0.30 1 d PD A 3
C7 C 0.0853(8) 0.4059(5) 0.7311(4) 0.0515(12) Uani 1 1 d . . .
C8 C 0.2388(8) 0.4621(6) 0.7068(4) 0.0532(13) Uani 1 1 d . A .
H8 H 0.3313 0.4449 0.7239 0.064 Uiso 1 1 calc R . .
C9 C 0.2572(6) 0.5401(5) 0.6597(3) 0.0460(11) Uani 1 1 d . . .
C10 C 0.4259(7) 0.5951(6) 0.6376(4) 0.0542(13) Uani 1 1 d D A 1
F10 F 0.4858(13) 0.7314(8) 0.6700(9) 0.061(2) Uiso 0.40 1 d PD A 1
F11 F 0.5391(12) 0.5646(12) 0.6721(8) 0.049(2) Uiso 0.40 1 d PD A 1
F12 F 0.4192(10) 0.5620(12) 0.5528(4) 0.0451(18) Uiso 0.40 1 d PD A 1
F10X F 0.5106(18) 0.7227(11) 0.7006(9) 0.068(4) Uiso 0.30 1 d PD A 2
F11X F 0.5335(16) 0.5417(13) 0.6453(10) 0.056(4) Uiso 0.30 1 d PD A 2
F12X F 0.4327(14) 0.6195(14) 0.5651(7) 0.053(3) Uiso 0.30 1 d PD A 2
F10Y F 0.455(2) 0.7122(14) 0.6253(13) 0.087(5) Uiso 0.30 1 d PD A 3
F11Y F 0.5663(15) 0.6167(15) 0.6790(9) 0.066(4) Uiso 0.30 1 d PD A 3
F12Y F 0.4044(18) 0.5080(15) 0.5557(8) 0.069(4) Uiso 0.30 1 d PD A 3
C11 C 0.3657(8) 1.0242(6) 0.7433(5) 0.0715(19) Uani 1 1 d D B 1
F13 F 0.473(2) 0.9712(17) 0.7339(12) 0.092(4) Uiso 0.34 1 d PD B 1
F14 F 0.432(2) 1.1342(12) 0.8091(8) 0.072(3) Uiso 0.34 1 d PD B 1
F15 F 0.3266(17) 1.0587(18) 0.6799(10) 0.057(3) Uiso 0.34 1 d PD B 1
F13X F 0.5295(19) 1.050(3) 0.7591(15) 0.135(7) Uiso 0.33 1 d PD B 2
F14X F 0.370(4) 1.135(2) 0.7968(15) 0.157(13) Uiso 0.33 1 d PD B 2
F15X F 0.342(2) 1.025(2) 0.6644(9) 0.092(7) Uiso 0.33 1 d PD B 2
F13Y F 0.4514(18) 0.9656(13) 0.6930(10) 0.081(4) Uiso 0.33 1 d PD C 3
F14Y F 0.480(2) 1.0965(18) 0.8109(9) 0.098(5) Uiso 0.33 1 d PD C 3
F15Y F 0.323(3) 1.095(2) 0.7096(16) 0.124(9) Uiso 0.33 1 d PD C 3
C15 C -0.1374(10) 0.9805(7) 0.8863(5) 0.077(2) Uani 1 1 d D B 1
F16 F 0.0147(14) 1.0542(13) 0.8902(9) 0.095(4) Uiso 0.40 1 d PD B 1
F17 F -0.1648(17) 1.0003(14) 0.9651(7) 0.089(3) Uiso 0.40 1 d PD B 1
F18 F -0.253(2) 0.9902(17) 0.8389(9) 0.058(3) Uiso 0.40 1 d PD B 1
F16X F -0.0429(16) 1.1136(10) 0.9161(9) 0.061(3) Uiso 0.30 1 d PD B 2
F17X F -0.152(2) 0.9387(19) 0.9487(11) 0.086(5) Uiso 0.30 1 d PD B 2
F18X F -0.2919(15) 0.9582(15) 0.8496(9) 0.061(4) Uiso 0.30 1 d PD B 2
F16Y F -0.031(2) 1.0985(14) 0.9422(12) 0.096(6) Uiso 0.30 1 d PD D 3
F17Y F -0.222(2) 0.9131(17) 0.9278(12) 0.091(5) Uiso 0.30 1 d PD D 3
F18Y F -0.223(3) 1.007(3) 0.8308(15) 0.110(12) Uiso 0.30 1 d PD D 3
C16 C -0.3079(10) 0.5278(8) 0.9242(4) 0.074(2) Uani 1 1 d D B 1
F19 F -0.4577(11) 0.4499(12) 0.8805(6) 0.059(2) Uiso 0.40 1 d PD B 1
F20 F -0.3140(18) 0.6375(12) 0.9871(8) 0.083(4) Uiso 0.40 1 d PD B 1
F21 F -0.255(2) 0.4818(15) 0.9790(9) 0.103(4) Uiso 0.40 1 d PD B 1
F19X F -0.4595(16) 0.5036(19) 0.8903(10) 0.080(5) Uiso 0.30 1 d PD B 2
F20X F -0.281(3) 0.584(2) 1.0064(9) 0.105(6) Uiso 0.30 1 d PD B 2
F21X F -0.301(3) 0.4107(17) 0.9192(15) 0.122(7) Uiso 0.30 1 d PD B 2
F19Y F -0.4164(18) 0.4093(12) 0.8811(8) 0.071(4) Uiso 0.30 1 d PD E 3
F20Y F -0.352(2) 0.5908(16) 0.9899(8) 0.068(4) Uiso 0.30 1 d PD E 3
F21Y F -0.179(2) 0.5019(19) 0.9534(13) 0.104(6) Uiso 0.30 1 d PD E 3
C20 C 0.3147(8) 0.7623(6) 0.9408(4) 0.0634(16) Uani 1 1 d D B 1
F22 F 0.3712(16) 0.8860(10) 0.9464(8) 0.079(3) Uiso 0.40 1 d PD B 1
F23 F 0.3069(17) 0.7651(13) 1.0214(6) 0.075(3) Uiso 0.40 1 d PD B 1
F24 F 0.4146(16) 0.7112(15) 0.9103(8) 0.080(4) Uiso 0.40 1 d PD B 1
F22X F 0.420(2) 0.8636(15) 0.9212(12) 0.090(5) Uiso 0.30 1 d PD B 2
F23X F 0.313(3) 0.810(2) 1.0195(9) 0.093(6) Uiso 0.30 1 d PD B 2
F24X F 0.3738(16) 0.6701(11) 0.9207(8) 0.036(2) Uiso 0.30 1 d PD B 2
F22Y F 0.4474(18) 0.8705(14) 0.9859(11) 0.095(5) Uiso 0.30 1 d PD F 3
F23Y F 0.2016(18) 0.7410(15) 0.9877(10) 0.081(4) Uiso 0.30 1 d PD F 3
F24Y F 0.356(4) 0.661(2) 0.929(2) 0.161(18) Uiso 0.30 1 d PD F 3
C12 C 0.1922(10) 0.9373(8) 0.7528(5) 0.0444(18) Uiso 0.60 1 d PD B 1
C13 C 0.1187(11) 0.9903(9) 0.8157(6) 0.0485(19) Uiso 0.60 1 d PD B 1
H13 H 0.1772 1.0773 0.8541 0.058 Uiso 0.60 1 calc PR B 1
C14 C -0.0416(10) 0.9162(8) 0.8230(5) 0.0445(17) Uiso 0.60 1 d PD B 1
C17V C -0.2425(16) 0.6137(11) 0.8701(8) 0.044(3) Uiso 0.40 1 d PD B 2
C18V C -0.2139(17) 0.7459(11) 0.9013(9) 0.049(3) Uiso 0.40 1 d PD B 2
H18V H -0.2350 0.7817 0.9557 0.059 Uiso 0.40 1 calc PR B 2
C14V C -0.1554(16) 0.8265(11) 0.8550(8) 0.044(3) Uiso 0.40 1 d PD B 2
C17 C -0.1685(11) 0.5801(8) 0.8776(6) 0.0458(18) Uiso 0.60 1 d PD B 1
C18 C 0.0024(11) 0.6442(9) 0.9233(6) 0.053(2) Uiso 0.60 1 d PD B 1
H18 H 0.0234 0.6502 0.9804 0.064 Uiso 0.60 1 calc PR B 1
C19 C 0.1327(10) 0.6958(8) 0.8892(5) 0.0436(17) Uiso 0.60 1 d PD B 1
C12V C 0.273(2) 0.8996(17) 0.7620(12) 0.077(5) Uiso 0.40 1 d PD B 2
C13V C 0.324(2) 0.8866(16) 0.8404(10) 0.069(4) Uiso 0.40 1 d PD B 2
H13V H 0.4159 0.9573 0.8805 0.082 Uiso 0.40 1 calc PR B 2
C19V C 0.248(2) 0.7776(16) 0.8590(10) 0.065(4) Uiso 0.40 1 d PD B 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'
Co Co 0.3494 0.9721 '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
_geom_angle_publ_flag
O8 Bi1 O6 83.04(14) . . y
O8 Bi1 O5 74.95(14) . . y
O6 Bi1 O5 72.74(13) . . y
O8 Bi1 O7 79.51(14) . . y
O6 Bi1 O7 72.15(13) . . y
O5 Bi1 O7 138.50(13) . . y
O8 Bi1 O4 83.51(12) . . y
O6 Bi1 O4 143.87(12) . . y
O5 Bi1 O4 71.42(11) . . y
O7 Bi1 O4 137.22(12) . . y
O8 Bi1 O3 74.17(13) . . y
O6 Bi1 O3 137.28(12) . . y
O5 Bi1 O3 131.82(12) . . y
O7 Bi1 O3 68.52(12) . . y
O4 Bi1 O3 69.14(11) . . y
O1 Co1 O1 180.000(2) . 2_566 y
O1 Co1 O2 88.82(12) . . y
O1 Co1 O2 91.18(12) 2_566 . y
O1 Co1 O2 91.18(12) . 2_566 y
O1 Co1 O2 88.82(12) 2_566 2_566 y
O2 Co1 O2 180.0 . 2_566 y
O1 Co1 O4 86.52(12) . 2_566 y
O1 Co1 O4 93.48(12) 2_566 2_566 y
O2 Co1 O4 84.70(12) . 2_566 y
O2 Co1 O4 95.30(12) 2_566 2_566 y
O1 Co1 O4 93.48(12) . . y
O1 Co1 O4 86.52(12) 2_566 . y
O2 Co1 O4 95.30(12) . . y
O2 Co1 O4 84.70(12) 2_566 . y
O4 Co1 O4 180.000(1) 2_566 . y
C2 O1 Co1 124.0(3) . . n
C3 O2 Co1 124.5(3) . . n
C7 O3 Bi1 128.6(4) . . n
C9 O4 Co1 129.9(3) . . n
C9 O4 Bi1 124.5(3) . . n
Co1 O4 Bi1 97.73(11) . . n
C12 O5 C12V 45.0(9) . . n
C12 O5 Bi1 131.1(4) . . n
C12V O5 Bi1 125.1(7) . . n
C14V O6 C14 73.0(8) . . n
C14V O6 Bi1 133.3(6) . . n
C14 O6 Bi1 134.5(5) . . n
C17V O7 C17 42.4(7) . . n
C17V O7 Bi1 132.9(6) . . n
C17 O7 Bi1 125.9(5) . . n
C19V O8 C19 70.8(9) . . n
C19V O8 Bi1 146.6(8) . . n
C19 O8 Bi1 134.6(5) . . n
F1 C1 F3 110.7(6) . . n
F1 C1 F2 104.6(5) . . n
F3 C1 F2 106.1(5) . . n
F1 C1 C2 109.9(5) . . n
F3 C1 C2 112.2(4) . . n
F2 C1 C2 113.0(5) . . n
O1 C2 C4 128.8(4) . 2_566 n
O1 C2 C1 113.6(4) . . n
C4 C2 C1 117.7(4) 2_566 . n
O2 C3 C4 128.9(4) . . n
O2 C3 C5 114.8(4) . . n
C4 C3 C5 116.3(4) . . n
C3 C4 C2 122.3(4) . 2_566 n
C3 C4 H4 118.8 . . n
C2 C4 H4 118.8 2_566 . n
F4 C5 F5 107.4(4) . . n
F4 C5 F6 108.1(4) . . n
F5 C5 F6 108.3(5) . . n
F4 C5 C3 109.5(5) . . n
F5 C5 C3 112.1(4) . . n
F6 C5 C3 111.4(4) . . n
F9 C6 F8 107.5(9) . . n
F9 C6 F7 108.4(10) . . n
F8 C6 F7 106.1(9) . . n
F9 C6 C7 110.6(7) . . n
F8 C6 C7 113.8(6) . . n
F7 C6 C7 110.2(7) . . n
O3 C7 C8 127.0(5) . . n
O3 C7 C6 115.4(5) . . n
C8 C7 C6 117.6(5) . . n
C9 C8 C7 121.7(5) . . n
C9 C8 H8 119.1 . . n
C7 C8 H8 119.1 . . n
O4 C9 C8 128.2(5) . . n
O4 C9 C10 114.4(5) . . n
C8 C9 C10 117.4(5) . . n
F11 C10 F12 110.2(8) . . n
F11 C10 F10 105.9(9) . . n
F12 C10 F10 105.9(9) . . n
F11 C10 C9 113.2(7) . . n
F12 C10 C9 112.7(6) . . n
F10 C10 C9 108.4(6) . . n
F13 C11 F15 115.5(14) . . n
F13 C11 F14 107.8(14) . . n
F15 C11 F14 105.1(13) . . n
F13 C11 C12 115.5(10) . . n
F15 C11 C12 101.9(8) . . n
F14 C11 C12 110.5(10) . . n
F16 C15 F18 116.8(13) . . n
F16 C15 F17 108.2(10) . . n
F18 C15 F17 110.9(11) . . n
F16 C15 C14 64.3(8) . . n
F18 C15 C14 105.4(9) . . n
F17 C15 C14 141.4(9) . . n
C15 F16 C14 67.2(7) . . n
C15 F16 C13 116.8(10) . . n
C14 F16 C13 49.8(6) . . n
F19 C16 F21 112.4(10) . . n
F19 C16 F20 110.0(10) . . n
F21 C16 F20 95.0(9) . . n
F19 C16 C17 119.1(7) . . n
F21 C16 C17 110.3(10) . . n
F20 C16 C17 107.3(9) . . n
F24 C20 F22 109.9(11) . . n
F24 C20 F23 111.3(9) . . n
F22 C20 F23 105.2(9) . . n
F24 C20 C19 115.5(8) . . n
F22 C20 C19 106.6(8) . . n
F23 C20 C19 107.7(8) . . n
O5 C12 C13 128.5(8) . . n
O5 C12 C11 112.5(7) . . n
C13 C12 C11 118.8(8) . . n
C12 C13 C14 120.0(8) . . n
C12 C13 F16 176.3(9) . . n
C14 C13 F16 57.7(6) . . n
C12 C13 H13 120.0 . . n
C14 C13 H13 120.0 . . n
F16 C13 H13 62.4 . . n
O6 C14 C13 127.2(8) . . n
O6 C14 F16 158.9(8) . . n
C13 C14 F16 72.5(7) . . n
O6 C14 C15 111.9(6) . . n
C13 C14 C15 120.8(7) . . n
F16 C14 C15 48.5(6) . . n
O7 C17V C18V 125.5(11) . . n
C14V C18V C17V 121.8(12) . . n
C14V C18V H18V 119.1 . . n
C17V C18V H18V 119.1 . . n
O6 C14V C18V 127.9(11) . . n
O6 C14V F17X 152.0(10) . . n
C18V C14V F17X 79.5(9) . . n
O7 C17 C18 128.1(8) . . n
O7 C17 C16 113.1(7) . . n
C18 C17 C16 118.7(8) . . n
C19 C18 C17 123.5(9) . . n
C19 C18 H18 118.3 . . n
C17 C18 H18 118.3 . . n
O8 C19 C18 128.1(8) . . n
O8 C19 C20 110.4(6) . . n
C18 C19 C20 121.5(8) . . n
O5 C12V C13V 128.2(14) . . n
C19V C13V C12V 122.7(15) . . n
C19V C13V H13V 118.7 . . n
C12V C13V H13V 118.7 . . n
O8 C19V C13V 121.4(13) . . n
O8 C19V F22X 165.3(15) . . n
C13V C19V F22X 70.6(11) . . n
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
Bi1 O8 2.154(3) . y
Bi1 O6 2.317(3) . y
Bi1 O5 2.343(3) . y
Bi1 O7 2.348(3) . y
Bi1 O4 2.450(3) . y
Bi1 O3 2.491(3) . y
Co1 O1 2.003(3) . y
Co1 O1 2.003(3) 2_566 y
Co1 O2 2.014(3) . y
Co1 O2 2.014(3) 2_566 y
Co1 O4 2.229(3) 2_566 y
Co1 O4 2.229(3) . y
O1 C2 1.264(5) . n
O2 C3 1.246(5) . n
O3 C7 1.218(7) . n
O4 C9 1.288(6) . n
O5 C12 1.263(9) . n
O5 C12V 1.303(19) . n
O6 C14V 1.184(13) . n
O6 C14 1.227(9) . n
O7 C17V 1.212(13) . n
O7 C17 1.248(9) . n
O8 C19V 1.122(17) . n
O8 C19 1.230(9) . n
C1 F1 1.292(8) . n
C1 F3 1.309(6) . n
C1 F2 1.325(7) . n
C1 C2 1.531(6) . n
C2 C4 1.391(7) 2_566 n
C3 C4 1.385(7) . n
C3 C5 1.543(6) . n
C4 C2 1.391(7) 2_566 n
C4 H4 0.9500 . n
C5 F4 1.325(7) . n
C5 F5 1.326(6) . n
C5 F6 1.326(6) . n
C6 F9 1.296(10) . n
C6 F8 1.351(10) . n
C6 F7 1.379(11) . n
C6 C7 1.542(8) . n
C7 C8 1.418(9) . n
C8 C9 1.360(8) . n
C8 H8 0.9500 . n
C9 C10 1.508(8) . n
C10 F11 1.326(9) . n
C10 F12 1.361(9) . n
C10 F10 1.399(10) . n
C11 F13 1.294(13) . n
C11 F15 1.322(12) . n
C11 F14 1.322(12) . n
C11 C12 1.547(10) . n
C15 F16 1.286(13) . n
C15 F18 1.309(11) . n
C15 F17 1.336(12) . n
C15 C14 1.582(10) . n
F16 C14 1.546(16) . n
F16 C13 1.744(16) . n
F17X C14V 1.72(2) . n
C16 F19 1.307(11) . n
C16 F21 1.340(13) . n
C16 F20 1.419(12) . n
C16 C17 1.539(10) . n
C20 F24 1.279(11) . n
C20 F22 1.323(11) . n
C20 F23 1.363(11) . n
C20 C19 1.557(10) . n
F22X C19V 1.57(2) . n
C12 C13 1.381(11) . n
C13 C14 1.397(11) . n
C13 H13 0.9500 . n
C17V C18V 1.396(15) . n
C18V C14V 1.387(14) . n
C18V H18V 0.9500 . n
C17 C18 1.447(12) . n
C18 C19 1.342(12) . n
C18 H18 0.9500 . n
C12V C13V 1.445(18) . n
C13V C19V 1.356(17) . n
C13V H13V 0.9500 . n
