#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:55:39 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179906 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/02/7020272.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_7020272
loop_
_publ_author_name
'Chandrasekhar, Vadapalli'
'Metre, Ramesh K.'
_publ_section_title
;
 Bismuth-ferrocene carboxylates: synthesis and structure.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11684
_journal_page_last               11691
_journal_paper_doi               10.1039/c2dt31153d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H24 Bi2 Fe3 O12'
_chemical_formula_sum            'C36 H24 Bi2 Fe3 O12'
_chemical_formula_weight         1234.06
_chemical_name_systematic
;
?
;
_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                104.612(11)
_cell_angle_beta                 110.110(10)
_cell_angle_gamma                106.666(10)
_cell_formula_units_Z            2
_cell_length_a                   11.446(7)
_cell_length_b                   13.148(8)
_cell_length_c                   13.638(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1700.1(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0661
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6202
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    11.633
_exptl_absorpt_correction_T_max  24.62
_exptl_absorpt_correction_T_min  2.56
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1160.0
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         4.851
_refine_diff_density_min         -2.928
_refine_diff_density_rms         0.344
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6202
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0579
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1161P)²+0.3044P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1920
_reflns_number_gt                4464
_reflns_number_total             6202
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31153d.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1700.0(17)
_cod_database_code               7020272
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
Bi1 Bi 1.09668(5) 0.38215(5) 0.52099(5) 0.0446(2) Uani 1 1 d .
Bi2 Bi 0.55808(5) 0.46065(4) 0.15730(4) 0.0412(2) Uani 1 1 d .
Fe1 Fe 0.8953(3) 0.26053(19) 0.0505(2) 0.0507(6) Uani 1 1 d .
Fe2 Fe 0.5625(2) 0.23778(18) 0.48286(18) 0.0443(5) Uani 1 1 d .
Fe3 Fe 0.17623(18) 0.11627(16) -0.25622(15) 0.0325(4) Uani 1 1 d .
O1 O 1.1259(12) 0.3140(10) 0.3481(10) 0.061(3) Uani 1 1 d .
O2 O 0.9279(10) 0.2801(8) 0.3476(8) 0.043(2) Uani 1 1 d .
O3 O 0.8027(10) 0.4984(9) 0.2099(8) 0.049(3) Uani 1 1 d .
O4 O 0.6294(10) 0.3684(8) 0.0484(8) 0.047(2) Uani 1 1 d .
O5 O 0.9321(10) 0.2893(8) 0.5639(8) 0.045(2) Uani 1 1 d .
O6 O 0.9151(11) 0.4476(9) 0.5450(9) 0.051(3) Uani 1 1 d .
O7 O 0.6041(11) 0.3617(10) 0.2613(9) 0.055(3) Uani 1 1 d .
O8 O 0.4462(13) 0.4030(10) 0.2930(11) 0.071(3) Uani 1 1 d .
O9 O 0.3700(11) 0.2925(9) 0.0519(8) 0.052(3) Uani 1 1 d .
O10 O 0.3533(11) 0.4070(8) -0.0394(9) 0.052(3) Uani 1 1 d .
O11 O 1.1150(10) 0.2117(8) 0.5122(8) 0.046(2) Uani 1 1 d .
O12 O 1.2997(11) 0.3505(8) 0.6527(8) 0.046(2) Uani 1 1 d .
C1 C 0.9293(19) 0.1962(14) 0.1739(14) 0.056(4) Uani 1 1 d .
C2 C 0.991(2) 0.1633(15) 0.1037(16) 0.067(5) Uani 1 1 d .
H2 H 1.0880 0.1797 0.1282 0.080 Uiso 1 1 calc R
C3 C 0.883(2) 0.0983(17) -0.0088(17) 0.073(6) Uani 1 1 d .
H3 H 0.8909 0.0615 -0.0768 0.087 Uiso 1 1 calc R
C4 C 0.765(2) 0.0935(15) -0.0019(16) 0.069(5) Uani 1 1 d .
H4 H 0.6758 0.0562 -0.0682 0.083 Uiso 1 1 calc R
C5 C 0.785(2) 0.1521(14) 0.1009(14) 0.058(5) Uani 1 1 d .
H5 H 0.7153 0.1607 0.1238 0.069 Uiso 1 1 calc R
C6 C 0.8535(16) 0.4009(12) 0.0656(12) 0.045(4) Uani 1 1 d .
C7 C 0.9929(19) 0.4327(15) 0.1212(16) 0.063(5) Uani 1 1 d .
H7 H 1.0502 0.4783 0.2026 0.076 Uiso 1 1 calc R
C8 C 1.038(2) 0.3903(16) 0.0476(18) 0.064(5) Uani 1 1 d .
H8 H 1.1328 0.4006 0.0667 0.077 Uiso 1 1 calc R
C9 C 0.928(2) 0.3282(19) -0.0591(18) 0.073(6) Uani 1 1 d .
H9 H 0.9313 0.2880 -0.1286 0.088 Uiso 1 1 calc R
C10 C 0.8139(18) 0.3387(14) -0.0505(14) 0.056(4) Uani 1 1 d .
H10 H 0.7214 0.3048 -0.1127 0.067 Uiso 1 1 calc R
C11 C 0.9990(16) 0.2691(13) 0.2970(14) 0.046(4) Uani 1 1 d .
C12 C 0.7554(16) 0.4239(12) 0.1120(13) 0.046(4) Uani 1 1 d .
C13 C 0.7570(15) 0.3325(13) 0.5948(11) 0.045(4) Uani 1 1 d .
C14 C 0.6833(18) 0.3995(15) 0.6053(14) 0.062(5) Uani 1 1 d .
H14 H 0.6981 0.4721 0.5944 0.074 Uiso 1 1 calc R
C15 C 0.5851(18) 0.3437(15) 0.6353(14) 0.064(5) Uani 1 1 d .
H15 H 0.5165 0.3694 0.6465 0.077 Uiso 1 1 calc R
C16 C 0.5956(19) 0.2443(16) 0.6393(15) 0.063(5) Uani 1 1 d .
H16 H 0.5367 0.1880 0.6560 0.076 Uiso 1 1 calc R
C17 C 0.7065(17) 0.2359(14) 0.6202(14) 0.054(4) Uani 1 1 d .
H17 H 0.7408 0.1759 0.6232 0.064 Uiso 1 1 calc R
C18 C 0.4814(15) 0.2438(13) 0.3280(14) 0.050(4) Uani 1 1 d .
C19 C 0.3762(16) 0.2044(15) 0.3577(16) 0.064(5) Uani 1 1 d .
H19 H 0.3139 0.2403 0.3654 0.077 Uiso 1 1 calc R
C20 C 0.378(2) 0.1011(18) 0.3755(19) 0.085(6) Uani 1 1 d .
H20 H 0.3168 0.0528 0.3970 0.103 Uiso 1 1 calc R
C21 C 0.486(2) 0.0821(15) 0.3535(16) 0.069(6) Uani 1 1 d .
H21 H 0.5119 0.0182 0.3583 0.083 Uiso 1 1 calc R
C22 C 0.5457(19) 0.1674(14) 0.3270(15) 0.060(4) Uani 1 1 d .
H22 H 0.6227 0.1750 0.3089 0.072 Uiso 1 1 calc R
C23 C 0.8704(13) 0.3587(11) 0.5634(10) 0.034(3) Uani 1 1 d U
C24 C 0.5127(15) 0.3437(13) 0.2951(12) 0.045(4) Uani 1 1 d .
C25 C 0.3063(14) 0.3131(12) -0.0320(11) 0.037(3) Uani 1 1 d .
C26 C 0.1778(13) 0.2189(11) -0.1178(11) 0.036(3) Uani 1 1 d .
C27 C 0.1217(14) 0.1047(13) -0.1318(12) 0.046(4) Uani 1 1 d .
H27 H 0.1614 0.0740 -0.0766 0.055 Uiso 1 1 calc R
C28 C 0.0116(13) 0.0398(11) -0.2320(12) 0.041(3) Uani 1 1 d .
H28 H -0.0421 -0.0434 -0.2602 0.050 Uiso 1 1 calc R
C29 C -0.0136(13) 0.1122(12) -0.2897(11) 0.037(3) Uani 1 1 d .
H29 H -0.0881 0.0883 -0.3649 0.045 Uiso 1 1 calc R
C30 C 0.0886(13) 0.2269(12) -0.2185(12) 0.042(3) Uani 1 1 d .
H30 H 0.0971 0.2964 -0.2348 0.051 Uiso 1 1 calc R
C31 C 0.3671(13) 0.1878(12) -0.2446(12) 0.038(3) Uani 1 1 d .
H31 H 0.4379 0.2646 -0.1914 0.046 Uiso 1 1 calc R
C32 C 0.2590(13) 0.1602(11) -0.3551(11) 0.032(3) Uani 1 1 d .
C33 C 0.1791(15) 0.0413(11) -0.4055(11) 0.038(3) Uani 1 1 d .
H33 H 0.1004 -0.0015 -0.4805 0.045 Uiso 1 1 calc R
C34 C 0.2370(16) -0.0057(12) -0.3281(12) 0.045(4) Uani 1 1 d .
H34 H 0.2002 -0.0872 -0.3396 0.054 Uiso 1 1 calc R
C35 C 0.3501(15) 0.0844(12) -0.2271(14) 0.047(4) Uani 1 1 d .
H35 H 0.4059 0.0758 -0.1595 0.057 Uiso 1 1 calc R
C36 C 1.2248(13) 0.2476(12) 0.6004(11) 0.035(3) 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'
Fe Fe 0.3463 0.8444 '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
O2 Bi1 O5 80.7(4) . .
O2 Bi1 O11 85.0(3) . .
O5 Bi1 O11 75.4(4) . .
O2 Bi1 O1 55.0(4) . .
O5 Bi1 O1 128.1(4) . .
O11 Bi1 O1 75.1(4) . .
O2 Bi1 O6 80.7(3) . .
O5 Bi1 O6 54.2(3) . .
O11 Bi1 O6 129.2(4) . .
O1 Bi1 O6 129.2(4) . .
O2 Bi1 O12 134.6(3) . .
O5 Bi1 O12 98.9(3) . .
O11 Bi1 O12 52.0(3) . .
O1 Bi1 O12 95.4(3) . .
O6 Bi1 O12 135.3(3) . .
O2 Bi1 O6 81.2(3) . 2_766
O5 Bi1 O6 120.1(3) . 2_766
O11 Bi1 O6 156.8(3) . 2_766
O1 Bi1 O6 81.7(3) . 2_766
O6 Bi1 O6 66.7(4) . 2_766
O12 Bi1 O6 132.6(3) . 2_766
O2 Bi1 C11 27.5(4) . .
O5 Bi1 C11 104.6(4) . .
O11 Bi1 C11 78.4(4) . .
O1 Bi1 C11 27.5(4) . .
O6 Bi1 C11 105.6(4) . .
O12 Bi1 C11 116.4(4) . .
O6 Bi1 C11 80.8(4) 2_766 .
O2 Bi1 C23 79.1(3) . .
O5 Bi1 C23 27.5(3) . .
O11 Bi1 C23 102.6(4) . .
O1 Bi1 C23 134.1(4) . .
O6 Bi1 C23 26.7(3) . .
O12 Bi1 C23 119.7(3) . .
O6 Bi1 C23 93.0(3) 2_766 .
C11 Bi1 C23 106.6(4) . .
O7 Bi2 O4 87.5(4) . .
O7 Bi2 O9 80.0(4) . .
O4 Bi2 O9 80.0(4) . .
O7 Bi2 O3 75.4(4) . .
O4 Bi2 O3 55.5(3) . .
O9 Bi2 O3 129.3(4) . .
O7 Bi2 O10 132.3(4) . .
O4 Bi2 O10 82.6(4) . .
O9 Bi2 O10 52.4(3) . .
O3 Bi2 O10 130.8(3) . .
O7 Bi2 O12 87.7(4) . 2_766
O4 Bi2 O12 129.5(3) . 2_766
O9 Bi2 O12 147.6(4) . 2_766
O3 Bi2 O12 74.7(3) . 2_766
O10 Bi2 O12 133.1(3) . 2_766
O7 Bi2 C12 81.8(4) . .
O4 Bi2 C12 27.8(4) . .
O9 Bi2 C12 105.7(4) . .
O3 Bi2 C12 27.8(4) . .
O10 Bi2 C12 106.6(4) . .
O12 Bi2 C12 102.0(4) 2_766 .
O7 Bi2 O8 51.1(4) . .
O4 Bi2 O8 132.3(4) . .
O9 Bi2 O8 71.2(4) . .
O3 Bi2 O8 120.0(4) . .
O10 Bi2 O8 106.8(4) . .
O12 Bi2 O8 77.7(3) 2_766 .
C12 Bi2 O8 132.9(4) . .
O7 Bi2 C24 25.9(4) . .
O4 Bi2 C24 108.6(4) . .
O9 Bi2 C24 70.0(4) . .
O3 Bi2 C24 99.9(4) . .
O10 Bi2 C24 118.7(4) . .
O12 Bi2 C24 85.9(4) 2_766 .
C12 Bi2 C24 107.5(4) . .
O8 Bi2 C24 25.8(4) . .
O7 Bi2 C25 106.2(4) . .
O4 Bi2 C25 80.5(4) . .
O9 Bi2 C25 26.3(4) . .
O3 Bi2 C25 136.0(4) . .
O10 Bi2 C25 26.1(3) . .
O12 Bi2 C25 148.2(4) 2_766 .
C12 Bi2 C25 108.2(4) . .
O8 Bi2 C25 88.8(4) . .
C24 Bi2 C25 94.5(4) . .
C7 Fe1 C9 67.3(8) . .
C7 Fe1 C6 40.4(6) . .
C9 Fe1 C6 69.0(7) . .
C7 Fe1 C8 39.4(7) . .
C9 Fe1 C8 40.2(8) . .
C6 Fe1 C8 67.8(6) . .
C7 Fe1 C2 119.9(8) . .
C9 Fe1 C2 121.5(7) . .
C6 Fe1 C2 155.9(7) . .
C8 Fe1 C2 105.2(7) . .
C7 Fe1 C3 154.3(9) . .
C9 Fe1 C3 105.2(8) . .
C6 Fe1 C3 162.3(8) . .
C8 Fe1 C3 119.1(8) . .
C2 Fe1 C3 41.4(7) . .
C7 Fe1 C5 129.4(7) . .
C9 Fe1 C5 155.5(9) . .
C6 Fe1 C5 110.9(6) . .
C8 Fe1 C5 164.0(8) . .
C2 Fe1 C5 69.1(7) . .
C3 Fe1 C5 67.2(7) . .
C7 Fe1 C4 165.2(8) . .
C9 Fe1 C4 122.0(9) . .
C6 Fe1 C4 128.7(8) . .
C8 Fe1 C4 155.1(8) . .
C2 Fe1 C4 66.9(8) . .
C3 Fe1 C4 39.3(8) . .
C5 Fe1 C4 37.8(7) . .
C7 Fe1 C1 109.6(7) . .
C9 Fe1 C1 159.8(8) . .
C6 Fe1 C1 122.6(6) . .
C8 Fe1 C1 124.7(8) . .
C2 Fe1 C1 41.1(6) . .
C3 Fe1 C1 68.5(7) . .
C5 Fe1 C1 41.4(7) . .
C4 Fe1 C1 65.9(7) . .
C7 Fe1 C10 66.9(7) . .
C9 Fe1 C10 40.2(7) . .
C6 Fe1 C10 40.9(6) . .
C8 Fe1 C10 66.9(7) . .
C2 Fe1 C10 159.4(6) . .
C3 Fe1 C10 124.2(7) . .
C5 Fe1 C10 123.4(7) . .
C4 Fe1 C10 111.7(8) . .
C1 Fe1 C10 158.9(7) . .
C13 Fe2 C16 68.2(7) . .
C13 Fe2 C22 110.7(7) . .
C16 Fe2 C22 153.8(7) . .
C13 Fe2 C18 122.6(6) . .
C16 Fe2 C18 162.3(7) . .
C22 Fe2 C18 40.7(6) . .
C13 Fe2 C17 41.2(6) . .
C16 Fe2 C17 40.8(7) . .
C22 Fe2 C17 120.7(7) . .
C18 Fe2 C17 156.5(6) . .
C13 Fe2 C14 40.6(6) . .
C16 Fe2 C14 67.1(8) . .
C22 Fe2 C14 130.3(8) . .
C18 Fe2 C14 110.9(7) . .
C17 Fe2 C14 68.4(7) . .
C13 Fe2 C21 126.8(7) . .
C16 Fe2 C21 119.5(8) . .
C22 Fe2 C21 38.6(7) . .
C18 Fe2 C21 67.2(7) . .
C17 Fe2 C21 107.1(7) . .
C14 Fe2 C21 165.0(8) . .
C13 Fe2 C20 162.8(8) . .
C16 Fe2 C20 105.4(9) . .
C22 Fe2 C20 67.5(8) . .
C18 Fe2 C20 68.1(8) . .
C17 Fe2 C20 123.7(9) . .
C14 Fe2 C20 153.3(8) . .
C21 Fe2 C20 41.2(8) . .
C13 Fe2 C19 155.6(7) . .
C16 Fe2 C19 124.3(7) . .
C22 Fe2 C19 68.0(7) . .
C18 Fe2 C19 40.2(7) . .
C17 Fe2 C19 161.3(7) . .
C14 Fe2 C19 120.4(7) . .
C21 Fe2 C19 68.5(7) . .
C20 Fe2 C19 41.1(8) . .
C13 Fe2 C15 67.4(7) . .
C16 Fe2 C15 38.9(7) . .
C22 Fe2 C15 166.9(7) . .
C18 Fe2 C15 128.3(8) . .
C17 Fe2 C15 67.2(8) . .
C14 Fe2 C15 39.9(7) . .
C21 Fe2 C15 153.1(8) . .
C20 Fe2 C15 118.4(8) . .
C19 Fe2 C15 108.0(7) . .
C32 Fe3 C26 129.1(5) . .
C32 Fe3 C27 168.1(5) . .
C26 Fe3 C27 40.1(6) . .
C32 Fe3 C33 40.5(5) . .
C26 Fe3 C33 168.1(6) . .
C27 Fe3 C33 151.0(6) . .
C32 Fe3 C29 117.8(5) . .
C26 Fe3 C29 69.2(5) . .
C27 Fe3 C29 66.3(6) . .
C33 Fe3 C29 109.0(6) . .
C32 Fe3 C28 151.5(6) . .
C26 Fe3 C28 67.8(5) . .
C27 Fe3 C28 38.5(5) . .
C33 Fe3 C28 119.0(6) . .
C29 Fe3 C28 40.4(5) . .
C32 Fe3 C31 42.1(5) . .
C26 Fe3 C31 106.4(5) . .
C27 Fe3 C31 129.1(6) . .
C33 Fe3 C31 69.2(6) . .
C29 Fe3 C31 151.6(6) . .
C28 Fe3 C31 165.7(6) . .
C32 Fe3 C30 107.7(6) . .
C26 Fe3 C30 41.9(5) . .
C27 Fe3 C30 67.5(6) . .
C33 Fe3 C30 129.2(6) . .
C29 Fe3 C30 41.0(5) . .
C28 Fe3 C30 68.3(6) . .
C31 Fe3 C30 116.8(6) . .
C32 Fe3 C35 69.1(6) . .
C26 Fe3 C35 115.1(6) . .
C27 Fe3 C35 109.1(6) . .
C33 Fe3 C35 69.1(6) . .
C29 Fe3 C35 167.9(6) . .
C28 Fe3 C35 129.2(6) . .
C31 Fe3 C35 40.0(5) . .
C30 Fe3 C35 149.3(6) . .
C32 Fe3 C34 67.2(5) . .
C26 Fe3 C34 149.4(6) . .
C27 Fe3 C34 119.6(6) . .
C33 Fe3 C34 40.3(5) . .
C29 Fe3 C34 131.0(6) . .
C28 Fe3 C34 110.9(6) . .
C31 Fe3 C34 67.0(6) . .
C30 Fe3 C34 168.4(6) . .
C35 Fe3 C34 40.3(6) . .
C11 O1 Bi1 85.6(9) . .
C11 O2 Bi1 97.7(9) . .
C12 O3 Bi2 83.9(9) . .
C12 O4 Bi2 97.7(9) . .
C23 O5 Bi1 98.9(8) . .
C23 O6 Bi1 87.3(8) . .
C23 O6 Bi1 156.5(9) . 2_766
Bi1 O6 Bi1 113.3(4) . 2_766
C24 O7 Bi2 105.0(8) . .
C24 O8 Bi2 80.5(9) . .
C25 O9 Bi2 101.5(9) . .
C25 O10 Bi2 84.6(8) . .
C36 O11 Bi1 100.0(8) . .
C36 O12 Bi1 85.1(8) . .
C36 O12 Bi2 151.7(9) . 2_766
Bi1 O12 Bi2 106.8(3) . 2_766
C2 C1 C5 106.9(16) . .
C2 C1 C11 127.3(17) . .
C5 C1 C11 125.6(14) . .
C2 C1 Fe1 68.8(9) . .
C5 C1 Fe1 69.3(9) . .
C11 C1 Fe1 123.6(11) . .
C1 C2 C3 106.3(18) . .
C1 C2 Fe1 70.0(9) . .
C3 C2 Fe1 69.4(10) . .
C4 C3 C2 106.4(16) . .
C4 C3 Fe1 70.8(10) . .
C2 C3 Fe1 69.2(10) . .
C5 C4 C3 113.6(19) . .
C5 C4 Fe1 71.1(11) . .
C3 C4 Fe1 69.9(11) . .
C4 C5 C1 106.7(17) . .
C4 C5 Fe1 71.1(11) . .
C1 C5 Fe1 69.4(10) . .
C7 C6 C10 105.5(15) . .
C7 C6 C12 130.2(14) . .
C10 C6 C12 124.3(14) . .
C7 C6 Fe1 69.3(9) . .
C10 C6 Fe1 70.8(9) . .
C12 C6 Fe1 124.2(10) . .
C8 C7 C6 110.4(17) . .
C8 C7 Fe1 70.9(11) . .
C6 C7 Fe1 70.3(9) . .
C7 C8 C9 108.5(17) . .
C7 C8 Fe1 69.7(10) . .
C9 C8 Fe1 69.5(11) . .
C8 C9 C10 107.4(16) . .
C8 C9 Fe1 70.2(10) . .
C10 C9 Fe1 71.5(9) . .
C9 C10 C6 107.9(17) . .
C9 C10 Fe1 68.3(9) . .
C6 C10 Fe1 68.2(8) . .
O1 C11 O2 121.7(15) . .
O1 C11 C1 119.6(14) . .
O2 C11 C1 118.7(14) . .
O1 C11 Bi1 66.9(9) . .
O2 C11 Bi1 54.8(8) . .
C1 C11 Bi1 172.4(11) . .
O3 C12 O4 122.6(15) . .
O3 C12 C6 119.4(14) . .
O4 C12 C6 118.0(13) . .
O3 C12 Bi2 68.3(8) . .
O4 C12 Bi2 54.6(7) . .
C6 C12 Bi2 170.2(10) . .
C14 C13 C17 109.0(15) . .
C14 C13 C23 125.6(15) . .
C17 C13 C23 125.3(13) . .
C14 C13 Fe2 71.7(9) . .
C17 C13 Fe2 71.3(9) . .
C23 C13 Fe2 123.7(9) . .
C13 C14 C15 107.2(17) . .
C13 C14 Fe2 67.8(9) . .
C15 C14 Fe2 71.4(10) . .
C16 C15 C14 108.2(16) . .
C16 C15 Fe2 68.0(10) . .
C14 C15 Fe2 68.8(9) . .
C15 C16 C17 110.4(17) . .
C15 C16 Fe2 73.1(11) . .
C17 C16 Fe2 70.7(10) . .
C16 C17 C13 104.9(15) . .
C16 C17 Fe2 68.5(10) . .
C13 C17 Fe2 67.5(8) . .
C19 C18 C22 108.2(16) . .
C19 C18 C24 125.7(16) . .
C22 C18 C24 125.9(15) . .
C19 C18 Fe2 71.1(11) . .
C22 C18 Fe2 68.9(10) . .
C24 C18 Fe2 128.9(11) . .
C18 C19 C20 106.6(16) . .
C18 C19 Fe2 68.7(10) . .
C20 C19 Fe2 69.1(11) . .
C21 C20 C19 106.4(17) . .
C21 C20 Fe2 69.0(10) . .
C19 C20 Fe2 69.7(10) . .
C22 C21 C20 108.6(16) . .
C22 C21 Fe2 69.5(10) . .
C20 C21 Fe2 69.9(10) . .
C21 C22 C18 110.2(17) . .
C21 C22 Fe2 71.9(11) . .
C18 C22 Fe2 70.3(10) . .
O6 C23 O5 119.6(13) . .
O6 C23 C13 123.4(12) . .
O5 C23 C13 116.8(12) . .
O6 C23 Bi1 65.9(8) . .
O5 C23 Bi1 53.7(7) . .
C13 C23 Bi1 170.1(9) . .
O8 C24 O7 120.7(14) . .
O8 C24 C18 121.5(15) . .
O7 C24 C18 117.6(13) . .
O8 C24 Bi2 73.7(9) . .
O7 C24 Bi2 49.0(7) . .
C18 C24 Bi2 156.5(11) . .
O10 C25 O9 121.5(13) . .
O10 C25 C26 123.4(13) . .
O9 C25 C26 115.1(12) . .
O10 C25 Bi2 69.3(8) . .
O9 C25 Bi2 52.2(7) . .
C26 C25 Bi2 167.3(10) . .
C27 C26 C25 130.6(12) . .
C27 C26 C30 105.7(12) . .
C25 C26 C30 123.3(12) . .
C27 C26 Fe3 70.3(8) . .
C25 C26 Fe3 118.2(10) . .
C30 C26 Fe3 70.3(7) . .
C28 C27 C26 112.5(13) . .
C28 C27 Fe3 71.6(9) . .
C26 C27 Fe3 69.6(8) . .
C27 C28 C29 107.9(12) . .
C27 C28 Fe3 69.9(8) . .
C29 C28 Fe3 69.8(8) . .
C28 C29 C30 107.9(12) . .
C28 C29 Fe3 69.9(8) . .
C30 C29 Fe3 69.8(7) . .
C29 C30 C26 105.9(12) . .
C29 C30 Fe3 69.2(7) . .
C26 C30 Fe3 67.8(7) . .
C35 C31 C32 107.7(12) . .
C35 C31 Fe3 71.2(8) . .
C32 C31 Fe3 67.3(7) . .
C33 C32 C31 108.9(12) . .
C33 C32 C36 125.2(12) . 1_454
C31 C32 C36 125.2(12) . 1_454
C33 C32 Fe3 71.3(8) . .
C31 C32 Fe3 70.6(7) . .
C36 C32 Fe3 116.7(8) 1_454 .
C32 C33 C34 106.6(12) . .
C32 C33 Fe3 68.2(7) . .
C34 C33 Fe3 71.3(8) . .
C33 C34 C35 110.1(12) . .
C33 C34 Fe3 68.4(7) . .
C35 C34 Fe3 69.7(7) . .
C31 C35 C34 106.6(13) . .
C31 C35 Fe3 68.9(8) . .
C34 C35 Fe3 70.1(8) . .
O12 C36 O11 121.8(13) . .
O12 C36 C32 120.1(12) . 1_656
O11 C36 C32 118.0(12) . 1_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 O2 2.213(10) .
Bi1 O5 2.276(10) .
Bi1 O11 2.287(9) .
Bi1 O1 2.475(11) .
Bi1 O6 2.552(10) .
Bi1 O12 2.619(10) .
Bi1 O6 2.636(11) 2_766
Bi1 C11 2.683(16) .
Bi1 C23 2.792(14) .
Bi2 O7 2.189(9) .
Bi2 O4 2.199(9) .
Bi2 O9 2.264(10) .
Bi2 O3 2.499(10) .
Bi2 O10 2.638(10) .
Bi2 O12 2.658(9) 2_766
Bi2 C12 2.675(16) .
Bi2 O8 2.724(13) .
Bi2 C24 2.800(15) .
Bi2 C25 2.808(13) .
Fe1 C7 2.002(18) .
Fe1 C9 2.008(16) .
Fe1 C6 2.015(14) .
Fe1 C8 2.017(18) .
Fe1 C2 2.022(17) .
Fe1 C3 2.025(17) .
Fe1 C5 2.036(17) .
Fe1 C4 2.037(18) .
Fe1 C1 2.038(15) .
Fe1 C10 2.050(16) .
Fe2 C13 1.988(15) .
Fe2 C16 2.008(18) .
Fe2 C22 2.008(17) .
Fe2 C18 2.026(17) .
Fe2 C17 2.037(16) .
Fe2 C14 2.038(16) .
Fe2 C21 2.038(17) .
Fe2 C20 2.050(19) .
Fe2 C19 2.058(18) .
Fe2 C15 2.072(15) .
Fe3 C32 2.002(13) .
Fe3 C26 2.015(13) .
Fe3 C27 2.024(14) .
Fe3 C33 2.042(13) .
Fe3 C29 2.042(13) .
Fe3 C28 2.044(14) .
Fe3 C31 2.047(13) .
Fe3 C30 2.049(13) .
Fe3 C35 2.077(14) .
Fe3 C34 2.082(13) .
O1 C11 1.244(18) .
O2 C11 1.250(16) .
O3 C12 1.255(18) .
O4 C12 1.258(18) .
O5 C23 1.304(15) .
O6 C23 1.258(16) .
O6 Bi1 2.636(11) 2_766
O7 C24 1.268(18) .
O8 C24 1.234(16) .
O9 C25 1.268(16) .
O10 C25 1.243(16) .
O11 C36 1.258(16) .
O12 C36 1.226(16) .
O12 Bi2 2.658(9) 2_766
C1 C2 1.43(2) .
C1 C5 1.44(2) .
C1 C11 1.48(2) .
C2 C3 1.43(3) .
C3 C4 1.36(3) .
C4 C5 1.32(2) .
C6 C7 1.39(2) .
C6 C10 1.42(2) .
C6 C12 1.53(2) .
C7 C8 1.35(2) .
C8 C9 1.38(3) .
C9 C10 1.40(2) .
C13 C14 1.40(2) .
C13 C17 1.42(2) .
C13 C23 1.48(2) .
C14 C15 1.40(2) .
C15 C16 1.36(2) .
C16 C17 1.41(2) .
C18 C19 1.40(2) .
C18 C22 1.40(2) .
C18 C24 1.48(2) .
C19 C20 1.44(3) .
C20 C21 1.44(3) .
C21 C22 1.34(3) .
C25 C26 1.452(18) .
C26 C27 1.385(19) .
C26 C30 1.453(18) .
C27 C28 1.340(19) .
C28 C29 1.41(2) .
C29 C30 1.433(19) .
C31 C35 1.41(2) .
C31 C32 1.455(18) .
C32 C33 1.399(18) .
C32 C36 1.513(18) 1_454
C33 C34 1.420(19) .
C34 C35 1.43(2) .
C36 C32 1.513(18) 1_656
