#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:33:38 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178875 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/04/4110446.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_4110446
loop_
_publ_author_name
'Evgeny V. Dikarev'
'Bo Li'
'Haitao Zhang'
_publ_section_title
;
 Tuning the Properties at Heterobimetallic Core: Mixed-Ligand
 Bismuth-Rhodium Paddlewheel Carboxylates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2814
_journal_page_last               2815
_journal_paper_doi               10.1021/ja058294h
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'Bi2 Rh2 (O2 C C F3)5 (O2 C C (CH3)3)3'
_chemical_formula_sum            'C25 H27 Bi2 F15 O16 Rh2'
_chemical_formula_weight         1492.25
_chemical_name_systematic
; 
 [bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium)]- 
 [tris(mu2-trifluoroacetateo-O,O')-(mu2-pivolate-O,O')-(bismuth-rhodium)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 102.6750(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.9073(11)
_cell_length_b                   9.6475(5)
_cell_length_c                   21.6942(11)
_cell_measurement_reflns_used    9354
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.34
_cell_volume                     4269.2(4)
_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      90(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_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  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            36378
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.92
_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    9.105
_exptl_absorpt_correction_T_max  0.6111
_exptl_absorpt_correction_T_min  0.3067
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.322
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.197
_refine_diff_density_min         -0.901
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         10050
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0322
_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)+(0.0422P)²+4.6081P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0787
_reflns_number_gt                8166
_reflns_number_total             10050
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja058294hsi20051206_043728.cif
_cod_data_source_block
(3)_BiRh(O2CCF3)2(O2CCMe3)2-BiRh(O2CCF3)3(O2CCMe3)
_cod_database_code               4110446
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.664771(9) 0.429841(17) 0.326733(9) 0.02506(6) Uani 1 1 d . . .
Bi2 Bi 0.785274(9) -0.067124(17) 0.461210(9) 0.02364(6) Uani 1 1 d . . .
Rh1 Rh 0.706716(19) 0.18339(3) 0.329266(18) 0.02276(9) Uani 1 1 d . . .
Rh2 Rh 0.789719(19) -0.31606(3) 0.425369(18) 0.02325(9) Uani 1 1 d . . .
O1 O 0.58308(18) 0.3495(4) 0.25007(18) 0.0335(8) Uani 1 1 d . . .
O2 O 0.5995(2) 0.3059(4) 0.3954(2) 0.0400(9) Uani 1 1 d . A .
O3 O 0.78696(17) 0.4501(3) 0.39089(18) 0.0283(8) Uani 1 1 d . . .
O4 O 0.71739(19) 0.4479(3) 0.24532(19) 0.0333(9) Uani 1 1 d . . .
O5 O 0.62524(17) 0.1347(4) 0.26428(17) 0.0289(8) Uani 1 1 d . . .
O6 O 0.66251(18) 0.1144(3) 0.39769(17) 0.0295(8) Uani 1 1 d . A .
O7 O 0.79216(17) 0.2168(3) 0.39360(17) 0.0281(8) Uani 1 1 d . B .
O8 O 0.75490(18) 0.2306(3) 0.26212(17) 0.0297(8) Uani 1 1 d . . .
O9 O 0.85332(18) -0.1498(3) 0.55316(17) 0.0308(8) Uani 1 1 d . C .
O10 O 0.7058(2) -0.1898(4) 0.51465(19) 0.0391(9) Uani 1 1 d . D .
O11 O 0.74543(18) -0.0516(3) 0.33875(17) 0.0283(8) Uani 1 1 d . . .
O12 O 0.88218(19) -0.0530(3) 0.43136(18) 0.0318(8) Uani 1 1 d . . .
O13 O 0.84181(17) -0.3655(3) 0.51259(17) 0.0288(8) Uani 1 1 d . C .
O14 O 0.70758(18) -0.3787(3) 0.45387(17) 0.0288(8) Uani 1 1 d . D .
O15 O 0.73904(17) -0.2837(3) 0.33550(16) 0.0259(7) Uani 1 1 d . . .
O16 O 0.87016(17) -0.2699(3) 0.39308(17) 0.0262(7) Uani 1 1 d . . .
C1 C 0.5830(3) 0.2214(6) 0.2364(2) 0.0300(11) Uani 1 1 d . . .
C2 C 0.5318(3) 0.1736(6) 0.1794(3) 0.0373(13) Uani 1 1 d . . .
C9 C 0.4667(3) 0.2336(8) 0.1816(3) 0.0494(16) Uani 1 1 d . . .
H9A H 0.4537 0.2021 0.2200 0.074 Uiso 1 1 calc R . .
H9B H 0.4341 0.2032 0.1444 0.074 Uiso 1 1 calc R . .
H9C H 0.4696 0.3350 0.1818 0.074 Uiso 1 1 calc R . .
C10 C 0.5540(4) 0.2314(8) 0.1216(3) 0.0537(17) Uani 1 1 d . . .
H10A H 0.5233 0.2015 0.0830 0.081 Uiso 1 1 calc R . .
H10B H 0.5980 0.1966 0.1214 0.081 Uiso 1 1 calc R . .
H10C H 0.5549 0.3328 0.1236 0.081 Uiso 1 1 calc R . .
C11 C 0.5277(3) 0.0174(6) 0.1753(3) 0.0458(16) Uani 1 1 d . . .
H11A H 0.5161 -0.0194 0.2135 0.069 Uiso 1 1 calc R . .
H11B H 0.5703 -0.0202 0.1717 0.069 Uiso 1 1 calc R . .
H11C H 0.4942 -0.0096 0.1382 0.069 Uiso 1 1 calc R . .
C3 C 0.6173(3) 0.1868(6) 0.4128(3) 0.0328(12) Uani 1 1 d . . .
C4 C 0.5816(3) 0.1120(7) 0.4583(3) 0.0460(15) Uani 1 1 d D A 1
F1 F 0.6229(4) 0.1036(18) 0.5168(4) 0.0220(19) Uiso 0.40 1 d PD A 1
F2 F 0.5666(6) -0.0204(9) 0.4391(5) 0.028(2) Uiso 0.40 1 d PD A 1
F3 F 0.5281(5) 0.1793(13) 0.4650(6) 0.033(2) Uiso 0.40 1 d PD A 1
F1X F 0.6209(10) 0.140(2) 0.5167(8) 0.096(13) Uiso 0.30 1 d PD A 2
F2X F 0.5842(8) -0.0292(11) 0.4546(8) 0.048(5) Uiso 0.30 1 d PD A 2
F3X F 0.5196(6) 0.1403(19) 0.4525(8) 0.067(6) Uiso 0.30 1 d PD A 2
F1Y F 0.6218(10) 0.061(2) 0.5105(9) 0.105(12) Uiso 0.30 1 d PD A 3
F2Y F 0.5418(11) 0.014(2) 0.4295(10) 0.112(9) Uiso 0.30 1 d PD A 3
F3Y F 0.5440(9) 0.2099(16) 0.4803(9) 0.074(7) Uiso 0.30 1 d PD A 3
C5 C 0.8144(3) 0.3374(5) 0.4072(3) 0.0307(12) Uani 1 1 d . . .
C6 C 0.8844(3) 0.3390(5) 0.4497(3) 0.0437(15) Uani 1 1 d D B 1
F4 F 0.8743(5) 0.3266(10) 0.5127(4) 0.047(2) Uiso 0.50 1 d PD B 1
F5 F 0.9187(3) 0.2338(7) 0.4454(4) 0.0401(18) Uiso 0.50 1 d PD B 1
F6 F 0.9157(3) 0.4611(6) 0.4405(4) 0.0267(18) Uiso 0.50 1 d PD B 1
F4X F 0.8875(6) 0.2985(11) 0.5047(5) 0.067(3) Uiso 0.50 1 d PD B 2
F5X F 0.9244(3) 0.2520(7) 0.4211(3) 0.0337(16) Uiso 0.50 1 d PD B 2
F6X F 0.9116(4) 0.4568(7) 0.4583(4) 0.0302(19) Uiso 0.50 1 d PD B 2
C7 C 0.7514(3) 0.3468(5) 0.2347(3) 0.0305(11) Uani 1 1 d . . .
C8 C 0.7952(3) 0.3669(6) 0.1881(3) 0.0418(14) Uani 1 1 d . . .
C12 C 0.8539(4) 0.4538(9) 0.2233(4) 0.072(2) Uani 1 1 d . . .
H12A H 0.8788 0.4005 0.2590 0.109 Uiso 1 1 calc R . .
H12B H 0.8379 0.5396 0.2388 0.109 Uiso 1 1 calc R . .
H12C H 0.8823 0.4764 0.1943 0.109 Uiso 1 1 calc R . .
C13 C 0.8197(4) 0.2323(8) 0.1685(4) 0.066(2) Uani 1 1 d . . .
H13A H 0.8401 0.1789 0.2061 0.100 Uiso 1 1 calc R . .
H13B H 0.8521 0.2499 0.1429 0.100 Uiso 1 1 calc R . .
H13C H 0.7829 0.1795 0.1435 0.100 Uiso 1 1 calc R . .
C14 C 0.7588(4) 0.4480(7) 0.1316(3) 0.0556(18) Uani 1 1 d . . .
H14A H 0.7881 0.4655 0.1028 0.083 Uiso 1 1 calc R . .
H14B H 0.7441 0.5364 0.1458 0.083 Uiso 1 1 calc R . .
H14C H 0.7208 0.3945 0.1096 0.083 Uiso 1 1 calc R . .
C15 C 0.8617(3) -0.2782(5) 0.5554(3) 0.0300(11) Uani 1 1 d . . .
C16 C 0.9019(3) -0.3363(5) 0.6172(3) 0.0342(12) Uani 1 1 d D C 1
F7 F 0.9253(5) -0.2410(8) 0.6616(4) 0.0297(18) Uiso 0.40 1 d PD C 1
F8 F 0.8647(6) -0.4292(13) 0.6419(6) 0.064(3) Uiso 0.40 1 d PD C 1
F9 F 0.9567(6) -0.4027(15) 0.6049(6) 0.065(3) Uiso 0.40 1 d PD C 1
F7X F 0.8984(8) -0.2565(14) 0.6674(6) 0.055(4) Uiso 0.30 1 d PD C 2
F8X F 0.8884(7) -0.4687(10) 0.6279(6) 0.037(3) Uiso 0.30 1 d PD C 2
F9X F 0.9686(6) -0.337(2) 0.6118(9) 0.082(5) Uiso 0.30 1 d PD C 2
F7Y F 0.9499(7) -0.2549(13) 0.6462(7) 0.054(4) Uiso 0.30 1 d PD C 3
F8Y F 0.8564(6) -0.3482(17) 0.6572(6) 0.063(4) Uiso 0.30 1 d PD C 3
F9Y F 0.9265(6) -0.4630(10) 0.6145(5) 0.039(3) Uiso 0.30 1 d PD C 3
C17 C 0.6880(3) -0.3069(5) 0.4949(2) 0.0312(11) Uani 1 1 d . . .
C18 C 0.6355(3) -0.3805(7) 0.5230(3) 0.0407(14) Uani 1 1 d D D 1
F10 F 0.6113(6) -0.2938(11) 0.5625(6) 0.042(3) Uiso 0.40 1 d PD D 1
F11 F 0.6631(5) -0.4879(12) 0.5594(6) 0.040(2) Uiso 0.40 1 d PD D 1
F12 F 0.5863(5) -0.4258(15) 0.4779(4) 0.027(2) Uiso 0.40 1 d PD D 1
F10X F 0.5912(8) -0.2870(14) 0.5389(8) 0.067(5) Uiso 0.30 1 d PD D 2
F11X F 0.6626(8) -0.4403(18) 0.5769(6) 0.067(5) Uiso 0.30 1 d PD D 2
F12X F 0.5978(7) -0.4684(14) 0.4834(6) 0.046(5) Uiso 0.30 1 d PD D 2
F10Y F 0.6279(8) -0.3302(16) 0.5763(6) 0.054(4) Uiso 0.30 1 d PD D 3
F11Y F 0.6561(7) -0.5185(12) 0.5378(7) 0.049(4) Uiso 0.30 1 d PD D 3
F12Y F 0.5789(7) -0.3883(18) 0.4804(7) 0.062(7) Uiso 0.30 1 d PD D 3
C19 C 0.7340(2) -0.1652(5) 0.3114(2) 0.0255(10) Uani 1 1 d . . .
C20 C 0.7121(3) -0.1686(5) 0.2387(3) 0.0313(12) Uani 1 1 d . . .
C21 C 0.8995(3) -0.1541(5) 0.4006(2) 0.0267(11) Uani 1 1 d . . .
C22 C 0.9547(3) -0.1292(5) 0.3676(3) 0.0309(12) Uani 1 1 d . . .
C23 C 0.9786(3) -0.2654(6) 0.3446(4) 0.0535(19) Uani 1 1 d . . .
H23A H 0.9431 -0.3077 0.3132 0.080 Uiso 1 1 calc R . .
H23B H 0.9920 -0.3286 0.3804 0.080 Uiso 1 1 calc R . .
H23C H 1.0160 -0.2471 0.3253 0.080 Uiso 1 1 calc R . .
C24 C 0.9275(3) -0.0320(7) 0.3115(3) 0.0481(16) Uani 1 1 d . . .
H24A H 0.9624 -0.0094 0.2895 0.072 Uiso 1 1 calc R . .
H24B H 0.9113 0.0534 0.3271 0.072 Uiso 1 1 calc R . .
H24C H 0.8915 -0.0782 0.2821 0.072 Uiso 1 1 calc R . .
C25 C 1.0106(3) -0.0567(6) 0.4126(3) 0.0396(14) Uani 1 1 d . . .
H25A H 1.0466 -0.0404 0.3913 0.059 Uiso 1 1 calc R . .
H25B H 1.0260 -0.1151 0.4498 0.059 Uiso 1 1 calc R . .
H25C H 0.9951 0.0321 0.4257 0.059 Uiso 1 1 calc R . .
F13 F 0.7578(2) -0.2353(4) 0.21555(16) 0.0512(9) Uani 1 1 d . . .
F14 F 0.65714(19) -0.2367(4) 0.22056(16) 0.0512(9) Uani 1 1 d . . .
F15 F 0.70594(18) -0.0438(3) 0.21309(15) 0.0414(8) Uani 1 1 d . . .
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'
Rh Rh -1.1178 0.9187 '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
O1 Bi1 O4 82.57(14) . .
O1 Bi1 O2 81.48(14) . .
O4 Bi1 O2 154.83(12) . .
O1 Bi1 Rh1 83.99(9) . .
O4 Bi1 Rh1 82.24(8) . .
O2 Bi1 Rh1 76.83(8) . .
O1 Bi1 O3 155.39(12) . .
O4 Bi1 O3 80.04(13) . .
O2 Bi1 O3 108.05(12) . .
Rh1 Bi1 O3 76.53(7) . .
O12 Bi2 O9 81.27(14) . .
O12 Bi2 O10 151.89(12) . .
O9 Bi2 O10 77.58(13) . .
O12 Bi2 Rh2 82.74(8) . .
O9 Bi2 Rh2 83.17(8) . .
O10 Bi2 Rh2 76.59(9) . .
O12 Bi2 O11 79.10(13) . .
O9 Bi2 O11 153.27(12) . .
O10 Bi2 O11 113.59(12) . .
Rh2 Bi2 O11 76.51(7) . .
O8 Rh1 O5 91.55(15) . .
O8 Rh1 O6 173.63(14) . .
O5 Rh1 O6 89.12(15) . .
O8 Rh1 O7 87.53(15) . .
O5 Rh1 O7 175.20(13) . .
O6 Rh1 O7 91.28(15) . .
O8 Rh1 O11 93.62(13) . .
O5 Rh1 O11 93.28(13) . .
O6 Rh1 O11 80.01(13) . .
O7 Rh1 O11 82.08(12) . .
O8 Rh1 Bi1 89.88(9) . .
O5 Rh1 Bi1 88.17(10) . .
O6 Rh1 Bi1 96.47(10) . .
O7 Rh1 Bi1 96.54(9) . .
O11 Rh1 Bi1 176.17(9) . .
O16 Rh2 O13 93.35(14) . .
O16 Rh2 O15 86.07(14) . .
O13 Rh2 O15 174.92(13) . .
O16 Rh2 O14 175.02(14) . .
O13 Rh2 O14 87.87(15) . .
O15 Rh2 O14 92.29(14) . .
O16 Rh2 O3 93.74(13) . 1_545
O13 Rh2 O3 92.38(13) . 1_545
O15 Rh2 O3 82.63(12) . 1_545
O14 Rh2 O3 81.38(13) . 1_545
O16 Rh2 Bi2 89.24(9) . .
O13 Rh2 Bi2 89.14(9) . .
O15 Rh2 Bi2 95.90(9) . .
O14 Rh2 Bi2 95.61(10) . .
O3 Rh2 Bi2 176.57(9) 1_545 .
C1 O1 Bi1 118.1(3) . .
C3 O2 Bi1 117.0(3) . .
C5 O3 Rh2 139.7(3) . 1_565
C5 O3 Bi1 114.7(3) . .
Rh2 O3 Bi1 101.00(11) 1_565 .
C7 O4 Bi1 118.0(3) . .
C1 O5 Rh1 125.0(3) . .
C3 O6 Rh1 119.5(3) . .
C5 O7 Rh1 121.9(3) . .
C7 O8 Rh1 124.0(3) . .
C15 O9 Bi2 115.4(3) . .
C17 O10 Bi2 116.7(3) . .
C19 O11 Rh1 139.9(3) . .
C19 O11 Bi2 114.8(3) . .
Rh1 O11 Bi2 99.66(12) . .
C21 O12 Bi2 118.5(3) . .
C15 O13 Rh2 123.9(3) . .
C17 O14 Rh2 118.4(3) . .
C19 O15 Rh2 121.3(3) . .
C21 O16 Rh2 124.7(3) . .
O5 C1 O1 124.3(5) . .
O5 C1 C2 118.8(5) . .
O1 C1 C2 116.8(5) . .
C9 C2 C11 110.5(5) . .
C9 C2 C1 110.0(5) . .
C11 C2 C1 111.8(5) . .
C9 C2 C10 109.1(5) . .
C11 C2 C10 109.8(5) . .
C1 C2 C10 105.6(5) . .
C2 C9 H9A 109.5 . .
C2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C2 C10 H10A 109.5 . .
C2 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C2 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C2 C11 H11A 109.5 . .
C2 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C2 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O2 C3 O6 128.1(5) . .
O2 C3 C4 118.3(5) . .
O6 C3 C4 113.6(5) . .
F3 C4 F2 110.5(10) . .
F3 C4 F1 107.5(9) . .
F2 C4 F1 106.5(10) . .
F3 C4 C3 112.3(7) . .
F2 C4 C3 110.8(6) . .
F1 C4 C3 109.0(7) . .
O3 C5 O7 128.0(5) . .
O3 C5 C6 118.5(4) . .
O7 C5 C6 113.5(4) . .
F5 C6 F6 112.5(7) . .
F5 C6 F4 102.0(7) . .
F6 C6 F4 112.5(6) . .
F5 C6 C5 115.4(6) . .
F6 C6 C5 109.8(5) . .
F4 C6 C5 104.4(6) . .
O4 C7 O8 125.4(5) . .
O4 C7 C8 118.0(5) . .
O8 C7 C8 116.5(5) . .
C13 C8 C14 111.2(6) . .
C13 C8 C7 111.9(5) . .
C14 C8 C7 109.6(5) . .
C13 C8 C12 109.2(6) . .
C14 C8 C12 108.9(6) . .
C7 C8 C12 105.8(5) . .
C8 C12 H12A 109.5 . .
C8 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C8 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C8 C13 H13A 109.5 . .
C8 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C8 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C8 C14 H14A 109.5 . .
C8 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C8 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O9 C15 O13 127.9(5) . .
O9 C15 C16 116.4(5) . .
O13 C15 C16 115.7(4) . .
F7 C16 F8 108.4(8) . .
F7 C16 F9 105.4(8) . .
F8 C16 F9 109.6(8) . .
F7 C16 C15 115.0(5) . .
F8 C16 C15 109.5(7) . .
F9 C16 C15 108.7(7) . .
O10 C17 O14 128.6(5) . .
O10 C17 C18 118.1(5) . .
O14 C17 C18 113.3(5) . .
F12 C18 F11 109.9(10) . .
F12 C18 F10 109.2(9) . .
F11 C18 F10 105.6(9) . .
F12 C18 C17 111.4(6) . .
F11 C18 C17 109.5(6) . .
F10 C18 C17 111.0(6) . .
O11 C19 O15 128.0(5) . .
O11 C19 C20 119.3(4) . .
O15 C19 C20 112.7(4) . .
F14 C20 F15 109.4(5) . .
F14 C20 F13 107.3(4) . .
F15 C20 F13 107.0(4) . .
F14 C20 C19 111.3(4) . .
F15 C20 C19 113.0(4) . .
F13 C20 C19 108.5(4) . .
O16 C21 O12 123.8(5) . .
O16 C21 C22 118.6(4) . .
O12 C21 C22 117.5(4) . .
C21 C22 C25 109.2(5) . .
C21 C22 C23 111.0(4) . .
C25 C22 C23 110.2(5) . .
C21 C22 C24 106.5(4) . .
C25 C22 C24 109.0(5) . .
C23 C22 C24 110.8(5) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C22 C25 H25A 109.5 . .
C22 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C22 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
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 O1 2.244(4) . y
Bi1 O4 2.283(4) . y
Bi1 O2 2.529(4) . y
Bi1 Rh1 2.5307(4) . y
Bi1 O3 2.635(4) . y
Bi2 O12 2.262(4) . y
Bi2 O9 2.323(3) . y
Bi2 O10 2.520(4) . y
Bi2 Rh2 2.5323(4) . y
Bi2 O11 2.608(4) . y
Rh1 O8 1.997(4) . y
Rh1 O5 2.014(3) . y
Rh1 O6 2.025(3) . y
Rh1 O7 2.037(3) . y
Rh1 O11 2.401(3) . y
Rh2 O16 2.009(3) . y
Rh2 O13 2.022(3) . y
Rh2 O15 2.028(3) . y
Rh2 O14 2.040(4) . y
Rh2 O3 2.373(3) 1_545 y
O1 C1 1.271(6) . ?
O2 C3 1.241(6) . ?
O3 C5 1.244(5) . ?
O3 Rh2 2.373(3) 1_565 ?
O4 C7 1.257(6) . ?
O5 C1 1.269(6) . ?
O6 C3 1.275(6) . ?
O7 C5 1.264(6) . ?
O8 C7 1.264(6) . ?
O9 C15 1.250(6) . ?
O10 C17 1.236(6) . ?
O11 C19 1.244(5) . ?
O12 C21 1.278(6) . ?
O13 C15 1.256(6) . ?
O14 C17 1.265(6) . ?
O15 C19 1.252(5) . ?
O16 C21 1.268(6) . ?
C1 C2 1.518(8) . ?
C2 C9 1.489(9) . ?
C2 C11 1.511(8) . ?
C2 C10 1.533(9) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C3 C4 1.540(8) . ?
C4 F3 1.328(10) . ?
C4 F2 1.358(10) . ?
C4 F1 1.373(9) . ?
C5 C6 1.549(8) . ?
C6 F5 1.257(8) . ?
C6 F6 1.383(8) . ?
C6 F4 1.434(10) . ?
C7 C8 1.519(8) . ?
C8 C13 1.493(9) . ?
C8 C14 1.510(9) . ?
C8 C12 1.542(10) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.523(7) . ?
C16 F7 1.344(9) . ?
C16 F8 1.371(10) . ?
C16 F9 1.390(10) . ?
C17 C18 1.540(8) . ?
C18 F12 1.329(9) . ?
C18 F11 1.353(10) . ?
C18 F10 1.372(10) . ?
C19 C20 1.543(7) . ?
C20 F14 1.308(6) . ?
C20 F15 1.321(5) . ?
C20 F13 1.339(6) . ?
C21 C22 1.507(7) . ?
C22 C25 1.518(7) . ?
C22 C23 1.527(7) . ?
C22 C24 1.543(8) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
