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#$Date: 2021-11-30 11:10:36 +0200 (Tue, 30 Nov 2021) $
#$Revision: 270930 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/54/1565437.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_1565437
loop_
_publ_author_name
'Villamizar C., Claudia P.'
'Anzaldo, Bertin'
'Sharma, Pankaj'
'Gutiérrez Pérez, Rene'
'del Río-Portilla, Federico'
'Toscano, Alfredo R.'
_publ_section_title
;
 Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses
 and molecular structures
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119353
_journal_paper_doi               10.1016/j.ica.2019.119353
_journal_volume                  502
_journal_year                    2020
_chemical_formula_sum            'C31 H27 Bi Fe N0 O2'
_chemical_formula_weight         696.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 107.2630(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.0691(7)
_cell_length_b                   8.5999(2)
_cell_length_c                   13.9287(4)
_cell_measurement_reflns_used    9539
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.54
_cell_volume                     2638.86(13)
_computing_cell_refinement       'APEX3 v2016.1 (Bruker, 2014)'
_computing_data_collection       'APEX3 v2016.1 (Bruker, 2014)'
_computing_data_reduction        'SAINT V8.37A  (Bruker, 2014)'
_computing_molecular_graphics
'Ortep-3 Ver 2.02 L.J. Farrugia (1997) J. Appl. Cryst. 30, 565'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2014 (Bruker, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 52.0833
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Bruker D8 Venture κ-geometry diffractometer 208039-01'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            27872
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.369
_diffrn_reflns_theta_min         2.542
_diffrn_source                   'micro-focus X-ray source'
_exptl_absorpt_coefficient_mu    7.235
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.461
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.022
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4840
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0110P)²+3.9697P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0597
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3676
_reflns_number_total             4840
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            366SHP18.cif
_cod_data_source_block           366SHP18
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1565437
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.135
_shelx_estimated_absorpt_t_max   0.857
_exptl_absorpt_special_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.20482(2) 0.49415(2) 0.31067(2) 0.04670(7) Uani 1 1 d . . . . .
Fe1 Fe 0.29081(3) 0.84988(7) 0.29062(4) 0.03614(15) Uani 1 1 d . . . . .
O1 O 0.37130(14) 0.4099(3) 0.2499(2) 0.0483(8) Uani 1 1 d . . . . .
C1 C 0.3173(2) 0.6459(5) 0.2444(3) 0.0401(10) Uani 1 1 d . . . . .
C6 C 0.3522(2) 0.9917(5) 0.3863(3) 0.0495(12) Uani 1 1 d . . . . .
H6 H 0.393715 1.011173 0.384720 0.059 Uiso 1 1 calc R U . . .
C7 C 0.3342(2) 0.8726(5) 0.4409(3) 0.0463(11) Uani 1 1 d . . . . .
H7 H 0.361004 0.795437 0.483898 0.056 Uiso 1 1 calc R U . . .
C2 C 0.2534(2) 0.6448(5) 0.2299(3) 0.0394(10) Uani 1 1 d . . . . .
C8 C 0.2709(2) 0.8844(5) 0.4229(3) 0.0482(12) Uani 1 1 d . . . . .
H8 H 0.245846 0.816650 0.450890 0.058 Uiso 1 1 calc R U . . .
C3 C 0.2276(2) 0.7708(5) 0.1644(3) 0.0453(11) Uani 1 1 d . . . . .
H3 H 0.184540 0.799755 0.141904 0.054 Uiso 1 1 calc R U . . .
C5 C 0.3303(2) 0.7716(5) 0.1863(3) 0.0444(11) Uani 1 1 d . . . . .
H5 H 0.370492 0.800954 0.181749 0.053 Uiso 1 1 calc R U . . .
C11 C 0.3639(2) 0.5412(5) 0.3098(3) 0.0455(12) Uani 1 1 d . . . . .
H11A H 0.402137 0.596081 0.335602 0.055 Uiso 1 1 calc R U . . .
H11B H 0.350951 0.506147 0.366405 0.055 Uiso 1 1 calc R U . . .
C13 C 0.4268(2) 0.1885(5) 0.2272(3) 0.0437(11) Uani 1 1 d . . . . .
C17 C 0.4546(2) 0.3199(5) 0.3886(4) 0.0488(12) Uani 1 1 d . . . . .
H17 H 0.447764 0.397964 0.430176 0.059 Uiso 1 1 calc R U . . .
C12 C 0.41779(19) 0.3081(5) 0.2904(3) 0.0403(11) Uani 1 1 d . . . . .
C16 C 0.5014(2) 0.2156(6) 0.4245(4) 0.0645(15) Uani 1 1 d . . . . .
H16 H 0.526182 0.224228 0.490515 0.077 Uiso 1 1 calc R U . . .
C18 C 0.3879(2) 0.1559(6) 0.1222(4) 0.0545(13) Uani 1 1 d . . . . .
C19 C 0.3322(3) 0.2449(6) 0.0742(4) 0.0689(16) Uani 1 1 d . . . . .
H19A H 0.312840 0.202902 0.008618 0.103 Uiso 1 1 calc R U . . .
H19B H 0.342434 0.351898 0.068038 0.103 Uiso 1 1 calc R U . . .
H19C H 0.305046 0.237843 0.114561 0.103 Uiso 1 1 calc R U . . .
C10 C 0.3006(2) 1.0779(6) 0.3342(4) 0.0535(13) Uani 1 1 d . . . . .
H10 H 0.299780 1.167847 0.290615 0.064 Uiso 1 1 calc R U . . .
C15 C 0.5121(2) 0.0993(7) 0.3645(5) 0.0707(16) Uani 1 1 d . . . . .
H15 H 0.543767 0.029515 0.389288 0.085 Uiso 1 1 calc R U . . .
C25 C 0.1243(3) 0.2243(6) 0.1825(4) 0.0695(16) Uani 1 1 d . . . . .
H25 H 0.112756 0.212487 0.240649 0.083 Uiso 1 1 calc R U . . .
C26 C 0.1215(2) 0.6459(6) 0.2775(4) 0.0552(13) Uani 1 1 d . . . . .
C27 C 0.0798(2) 0.6499(7) 0.1841(5) 0.0714(16) Uani 1 1 d . . . . .
H27 H 0.085720 0.588691 0.132846 0.086 Uiso 1 1 calc R U . . .
C28 C 0.0287(3) 0.7441(8) 0.1650(6) 0.095(2) Uani 1 1 d . . . . .
H28 H 0.000447 0.745422 0.101430 0.114 Uiso 1 1 calc R U . . .
C29 C 0.0202(4) 0.8357(9) 0.2409(8) 0.111(3) Uani 1 1 d . . . . .
H29 H -0.013718 0.899854 0.228312 0.134 Uiso 1 1 calc R U . . .
C30 C 0.0616(4) 0.8325(9) 0.3352(7) 0.114(3) Uani 1 1 d . . . . .
H30 H 0.055756 0.894235 0.386421 0.137 Uiso 1 1 calc R U . . .
C31 C 0.1119(3) 0.7368(7) 0.3534(5) 0.0846(19) Uani 1 1 d . . . . .
H31 H 0.139618 0.733581 0.417339 0.102 Uiso 1 1 calc R U . . .
C20 C 0.1639(2) 0.3398(5) 0.1770(4) 0.0514(12) Uani 1 1 d . . . . .
C21 C 0.1796(3) 0.3549(7) 0.0895(4) 0.0704(16) Uani 1 1 d . . . . .
H21 H 0.206483 0.432838 0.084407 0.084 Uiso 1 1 calc R U . . .
C22 C 0.1562(3) 0.2568(8) 0.0095(5) 0.094(2) Uani 1 1 d . . . . .
H22 H 0.166893 0.269959 -0.049319 0.113 Uiso 1 1 calc R U . . .
O2 O 0.4010(2) 0.0475(5) 0.0759(3) 0.0908(14) Uani 1 1 d . . . . .
C14 C 0.4756(2) 0.0878(6) 0.2682(4) 0.0598(14) Uani 1 1 d . . . . .
H14 H 0.483339 0.009343 0.227752 0.072 Uiso 1 1 calc R U . . .
C23 C 0.1178(3) 0.1413(8) 0.0159(6) 0.089(2) Uani 1 1 d . . . . .
H23 H 0.102797 0.073805 -0.037973 0.106 Uiso 1 1 calc R U . . .
C24 C 0.1009(3) 0.1236(7) 0.1011(6) 0.086(2) Uani 1 1 d . . . . .
H24 H 0.074060 0.045087 0.105174 0.103 Uiso 1 1 calc R U . . .
C9 C 0.2499(2) 1.0106(6) 0.3568(4) 0.0539(13) Uani 1 1 d . . . . .
H9 H 0.207757 1.045827 0.331087 0.065 Uiso 1 1 calc R U . . .
C4 C 0.2750(2) 0.8469(5) 0.1382(3) 0.0463(11) Uani 1 1 d . . . . .
H4 H 0.270330 0.938821 0.094958 0.056 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 '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
C2 Bi1 C20 94.35(16) . .
C2 Bi1 C26 94.93(17) . .
C20 Bi1 C26 92.80(18) . .
C1 Fe1 C2 41.20(17) . .
C1 Fe1 C6 120.70(19) . .
C2 Fe1 C6 156.67(18) . .
C1 Fe1 C3 69.09(18) . .
C2 Fe1 C3 41.03(16) . .
C6 Fe1 C3 160.78(19) . .
C1 Fe1 C9 162.6(2) . .
C2 Fe1 C9 125.4(2) . .
C6 Fe1 C9 67.9(2) . .
C3 Fe1 C9 107.9(2) . .
C1 Fe1 C7 107.82(18) . .
C2 Fe1 C7 121.80(18) . .
C6 Fe1 C7 40.41(17) . .
C3 Fe1 C7 157.27(19) . .
C9 Fe1 C7 67.95(19) . .
C1 Fe1 C5 41.29(16) . .
C2 Fe1 C5 69.10(17) . .
C6 Fe1 C5 107.00(19) . .
C3 Fe1 C5 68.50(19) . .
C9 Fe1 C5 155.08(19) . .
C7 Fe1 C5 124.94(19) . .
C1 Fe1 C10 155.23(19) . .
C2 Fe1 C10 161.9(2) . .
C6 Fe1 C10 40.32(19) . .
C3 Fe1 C10 124.3(2) . .
C9 Fe1 C10 40.68(19) . .
C7 Fe1 C10 68.1(2) . .
C5 Fe1 C10 119.54(19) . .
C1 Fe1 C4 68.69(17) . .
C2 Fe1 C4 68.56(17) . .
C6 Fe1 C4 124.22(19) . .
C3 Fe1 C4 40.46(17) . .
C9 Fe1 C4 120.89(19) . .
C7 Fe1 C4 161.20(19) . .
C5 Fe1 C4 40.36(17) . .
C10 Fe1 C4 106.86(19) . .
C1 Fe1 C8 125.53(18) . .
C2 Fe1 C8 108.59(18) . .
C6 Fe1 C8 67.80(19) . .
C3 Fe1 C8 121.99(19) . .
C9 Fe1 C8 40.42(18) . .
C7 Fe1 C8 40.33(18) . .
C5 Fe1 C8 162.38(19) . .
C10 Fe1 C8 68.19(19) . .
C4 Fe1 C8 156.5(2) . .
C12 O1 C11 118.3(3) . .
C2 C1 C5 107.8(4) . .
C2 C1 C11 127.6(4) . .
C5 C1 C11 124.5(4) . .
C2 C1 Fe1 69.8(2) . .
C5 C1 Fe1 70.1(2) . .
C11 C1 Fe1 124.1(3) . .
C10 C6 C7 108.8(4) . .
C10 C6 Fe1 70.2(3) . .
C7 C6 Fe1 70.1(3) . .
C6 C7 C8 107.8(4) . .
C6 C7 Fe1 69.5(3) . .
C8 C7 Fe1 70.0(2) . .
C1 C2 C3 107.6(4) . .
C1 C2 Fe1 69.0(2) . .
C3 C2 Fe1 69.7(2) . .
C1 C2 Bi1 125.9(3) . .
C3 C2 Bi1 126.0(3) . .
Fe1 C2 Bi1 120.70(19) . .
C7 C8 C9 107.9(4) . .
C7 C8 Fe1 69.7(2) . .
C9 C8 Fe1 69.5(3) . .
C4 C3 C2 108.0(4) . .
C4 C3 Fe1 70.0(2) . .
C2 C3 Fe1 69.2(2) . .
C4 C5 C1 107.6(4) . .
C4 C5 Fe1 69.8(2) . .
C1 C5 Fe1 68.6(2) . .
O1 C11 C1 107.9(4) . .
C14 C13 C12 116.5(4) . .
C14 C13 C18 117.3(4) . .
C12 C13 C18 126.1(4) . .
C16 C17 C12 119.7(5) . .
O1 C12 C17 122.4(4) . .
O1 C12 C13 116.9(4) . .
C17 C12 C13 120.7(4) . .
C15 C16 C17 121.0(5) . .
O2 C18 C19 118.3(5) . .
O2 C18 C13 119.2(5) . .
C19 C18 C13 122.4(4) . .
C6 C10 C9 107.2(4) . .
C6 C10 Fe1 69.5(3) . .
C9 C10 Fe1 69.5(3) . .
C14 C15 C16 119.0(5) . .
C20 C25 C24 120.4(6) . .
C27 C26 C31 119.0(5) . .
C27 C26 Bi1 121.7(4) . .
C31 C26 Bi1 119.3(4) . .
C26 C27 C28 121.0(6) . .
C29 C28 C27 119.4(7) . .
C30 C29 C28 120.3(7) . .
C29 C30 C31 119.5(7) . .
C30 C31 C26 120.8(7) . .
C25 C20 C21 118.3(5) . .
C25 C20 Bi1 120.3(4) . .
C21 C20 Bi1 121.3(4) . .
C22 C21 C20 121.1(6) . .
C23 C22 C21 120.4(7) . .
C15 C14 C13 123.0(5) . .
C22 C23 C24 120.1(6) . .
C23 C24 C25 119.7(6) . .
C8 C9 C10 108.2(4) . .
C8 C9 Fe1 70.1(2) . .
C10 C9 Fe1 69.8(3) . .
C5 C4 C3 109.0(4) . .
C5 C4 Fe1 69.8(2) . .
C3 C4 Fe1 69.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 C2 2.224(4) .
Bi1 C20 2.253(5) .
Bi1 C26 2.255(5) .
Fe1 C1 2.024(4) .
Fe1 C2 2.034(4) .
Fe1 C6 2.037(5) .
Fe1 C3 2.040(4) .
Fe1 C9 2.041(4) .
Fe1 C7 2.044(4) .
Fe1 C5 2.045(4) .
Fe1 C10 2.045(5) .
Fe1 C4 2.045(4) .
Fe1 C8 2.048(4) .
O1 C12 1.370(5) .
O1 C11 1.444(5) .
C1 C2 1.428(6) .
C1 C5 1.435(6) .
C1 C11 1.489(6) .
C6 C10 1.407(7) .
C6 C7 1.409(6) .
C7 C8 1.411(6) .
C2 C3 1.428(6) .
C8 C9 1.412(6) .
C3 C4 1.413(6) .
C5 C4 1.411(6) .
C13 C14 1.400(6) .
C13 C12 1.409(6) .
C13 C18 1.498(7) .
C17 C16 1.380(6) .
C17 C12 1.382(6) .
C16 C15 1.371(7) .
C18 O2 1.222(6) .
C18 C19 1.475(7) .
C10 C9 1.420(7) .
C15 C14 1.359(7) .
C25 C20 1.367(7) .
C25 C24 1.401(8) .
C26 C27 1.369(7) .
C26 C31 1.385(7) .
C27 C28 1.389(8) .
C28 C29 1.378(10) .
C29 C30 1.377(10) .
C30 C31 1.384(9) .
C20 C21 1.377(7) .
C21 C22 1.373(8) .
C22 C23 1.352(9) .
C23 C24 1.362(9) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C10 C6 C7 C8 -0.1(5) . . . .
Fe1 C6 C7 C8 -59.7(3) . . . .
C10 C6 C7 Fe1 59.7(3) . . . .
C5 C1 C2 C3 -0.8(5) . . . .
C11 C1 C2 C3 177.3(4) . . . .
Fe1 C1 C2 C3 59.3(3) . . . .
C5 C1 C2 Fe1 -60.1(3) . . . .
C11 C1 C2 Fe1 118.1(4) . . . .
C5 C1 C2 Bi1 -173.5(3) . . . .
C11 C1 C2 Bi1 4.6(6) . . . .
Fe1 C1 C2 Bi1 -113.4(3) . . . .
C6 C7 C8 C9 0.2(5) . . . .
Fe1 C7 C8 C9 -59.2(3) . . . .
C6 C7 C8 Fe1 59.4(3) . . . .
C1 C2 C3 C4 0.6(5) . . . .
Fe1 C2 C3 C4 59.5(3) . . . .
Bi1 C2 C3 C4 173.3(3) . . . .
C1 C2 C3 Fe1 -58.8(3) . . . .
Bi1 C2 C3 Fe1 113.8(3) . . . .
C2 C1 C5 C4 0.7(5) . . . .
C11 C1 C5 C4 -177.5(4) . . . .
Fe1 C1 C5 C4 -59.2(3) . . . .
C2 C1 C5 Fe1 59.8(3) . . . .
C11 C1 C5 Fe1 -118.4(4) . . . .
C12 O1 C11 C1 171.3(4) . . . .
C2 C1 C11 O1 91.5(5) . . . .
C5 C1 C11 O1 -90.7(5) . . . .
Fe1 C1 C11 O1 -178.8(3) . . . .
C11 O1 C12 C17 5.1(6) . . . .
C11 O1 C12 C13 -175.0(4) . . . .
C16 C17 C12 O1 -178.8(4) . . . .
C16 C17 C12 C13 1.3(7) . . . .
C14 C13 C12 O1 178.1(4) . . . .
C18 C13 C12 O1 -4.3(6) . . . .
C14 C13 C12 C17 -2.0(6) . . . .
C18 C13 C12 C17 175.6(4) . . . .
C12 C17 C16 C15 -0.3(8) . . . .
C14 C13 C18 O2 -2.2(7) . . . .
C12 C13 C18 O2 -179.8(5) . . . .
C14 C13 C18 C19 174.4(5) . . . .
C12 C13 C18 C19 -3.1(7) . . . .
C7 C6 C10 C9 -0.1(5) . . . .
Fe1 C6 C10 C9 59.5(3) . . . .
C7 C6 C10 Fe1 -59.6(3) . . . .
C17 C16 C15 C14 -0.1(9) . . . .
C31 C26 C27 C28 0.4(8) . . . .
Bi1 C26 C27 C28 -180.0(4) . . . .
C26 C27 C28 C29 0.5(10) . . . .
C27 C28 C29 C30 -0.7(12) . . . .
C28 C29 C30 C31 0.1(12) . . . .
C29 C30 C31 C26 0.8(11) . . . .
C27 C26 C31 C30 -1.1(9) . . . .
Bi1 C26 C31 C30 179.3(5) . . . .
C24 C25 C20 C21 0.6(8) . . . .
C24 C25 C20 Bi1 -177.1(4) . . . .
C25 C20 C21 C22 0.0(8) . . . .
Bi1 C20 C21 C22 177.6(5) . . . .
C20 C21 C22 C23 -1.0(10) . . . .
C16 C15 C14 C13 -0.7(9) . . . .
C12 C13 C14 C15 1.7(7) . . . .
C18 C13 C14 C15 -176.1(5) . . . .
C21 C22 C23 C24 1.4(11) . . . .
C22 C23 C24 C25 -0.9(10) . . . .
C20 C25 C24 C23 -0.1(9) . . . .
C7 C8 C9 C10 -0.3(5) . . . .
Fe1 C8 C9 C10 -59.6(3) . . . .
C7 C8 C9 Fe1 59.3(3) . . . .
C6 C10 C9 C8 0.3(5) . . . .
Fe1 C10 C9 C8 59.8(3) . . . .
C6 C10 C9 Fe1 -59.5(3) . . . .
C1 C5 C4 C3 -0.3(5) . . . .
Fe1 C5 C4 C3 -58.6(3) . . . .
C1 C5 C4 Fe1 58.4(3) . . . .
C2 C3 C4 C5 -0.2(5) . . . .
Fe1 C3 C4 C5 58.8(3) . . . .
C2 C3 C4 Fe1 -59.0(3) . . . .
