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#$Date: 2023-05-05 04:51:52 +0300 (Fri, 05 May 2023) $
#$Revision: 283261 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/19/7711949.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_7711949
loop_
_publ_author_name
'Schulz, Jiří'
'Antala, Jakub'
'Císařová, Ivana'
'Štěpnička, Petr'
_publ_section_title
;
 Beyond phosphorus: synthesis, reactivity, coordination behaviour and
 catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1198
_journal_page_last               1211
_journal_paper_doi               10.1039/d2dt03770j
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C34 H28 F2 Fe Sb2'
_chemical_formula_sum            'C34 H28 F2 Fe Sb2'
_chemical_formula_weight         773.91
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2022-11-11 deposited with the CCDC.	2022-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.473(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.0025(8)
_cell_length_b                   9.1706(5)
_cell_length_c                   19.5817(10)
_cell_measurement_reflns_used    9186
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.98
_cell_measurement_theta_min      2.47
_cell_volume                     2942.6(3)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.15'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_molecular_graphics    'PLATON (Spek, 2017)'
_computing_publication_material  'PLATON (Spek, 2017)'
_computing_structure_refinement  'SHELXL-2017 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2018 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Quazar Mo multilayer optic'
_diffrn_radiation_source         'I\mS micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0100
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            176557
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.021
_diffrn_reflns_theta_min         2.184
_exptl_absorpt_coefficient_mu    2.344
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_description       prism
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.804
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         8589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0199
_refine_ls_R_factor_gt           0.0183
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0171P)²+2.9537P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0457
_refine_ls_wR_factor_ref         0.0467
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8124
_reflns_number_total             8589
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03770j3.cif
_cod_data_source_block           ja55
_cod_depositor_comments
'Adding full bibliography for 7711945--7711966.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7711949
_shelx_shelxl_version_number     2017/1
_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   0.664
_shelx_estimated_absorpt_t_max   0.835
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
Fe1 Fe 0.78655(2) 0.40428(2) 0.42442(2) 0.01735(4) Uani 1 1 d . . . . .
Sb1 Sb 0.79360(2) 0.27159(2) 0.60167(2) 0.01940(3) Uani 1 1 d . . . . .
Sb2 Sb 0.71585(2) 0.76476(2) 0.46185(2) 0.02095(3) Uani 1 1 d . . . . .
F1 F 0.72603(6) 0.12146(11) 0.54276(5) 0.0281(2) Uani 1 1 d . . . . .
F2 F 0.86346(6) 0.42340(11) 0.66039(5) 0.02512(19) Uani 1 1 d . . . . .
C1 C 0.84626(9) 0.32320(16) 0.52126(8) 0.0192(3) Uani 1 1 d . . . . .
C2 C 0.87965(9) 0.46208(17) 0.51081(8) 0.0198(3) Uani 1 1 d . . . . .
H2 H 0.881778 0.545936 0.539732 0.024 Uiso 1 1 calc R U . . .
C3 C 0.90906(9) 0.45229(18) 0.44950(9) 0.0227(3) Uani 1 1 d . . . . .
H3 H 0.933936 0.528695 0.429968 0.027 Uiso 1 1 calc R U . . .
C4 C 0.89466(10) 0.30795(18) 0.42256(9) 0.0248(3) Uani 1 1 d . . . . .
H4 H 0.909103 0.271226 0.382177 0.030 Uiso 1 1 calc R U . . .
C5 C 0.85510(10) 0.22754(17) 0.46594(8) 0.0222(3) Uani 1 1 d . . . . .
H5 H 0.837771 0.128822 0.459452 0.027 Uiso 1 1 calc R U . . .
C6 C 0.70116(9) 0.56831(17) 0.40163(8) 0.0217(3) Uani 1 1 d . . . . .
C7 C 0.73090(10) 0.53607(18) 0.34151(8) 0.0240(3) Uani 1 1 d . . . . .
H7 H 0.757229 0.603100 0.317895 0.029 Uiso 1 1 calc R U . . .
C8 C 0.71449(11) 0.3867(2) 0.32288(9) 0.0278(3) Uani 1 1 d . . . . .
H8 H 0.727718 0.337417 0.284719 0.033 Uiso 1 1 calc R U . . .
C9 C 0.67480(10) 0.32401(19) 0.37141(9) 0.0284(3) Uani 1 1 d . . . . .
H9 H 0.657202 0.225733 0.371617 0.034 Uiso 1 1 calc R U . . .
C10 C 0.66633(9) 0.43561(18) 0.41955(9) 0.0242(3) Uani 1 1 d . . . . .
H10 H 0.641637 0.424159 0.457395 0.029 Uiso 1 1 calc R U . . .
C11 C 0.84887(10) 0.11032(19) 0.67524(9) 0.0250(3) Uani 1 1 d . . . . .
C12 C 0.91143(11) 0.1484(2) 0.73422(9) 0.0276(3) Uani 1 1 d . . . . .
H12 H 0.927359 0.247558 0.742412 0.033 Uiso 1 1 calc R U . . .
C13 C 0.95061(12) 0.0411(2) 0.78118(10) 0.0342(4) Uani 1 1 d . . . . .
H13 H 0.993914 0.066880 0.821124 0.041 Uiso 1 1 calc R U . . .
C14 C 0.92707(14) -0.1020(2) 0.77015(11) 0.0404(5) Uani 1 1 d . . . . .
H14 H 0.953491 -0.174589 0.802881 0.048 Uiso 1 1 calc R U . . .
C15 C 0.86586(16) -0.1403(2) 0.71234(13) 0.0477(5) Uani 1 1 d . . . . .
H15 H 0.850250 -0.239701 0.705003 0.057 Uiso 1 1 calc R U . . .
C16 C 0.82578(14) -0.0352(2) 0.66375(11) 0.0390(4) Uani 1 1 d . . . . .
H16 H 0.783380 -0.062641 0.623442 0.047 Uiso 1 1 calc R U . . .
C17 C 0.69009(10) 0.38540(19) 0.61095(9) 0.0249(3) Uani 1 1 d . . . . .
C18 C 0.61253(12) 0.3235(3) 0.58781(13) 0.0414(5) Uani 1 1 d . . . . .
H18 H 0.606127 0.226716 0.569840 0.050 Uiso 1 1 calc R U . . .
C19 C 0.54488(13) 0.4047(3) 0.59132(16) 0.0522(6) Uani 1 1 d . . . . .
H19 H 0.491934 0.363271 0.575397 0.063 Uiso 1 1 calc R U . . .
C20 C 0.55361(13) 0.5449(3) 0.61763(13) 0.0486(6) Uani 1 1 d . . . . .
H20 H 0.506926 0.598991 0.620496 0.058 Uiso 1 1 calc R U . . .
C21 C 0.63025(14) 0.6068(3) 0.63981(14) 0.0503(6) Uani 1 1 d . . . . .
H21 H 0.636267 0.703660 0.657598 0.060 Uiso 1 1 calc R U . . .
C22 C 0.69856(12) 0.5273(2) 0.63613(11) 0.0384(4) Uani 1 1 d . . . . .
H22 H 0.751200 0.570394 0.650909 0.046 Uiso 1 1 calc R U . . .
C23 C 0.60849(10) 0.87187(18) 0.39786(9) 0.0244(3) Uani 1 1 d . . . . .
C24 C 0.57172(11) 0.9777(2) 0.42995(10) 0.0304(4) Uani 1 1 d . . . . .
H24 H 0.596645 1.005565 0.477526 0.036 Uiso 1 1 calc R U . . .
C25 C 0.49887(12) 1.0430(2) 0.39317(12) 0.0376(4) Uani 1 1 d . . . . .
H25 H 0.474148 1.114775 0.415684 0.045 Uiso 1 1 calc R U . . .
C26 C 0.46246(12) 1.0033(3) 0.32363(12) 0.0406(5) Uani 1 1 d . . . . .
H26 H 0.412959 1.048239 0.298228 0.049 Uiso 1 1 calc R U . . .
C27 C 0.49829(13) 0.8982(3) 0.29138(11) 0.0454(5) Uani 1 1 d . . . . .
H27 H 0.473202 0.870576 0.243791 0.055 Uiso 1 1 calc R U . . .
C28 C 0.57121(12) 0.8325(3) 0.32836(10) 0.0364(4) Uani 1 1 d . . . . .
H28 H 0.595495 0.760196 0.305789 0.044 Uiso 1 1 calc R U . . .
C29 C 0.80447(10) 0.85371(17) 0.41293(8) 0.0221(3) Uani 1 1 d . . . . .
C30 C 0.78417(11) 0.92379(19) 0.34735(9) 0.0271(3) Uani 1 1 d . . . . .
H30 H 0.728462 0.934811 0.322055 0.033 Uiso 1 1 calc R U . . .
C31 C 0.84495(12) 0.9777(2) 0.31872(10) 0.0322(4) Uani 1 1 d . . . . .
H31 H 0.830440 1.025044 0.273966 0.039 Uiso 1 1 calc R U . . .
C32 C 0.92650(12) 0.9627(2) 0.35500(11) 0.0328(4) Uani 1 1 d . . . . .
H32 H 0.967753 0.999411 0.335109 0.039 Uiso 1 1 calc R U . . .
C33 C 0.94762(11) 0.89410(19) 0.42037(11) 0.0317(4) Uani 1 1 d . . . . .
H33 H 1.003448 0.883613 0.445438 0.038 Uiso 1 1 calc R U . . .
C34 C 0.88693(10) 0.84047(17) 0.44934(9) 0.0255(3) Uani 1 1 d . . . . .
H34 H 0.901759 0.794315 0.494393 0.031 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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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
C5 Fe1 C1 41.19(6) . . ?
C5 Fe1 C10 126.19(7) . . ?
C1 Fe1 C10 109.81(6) . . ?
C5 Fe1 C7 152.05(7) . . ?
C1 Fe1 C7 164.96(6) . . ?
C10 Fe1 C7 68.52(7) . . ?
C5 Fe1 C9 105.77(7) . . ?
C1 Fe1 C9 120.40(7) . . ?
C10 Fe1 C9 40.82(7) . . ?
C7 Fe1 C9 68.82(7) . . ?
C5 Fe1 C8 117.15(7) . . ?
C1 Fe1 C8 153.71(7) . . ?
C10 Fe1 C8 68.46(7) . . ?
C7 Fe1 C8 40.84(7) . . ?
C9 Fe1 C8 40.79(7) . . ?
C5 Fe1 C4 40.77(7) . . ?
C1 Fe1 C4 68.44(6) . . ?
C10 Fe1 C4 162.19(7) . . ?
C7 Fe1 C4 117.95(7) . . ?
C9 Fe1 C4 123.55(7) . . ?
C8 Fe1 C4 104.86(7) . . ?
C5 Fe1 C2 69.09(6) . . ?
C1 Fe1 C2 40.94(6) . . ?
C10 Fe1 C2 122.97(7) . . ?
C7 Fe1 C2 126.42(6) . . ?
C9 Fe1 C2 156.77(7) . . ?
C8 Fe1 C2 162.07(7) . . ?
C4 Fe1 C2 68.16(6) . . ?
C5 Fe1 C6 164.97(7) . . ?
C1 Fe1 C6 128.08(6) . . ?
C10 Fe1 C6 41.08(6) . . ?
C7 Fe1 C6 40.87(6) . . ?
C9 Fe1 C6 69.28(7) . . ?
C8 Fe1 C6 68.98(7) . . ?
C4 Fe1 C6 153.77(7) . . ?
C2 Fe1 C6 109.54(6) . . ?
C5 Fe1 C3 68.86(7) . . ?
C1 Fe1 C3 68.56(6) . . ?
C10 Fe1 C3 156.80(7) . . ?
C7 Fe1 C3 106.75(7) . . ?
C9 Fe1 C3 160.68(7) . . ?
C8 Fe1 C3 123.73(7) . . ?
C4 Fe1 C3 40.53(7) . . ?
C2 Fe1 C3 40.46(6) . . ?
C6 Fe1 C3 120.47(6) . . ?
F1 Sb1 F2 179.01(4) . . ?
F1 Sb1 C1 91.00(5) . . ?
F2 Sb1 C1 88.09(5) . . ?
F1 Sb1 C17 91.54(6) . . ?
F2 Sb1 C17 89.26(6) . . ?
C1 Sb1 C17 119.83(6) . . ?
F1 Sb1 C11 89.65(6) . . ?
F2 Sb1 C11 90.43(6) . . ?
C1 Sb1 C11 118.58(6) . . ?
C17 Sb1 C11 121.54(6) . . ?
C6 Sb2 C29 93.83(6) . . ?
C6 Sb2 C23 96.17(6) . . ?
C29 Sb2 C23 98.83(6) . . ?
C2 C1 C5 108.14(13) . . ?
C2 C1 Fe1 70.15(8) . . ?
C5 C1 Fe1 69.30(9) . . ?
C2 C1 Sb1 125.64(11) . . ?
C5 C1 Sb1 126.22(11) . . ?
Fe1 C1 Sb1 125.73(7) . . ?
C3 C2 C1 107.87(13) . . ?
C3 C2 Fe1 69.84(9) . . ?
C1 C2 Fe1 68.91(8) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Fe1 C2 H2 126.7 . . ?
C2 C3 C4 107.92(14) . . ?
C2 C3 Fe1 69.70(9) . . ?
C4 C3 Fe1 69.44(9) . . ?
C2 C3 H3 126.0 . . ?
C4 C3 H3 126.0 . . ?
Fe1 C3 H3 126.4 . . ?
C3 C4 C5 108.85(14) . . ?
C3 C4 Fe1 70.02(9) . . ?
C5 C4 Fe1 69.11(9) . . ?
C3 C4 H4 125.6 . . ?
C5 C4 H4 125.6 . . ?
Fe1 C4 H4 126.9 . . ?
C4 C5 C1 107.21(14) . . ?
C4 C5 Fe1 70.12(9) . . ?
C1 C5 Fe1 69.51(8) . . ?
C4 C5 H5 126.4 . . ?
C1 C5 H5 126.4 . . ?
Fe1 C5 H5 125.6 . . ?
C7 C6 C10 106.56(14) . . ?
C7 C6 Fe1 69.09(9) . . ?
C10 C6 Fe1 68.93(9) . . ?
C7 C6 Sb2 127.96(12) . . ?
C10 C6 Sb2 125.16(12) . . ?
Fe1 C6 Sb2 121.79(7) . . ?
C8 C7 C6 108.72(15) . . ?
C8 C7 Fe1 69.66(9) . . ?
C6 C7 Fe1 70.04(9) . . ?
C8 C7 H7 125.6 . . ?
C6 C7 H7 125.6 . . ?
Fe1 C7 H7 126.2 . . ?
C9 C8 C7 108.17(15) . . ?
C9 C8 Fe1 69.57(9) . . ?
C7 C8 Fe1 69.50(9) . . ?
C9 C8 H8 125.9 . . ?
C7 C8 H8 125.9 . . ?
Fe1 C8 H8 126.6 . . ?
C10 C9 C8 107.53(15) . . ?
C10 C9 Fe1 69.49(9) . . ?
C8 C9 Fe1 69.64(9) . . ?
C10 C9 H9 126.2 . . ?
C8 C9 H9 126.2 . . ?
Fe1 C9 H9 126.2 . . ?
C9 C10 C6 109.01(15) . . ?
C9 C10 Fe1 69.69(9) . . ?
C6 C10 Fe1 69.99(9) . . ?
C9 C10 H10 125.5 . . ?
C6 C10 H10 125.5 . . ?
Fe1 C10 H10 126.4 . . ?
C12 C11 C16 119.70(16) . . ?
C12 C11 Sb1 119.70(13) . . ?
C16 C11 Sb1 120.54(13) . . ?
C11 C12 C13 119.82(18) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C12 120.32(19) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C15 C14 C13 120.20(18) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 120.9(2) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C11 C16 C15 119.1(2) . . ?
C11 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C22 C17 C18 119.83(17) . . ?
C22 C17 Sb1 119.26(13) . . ?
C18 C17 Sb1 120.78(15) . . ?
C19 C18 C17 119.3(2) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C20 C19 C18 120.8(2) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C21 119.9(2) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C22 120.0(2) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C17 C22 C21 120.1(2) . . ?
C17 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C28 C23 C24 118.80(16) . . ?
C28 C23 Sb2 123.10(13) . . ?
C24 C23 Sb2 117.90(12) . . ?
C25 C24 C23 120.79(18) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C24 119.84(19) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C27 C26 C25 119.84(18) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 120.27(19) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C23 C28 C27 120.46(19) . . ?
C23 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C30 C29 C34 118.53(16) . . ?
C30 C29 Sb2 123.67(12) . . ?
C34 C29 Sb2 117.80(12) . . ?
C31 C30 C29 120.45(17) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C32 C31 C30 120.50(17) . . ?
C32 C31 H31 119.7 . . ?
C30 C31 H31 119.7 . . ?
C33 C32 C31 119.73(17) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C32 C33 C34 119.94(17) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C29 120.84(16) . . ?
C33 C34 H34 119.6 . . ?
C29 C34 H34 119.6 . . ?
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
Fe1 C5 2.0349(15) . ?
Fe1 C1 2.0377(15) . ?
Fe1 C10 2.0411(16) . ?
Fe1 C7 2.0426(15) . ?
Fe1 C9 2.0439(16) . ?
Fe1 C8 2.0448(16) . ?
Fe1 C4 2.0484(16) . ?
Fe1 C2 2.0541(15) . ?
Fe1 C6 2.0553(15) . ?
Fe1 C3 2.0561(15) . ?
Sb1 F1 1.9593(10) . ?
Sb1 F2 1.9856(10) . ?
Sb1 C1 2.0634(15) . ?
Sb1 C17 2.0953(16) . ?
Sb1 C11 2.1032(16) . ?
Sb2 C6 2.1311(16) . ?
Sb2 C29 2.1501(16) . ?
Sb2 C23 2.1556(16) . ?
C1 C2 1.431(2) . ?
C1 C5 1.433(2) . ?
C2 C3 1.421(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.422(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.422(2) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.431(2) . ?
C6 C10 1.437(2) . ?
C7 C8 1.426(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.425(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.425(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.390(2) . ?
C11 C16 1.392(3) . ?
C12 C13 1.390(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.372(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.364(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.397(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.386(3) . ?
C17 C18 1.396(3) . ?
C18 C19 1.388(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.378(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.381(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.389(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.387(2) . ?
C23 C24 1.392(2) . ?
C24 C25 1.392(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.379(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.395(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.395(2) . ?
C29 C34 1.398(2) . ?
C30 C31 1.391(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.386(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.385(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.393(3) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
