#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:09:45 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178887 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/16/4111662.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_4111662
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 Ni (C F3 C O C H C O C F3)8'
_chemical_formula_sum            'C40 H8 Bi2 F48 Ni O16'
_chemical_formula_weight         2133.13
_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)-
 nickel(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                107.4030(10)
_cell_angle_beta                 94.1150(10)
_cell_angle_gamma                111.0580(10)
_cell_formula_units_Z            1
_cell_length_a                   8.7960(5)
_cell_length_b                   11.6950(7)
_cell_length_c                   16.8434(10)
_cell_measurement_reflns_used    6399
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.69
_cell_measurement_theta_min      2.52
_cell_volume                     1511.37(15)
_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 0.908
_diffrn_measured_fraction_theta_max 0.908
_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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0611
_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       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13359
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.96
_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    6.327
_exptl_absorpt_correction_T_max  0.6315
_exptl_absorpt_correction_T_min  0.3643
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            yellow-green
_exptl_crystal_density_diffrn    2.344
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.182
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       na
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         6829
_refine_ls_number_restraints     122
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0441
_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)+(0.0609P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1074
_reflns_number_gt                5533
_reflns_number_total             6829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja051265msi20050226_020640.cif
_cod_data_source_block           Bi2Ni(hfac)8_(4)
_cod_original_cell_volume        1511.36(15)
_cod_database_code               4111662
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 -0.06277(3) 0.62746(2) 0.705251(15) 0.03284(9) Uani 1 1 d . A .
Ni1 Ni 0.0000 0.5000 0.5000 0.0274(2) Uani 1 2 d S . .
O1 O 0.0766(5) 0.3568(4) 0.4610(3) 0.0311(9) Uani 1 1 d . . .
O2 O 0.1835(5) 0.6050(4) 0.4557(3) 0.0310(9) Uani 1 1 d . . .
O3 O -0.0418(6) 0.4275(4) 0.7199(3) 0.0415(11) Uani 1 1 d . A .
O4 O 0.1432(5) 0.5738(4) 0.6278(3) 0.0337(9) Uani 1 1 d . A .
O5 O 0.1384(6) 0.8219(4) 0.7018(3) 0.0400(10) Uani 1 1 d . . .
O6 O -0.1239(6) 0.7988(4) 0.7856(3) 0.0456(12) Uani 1 1 d . . .
O7 O -0.2220(6) 0.5560(5) 0.8004(3) 0.0437(11) Uani 1 1 d . . .
O8 O 0.1282(6) 0.6938(5) 0.8157(3) 0.0469(12) Uani 1 1 d . . .
C1 C 0.1100(10) 0.1618(7) 0.4488(5) 0.0473(18) Uani 1 1 d . . .
F1 F 0.2146(7) 0.1799(6) 0.5152(4) 0.0909(19) Uani 1 1 d . . .
F2 F 0.0117(7) 0.0357(4) 0.4196(4) 0.0745(15) Uani 1 1 d . . .
F3 F 0.1902(6) 0.1839(5) 0.3879(3) 0.0700(15) Uani 1 1 d . . .
C2 C 0.0156(8) 0.2502(6) 0.4749(4) 0.0334(13) Uani 1 1 d . . .
C3 C 0.2092(8) 0.7189(6) 0.4582(4) 0.0327(13) Uani 1 1 d . . .
C4 C 0.1207(8) 0.7937(6) 0.4885(4) 0.0377(15) Uani 1 1 d . . .
H4 H 0.1541 0.8781 0.4842 0.045 Uiso 1 1 calc R . .
C5 C 0.3621(9) 0.7823(7) 0.4245(5) 0.0453(17) Uani 1 1 d . . .
F4 F 0.4906(5) 0.8602(4) 0.4883(3) 0.0677(14) Uani 1 1 d . . .
F5 F 0.3389(6) 0.8557(5) 0.3817(4) 0.0686(14) Uani 1 1 d . . .
F6 F 0.4068(6) 0.6936(4) 0.3724(3) 0.0616(13) Uani 1 1 d . . .
C6 C 0.0655(12) 0.3000(9) 0.7706(6) 0.062(2) Uani 1 1 d D A 1
F7 F -0.024(2) 0.3118(16) 0.8335(10) 0.065(3) Uiso 0.40 1 d PD A 1
F8 F 0.2153(12) 0.3139(14) 0.8092(11) 0.052(3) Uiso 0.40 1 d PD A 1
F9 F -0.004(2) 0.1849(10) 0.7137(8) 0.057(3) Uiso 0.40 1 d PD A 1
F7X F -0.082(2) 0.258(2) 0.7948(16) 0.076(5) Uiso 0.30 1 d PD A 2
F8X F 0.183(2) 0.3364(18) 0.8357(11) 0.062(5) Uiso 0.30 1 d PD A 2
F9X F 0.074(4) 0.2034(19) 0.7098(11) 0.085(7) Uiso 0.30 1 d PD A 2
F7Y F 0.084(4) 0.356(2) 0.8529(10) 0.097(7) Uiso 0.30 1 d PD A 3
F8Y F 0.192(3) 0.260(3) 0.759(2) 0.104(7) Uiso 0.30 1 d PD A 3
F9Y F -0.068(2) 0.1960(16) 0.7365(13) 0.070(5) Uiso 0.30 1 d PD A 3
C7 C 0.0830(11) 0.4067(7) 0.7297(5) 0.0517(19) Uani 1 1 d . . .
C8 C 0.2379(10) 0.4646(7) 0.7073(5) 0.0509(18) Uani 1 1 d . A .
H8 H 0.3310 0.4498 0.7265 0.061 Uiso 1 1 calc R . .
C9 C 0.2544(9) 0.5412(7) 0.6584(5) 0.0458(17) Uani 1 1 d . . .
C10 C 0.4225(9) 0.5978(8) 0.6368(5) 0.0519(19) Uani 1 1 d D A 1
F10 F 0.4802(18) 0.7324(9) 0.6679(12) 0.058(3) Uiso 0.40 1 d PD A 1
F11 F 0.5356(17) 0.5721(18) 0.6759(10) 0.052(4) Uiso 0.40 1 d PD A 1
F12 F 0.4202(14) 0.5584(16) 0.5511(5) 0.041(3) Uiso 0.40 1 d PD A 1
F10X F 0.506(3) 0.7218(15) 0.7003(12) 0.082(7) Uiso 0.30 1 d PD A 2
F11X F 0.529(2) 0.5449(16) 0.6494(12) 0.050(5) Uiso 0.30 1 d PD A 2
F12X F 0.4297(19) 0.6180(18) 0.5628(9) 0.053(4) Uiso 0.30 1 d PD A 2
F10Y F 0.450(2) 0.7138(15) 0.6255(15) 0.074(6) Uiso 0.30 1 d PD A 3
F11Y F 0.5616(19) 0.6229(19) 0.6837(11) 0.064(6) Uiso 0.30 1 d PD A 3
F12Y F 0.407(2) 0.5103(19) 0.5567(10) 0.074(7) Uiso 0.30 1 d PD A 3
C11 C 0.3635(11) 1.0268(8) 0.7439(6) 0.065(2) Uani 1 1 d D B 1
F13 F 0.472(2) 0.9742(19) 0.7335(13) 0.098(5) Uiso 0.40 1 d PD B 1
F14 F 0.427(3) 1.1350(14) 0.8085(9) 0.080(5) Uiso 0.40 1 d PD B 1
F15 F 0.323(2) 1.059(2) 0.6797(12) 0.063(4) Uiso 0.40 1 d PD B 1
F13X F 0.529(2) 1.057(3) 0.7618(17) 0.113(8) Uiso 0.30 1 d PD B 2
F14X F 0.356(5) 1.130(3) 0.7977(18) 0.153(17) Uiso 0.30 1 d PD B 2
F15X F 0.342(3) 1.026(2) 0.6654(10) 0.083(9) Uiso 0.30 1 d PD B 2
F13Y F 0.446(2) 0.9700(17) 0.6906(12) 0.072(5) Uiso 0.30 1 d PD C 3
F14Y F 0.478(3) 1.099(2) 0.8109(11) 0.090(7) Uiso 0.30 1 d PD C 3
F15Y F 0.322(4) 1.100(3) 0.7104(19) 0.122(13) Uiso 0.30 1 d PD C 3
C15 C -0.1379(14) 0.9784(10) 0.8853(6) 0.081(3) Uani 1 1 d D B 1
F16 F -0.043(2) 1.1108(14) 0.9119(14) 0.086(7) Uiso 0.34 1 d PD B 1
F17 F -0.141(4) 0.967(3) 0.9606(14) 0.148(16) Uiso 0.34 1 d PD B 1
F18 F -0.2920(16) 0.9585(16) 0.8485(10) 0.057(5) Uiso 0.34 1 d PD B 1
F16X F 0.0167(16) 1.0538(16) 0.8906(11) 0.072(4) Uiso 0.33 1 d PD B 2
F17X F -0.175(2) 0.998(2) 0.9611(9) 0.078(6) Uiso 0.33 1 d PD B 2
F18X F -0.230(3) 1.002(4) 0.8298(19) 0.130(19) Uiso 0.33 1 d PD B 2
F16Y F -0.033(3) 1.0979(16) 0.9387(14) 0.095(8) Uiso 0.33 1 d PD D 3
F17Y F -0.204(2) 0.9132(18) 0.9322(12) 0.076(5) Uiso 0.33 1 d PD D 3
F18Y F -0.250(3) 0.993(2) 0.8364(11) 0.041(4) Uiso 0.33 1 d PD D 3
C16 C -0.3093(13) 0.5276(10) 0.9230(6) 0.072(3) Uani 1 1 d D B 1
F19 F -0.4589(13) 0.4485(15) 0.8779(7) 0.055(3) Uiso 0.40 1 d PD B 1
F20 F -0.317(2) 0.6362(15) 0.9845(10) 0.088(6) Uiso 0.40 1 d PD B 1
F21 F -0.258(2) 0.4803(18) 0.9785(11) 0.105(5) Uiso 0.40 1 d PD B 1
F19X F -0.460(2) 0.504(2) 0.8876(13) 0.084(7) Uiso 0.30 1 d PD B 2
F20X F -0.275(4) 0.584(3) 1.0074(10) 0.122(10) Uiso 0.30 1 d PD B 2
F21X F -0.297(3) 0.4126(19) 0.9175(17) 0.108(7) Uiso 0.30 1 d PD B 2
F19Y F -0.414(2) 0.4065(14) 0.8814(11) 0.071(5) Uiso 0.30 1 d PD E 3
F20Y F -0.351(3) 0.591(2) 0.9899(10) 0.065(5) Uiso 0.30 1 d PD E 3
F21Y F -0.180(3) 0.502(2) 0.9541(15) 0.104(7) Uiso 0.30 1 d PD E 3
C20 C 0.3126(12) 0.7629(9) 0.9422(5) 0.065(2) Uani 1 1 d D B 1
F22 F 0.3709(19) 0.8852(11) 0.9441(10) 0.074(4) Uiso 0.40 1 d PD B 1
F23 F 0.305(2) 0.7646(16) 1.0206(7) 0.066(4) Uiso 0.40 1 d PD B 1
F24 F 0.411(2) 0.7101(18) 0.9114(10) 0.078(5) Uiso 0.40 1 d PD B 1
F22X F 0.429(3) 0.855(2) 0.9203(17) 0.113(8) Uiso 0.30 1 d PD B 2
F23X F 0.313(3) 0.816(2) 1.0200(11) 0.101(9) Uiso 0.30 1 d PD B 2
F24X F 0.356(5) 0.665(3) 0.930(3) 0.16(2) Uiso 0.30 1 d PD B 2
F22Y F 0.447(2) 0.8708(17) 0.9883(14) 0.098(6) Uiso 0.30 1 d PD F 3
F23Y F 0.206(2) 0.7401(19) 0.9905(12) 0.078(5) Uiso 0.30 1 d PD F 3
F24Y F 0.368(2) 0.6685(15) 0.9197(11) 0.036(4) Uiso 0.30 1 d PD F 3
C12 C 0.1914(14) 0.9393(11) 0.7524(7) 0.043(3) Uiso 0.60 1 d PD B 1
C13 C 0.1155(15) 0.9895(13) 0.8150(8) 0.053(3) Uiso 0.60 1 d PD B 1
H13 H 0.1731 1.0767 0.8535 0.064 Uiso 0.60 1 calc PR B 1
C14 C -0.0424(15) 0.9159(12) 0.8230(8) 0.048(3) Uiso 0.60 1 d PD B 1
C17V C -0.247(2) 0.6131(14) 0.8675(10) 0.041(4) Uiso 0.40 1 d PD B 2
C18V C -0.215(2) 0.7461(14) 0.9004(11) 0.041(4) Uiso 0.40 1 d PD B 2
H18V H -0.2320 0.7817 0.9560 0.049 Uiso 0.40 1 calc PR B 2
C14V C -0.159(2) 0.8273(14) 0.8537(10) 0.038(4) Uiso 0.40 1 d PD B 2
C17 C -0.1688(15) 0.5802(12) 0.8771(8) 0.048(3) Uiso 0.60 1 d PD B 1
C18 C 0.0005(16) 0.6442(13) 0.9221(9) 0.058(3) Uiso 0.60 1 d PD B 1
H18 H 0.0218 0.6511 0.9799 0.069 Uiso 0.60 1 calc PR B 1
C19 C 0.1319(14) 0.6954(11) 0.8883(7) 0.043(3) Uiso 0.60 1 d PD B 1
C12V C 0.271(3) 0.9004(18) 0.7619(13) 0.060(5) Uiso 0.40 1 d PD B 2
C13V C 0.322(3) 0.883(2) 0.8387(14) 0.073(6) Uiso 0.40 1 d PD B 2
H13V H 0.4175 0.9515 0.8782 0.087 Uiso 0.40 1 calc PR B 2
C19V C 0.241(3) 0.774(2) 0.8581(12) 0.067(6) 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'
Ni Ni 0.3393 1.1124 '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 83.22(18) . . y
O8 Bi1 O5 75.30(18) . . y
O6 Bi1 O5 72.60(16) . . y
O8 Bi1 O7 79.05(18) . . y
O6 Bi1 O7 72.15(17) . . y
O5 Bi1 O7 138.28(16) . . y
O8 Bi1 O4 83.82(16) . . y
O6 Bi1 O4 143.91(16) . . y
O5 Bi1 O4 71.56(15) . . y
O7 Bi1 O4 137.29(15) . . y
O8 Bi1 O3 73.74(17) . . y
O6 Bi1 O3 137.17(16) . . y
O5 Bi1 O3 131.93(16) . . y
O7 Bi1 O3 68.37(16) . . y
O4 Bi1 O3 69.34(15) . . y
O1 Ni1 O1 180.000(1) 2_566 . y
O1 Ni1 O2 87.45(16) 2_566 2_566 y
O1 Ni1 O2 92.55(16) . 2_566 y
O1 Ni1 O2 92.55(16) 2_566 . y
O1 Ni1 O2 87.45(16) . . y
O2 Ni1 O2 180.000(1) 2_566 . y
O1 Ni1 O4 86.54(17) 2_566 . y
O1 Ni1 O4 93.46(17) . . y
O2 Ni1 O4 85.36(17) 2_566 . y
O2 Ni1 O4 94.64(17) . . y
O1 Ni1 O4 93.46(17) 2_566 2_566 y
O1 Ni1 O4 86.54(17) . 2_566 y
O2 Ni1 O4 94.64(17) 2_566 2_566 y
O2 Ni1 O4 85.36(17) . 2_566 y
O4 Ni1 O4 180.000(1) . 2_566 y
C2 O1 Ni1 123.6(4) . . n
C3 O2 Ni1 123.6(4) . . n
C7 O3 Bi1 127.9(5) . . n
C9 O4 Ni1 129.8(4) . . n
C9 O4 Bi1 123.9(4) . . n
Ni1 O4 Bi1 98.30(15) . . n
C12 O5 C12V 44.8(10) . . n
C12 O5 Bi1 131.6(6) . . n
C12V O5 Bi1 124.7(8) . . n
C14V O6 C14 72.2(10) . . n
C14V O6 Bi1 134.2(7) . . n
C14 O6 Bi1 134.2(6) . . n
C17V O7 C17 44.3(9) . . n
C17V O7 Bi1 132.9(8) . . n
C17 O7 Bi1 125.9(6) . . n
C19V O8 C19 69.4(12) . . n
C19V O8 Bi1 146.7(10) . . n
C19 O8 Bi1 135.8(6) . . n
F1 C1 F3 110.1(7) . . n
F1 C1 F2 106.0(6) . . n
F3 C1 F2 106.1(6) . . n
F1 C1 C2 109.5(6) . . n
F3 C1 C2 111.9(5) . . n
F2 C1 C2 113.1(6) . . n
O1 C2 C4 128.6(6) . 2_566 n
O1 C2 C1 114.0(5) . . n
C4 C2 C1 117.4(6) 2_566 . n
O2 C3 C4 129.0(6) . . n
O2 C3 C5 114.2(5) . . n
C4 C3 C5 116.8(6) . . n
C3 C4 C2 122.4(6) . 2_566 n
C3 C4 H4 118.8 . . n
C2 C4 H4 118.8 2_566 . n
F4 C5 F5 106.8(6) . . n
F4 C5 F6 107.5(6) . . n
F5 C5 F6 107.1(6) . . n
F4 C5 C3 110.3(6) . . n
F5 C5 C3 112.5(6) . . n
F6 C5 C3 112.2(6) . . n
F9 C6 F8 108.3(11) . . n
F9 C6 F7 110.2(13) . . n
F8 C6 F7 105.3(11) . . n
F9 C6 C7 110.5(9) . . n
F8 C6 C7 111.9(9) . . n
F7 C6 C7 110.5(8) . . n
O3 C7 C8 128.3(7) . . n
O3 C7 C6 114.4(7) . . n
C8 C7 C6 117.3(7) . . n
C9 C8 C7 120.8(7) . . n
C9 C8 H8 119.6 . . n
C7 C8 H8 119.6 . . n
O4 C9 C8 128.3(7) . . n
O4 C9 C10 114.3(6) . . n
C8 C9 C10 117.4(7) . . n
F11 C10 F12 109.4(10) . . n
F11 C10 F10 104.4(12) . . n
F12 C10 F10 108.2(12) . . n
F11 C10 C9 112.0(9) . . n
F12 C10 C9 113.6(8) . . n
F10 C10 C9 108.8(8) . . n
F14 C11 F13 109.0(16) . . n
F14 C11 F15 105.6(15) . . n
F13 C11 F15 114.0(15) . . n
F14 C11 C12 110.5(12) . . n
F13 C11 C12 116.0(12) . . n
F15 C11 C12 101.1(11) . . n
F17 C15 F18 109.5(19) . . n
F17 C15 F16 97.9(17) . . n
F18 C15 F16 107.0(13) . . n
F17 C15 C14 121.2(18) . . n
F18 C15 C14 114.4(10) . . n
F16 C15 C14 104.3(13) . . n
F19 C16 F21 111.7(13) . . n
F19 C16 F20 109.9(13) . . n
F21 C16 F20 95.9(12) . . n
F19 C16 C17 119.1(9) . . n
F21 C16 C17 110.3(13) . . n
F20 C16 C17 107.3(11) . . n
F24 C20 F23 111.1(11) . . n
F24 C20 F22 108.5(14) . . n
F23 C20 F22 108.2(11) . . n
F24 C20 C19 114.1(10) . . n
F23 C20 C19 108.5(11) . . n
F22 C20 C19 106.2(10) . . n
O5 C12 C13 126.6(10) . . n
O5 C12 C11 113.6(9) . . n
C13 C12 C11 119.6(10) . . n
C12 C13 C14 121.7(12) . . n
C12 C13 H13 119.1 . . n
C14 C13 H13 119.1 . . n
O6 C14 C13 126.9(11) . . n
O6 C14 C15 111.5(9) . . n
C13 C14 C15 121.6(11) . . n
O7 C17V C18V 126.6(13) . . n
C14V C18V C17V 121.5(14) . . n
C14V C18V H18V 119.3 . . n
C17V C18V H18V 119.3 . . n
O6 C14V C18V 127.0(13) . . n
O7 C17 C18 127.6(11) . . n
O7 C17 C16 112.4(10) . . n
C18 C17 C16 120.0(11) . . n
C19 C18 C17 124.6(13) . . n
C19 C18 H18 117.7 . . n
C17 C18 H18 117.7 . . n
O8 C19 C18 126.7(11) . . n
O8 C19 C20 112.3(9) . . n
C18 C19 C20 121.0(11) . . n
O5 C12V C13V 127.8(16) . . n
C19V C13V C12V 123.4(19) . . n
C19V C13V H13V 118.3 . . n
C12V C13V H13V 118.3 . . n
O8 C19V C13V 121.4(17) . . n
O8 C19V F22X 161(2) . . n
C13V C19V F22X 71.5(14) . . 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 2.153(5) . y
Bi1 O6 2.322(4) . y
Bi1 O5 2.347(4) . y
Bi1 O7 2.347(4) . y
Bi1 O4 2.459(4) . y
Bi1 O3 2.492(4) . y
Ni1 O1 1.977(4) 2_566 y
Ni1 O1 1.977(4) . y
Ni1 O2 1.992(4) 2_566 y
Ni1 O2 1.992(4) . y
Ni1 O4 2.163(4) . y
Ni1 O4 2.163(4) 2_566 y
O1 C2 1.268(7) . n
O2 C3 1.256(7) . n
O3 C7 1.218(9) . n
O4 C9 1.296(8) . n
O5 C12 1.270(12) . n
O5 C12V 1.31(2) . n
O6 C14V 1.192(16) . n
O6 C14 1.225(13) . n
O7 C17V 1.211(17) . n
O7 C17 1.253(13) . n
O8 C19V 1.10(2) . n
O8 C19 1.217(12) . n
C1 F1 1.309(9) . n
C1 F3 1.322(8) . n
C1 F2 1.324(9) . n
C1 C2 1.532(9) . n
C2 C4 1.391(9) 2_566 n
C3 C4 1.383(9) . n
C3 C5 1.525(9) . n
C4 C2 1.391(9) 2_566 n
C4 H4 0.9500 . n
C5 F4 1.327(9) . n
C5 F5 1.331(9) . n
C5 F6 1.342(8) . n
C6 F9 1.287(12) . n
C6 F8 1.359(12) . n
C6 F7 1.371(13) . n
C6 C7 1.563(11) . n
C7 C8 1.422(12) . n
C8 C9 1.367(10) . n
C8 H8 0.9500 . n
C9 C10 1.508(10) . n
C10 F11 1.325(12) . n
C10 F12 1.374(11) . n
C10 F10 1.379(12) . n
C11 F14 1.295(13) . n
C11 F13 1.305(14) . n
C11 F15 1.310(13) . n
C11 C12 1.538(13) . n
C15 F17 1.315(17) . n
C15 F18 1.357(14) . n
C15 F16 1.377(15) . n
C15 C14 1.565(13) . n
C16 F19 1.314(13) . n
C16 F21 1.345(15) . n
C16 F20 1.404(14) . n
C16 C17 1.542(14) . n
C20 F24 1.288(13) . n
C20 F23 1.321(13) . n
C20 F22 1.324(13) . n
C20 C19 1.561(14) . n
F22X C19V 1.66(3) . n
C12 C13 1.384(15) . n
C13 C14 1.388(15) . n
C13 H13 0.9500 . n
C17V C18V 1.396(18) . n
C18V C14V 1.389(17) . n
C18V H18V 0.9500 . n
C17 C18 1.432(17) . n
C18 C19 1.349(16) . n
C18 H18 0.9500 . n
C12V C13V 1.43(2) . n
C13V C19V 1.37(2) . n
C13V H13V 0.9500 . n
