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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/7/71/19/7711945.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_7711945
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 Cl2 Fe O Sb2'
_chemical_formula_sum            'C34 H28 Cl2 Fe O Sb2'
_chemical_formula_weight         822.81
_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                 105.7320(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8290(3)
_cell_length_b                   29.3646(12)
_cell_length_c                   12.1854(5)
_cell_measurement_reflns_used    9696
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.71
_cell_volume                     3040.8(2)
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'PLATON (Spek, 2017)'
_computing_publication_material  'PLATON (Spek, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo with PHOTON 1000'
_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  0.0243
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            36589
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_min         1.870
_exptl_absorpt_coefficient_mu    2.437
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_description       prism
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.491
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.491
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0349
_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)+12.2300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0834
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6710
_reflns_number_total             6967
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03770j3.cif
_cod_data_source_block           ja25e
_cod_depositor_comments
'Adding full bibliography for 7711945--7711966.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7711945
_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   0.655
_shelx_estimated_absorpt_t_max   0.888
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 0.17861(7) 0.42917(2) 0.16383(5) 0.01611(13) Uani 1 1 d . . . . .
Sb1 Sb 0.55411(3) 0.39556(2) 0.15900(2) 0.01570(7) Uani 1 1 d . . . . .
Sb2 Sb 0.38014(4) 0.35594(2) 0.39235(3) 0.02200(8) Uani 1 1 d . . . . .
Cl1 Cl 0.61750(13) 0.43671(4) -0.00871(9) 0.0238(2) Uani 1 1 d . . . . .
Cl2 Cl 0.1859(2) 0.35071(6) 0.51394(14) 0.0514(4) Uani 1 1 d . . . . .
O1 O 0.5200(4) 0.36219(10) 0.2904(3) 0.0227(7) Uani 1 1 d . . . . .
C1 C 0.3162(5) 0.40264(15) 0.0724(4) 0.0180(8) Uani 1 1 d . . . . .
C2 C 0.2424(5) 0.44317(15) 0.0177(4) 0.0207(9) Uani 1 1 d . . . . .
H2 H 0.294105 0.469737 0.001799 0.025 Uiso 1 1 calc R U . . .
C3 C 0.0766(5) 0.43614(16) -0.0084(4) 0.0234(9) Uani 1 1 d . . . . .
H3 H -0.001854 0.457513 -0.044559 0.028 Uiso 1 1 calc R U . . .
C4 C 0.0483(5) 0.39186(17) 0.0287(4) 0.0243(9) Uani 1 1 d . . . . .
H4 H -0.052070 0.378500 0.021090 0.029 Uiso 1 1 calc R U . . .
C5 C 0.1966(5) 0.37092(15) 0.0794(4) 0.0196(9) Uani 1 1 d . . . . .
H5 H 0.212810 0.341314 0.111900 0.024 Uiso 1 1 calc R U . . .
C6 C 0.2480(5) 0.41436(15) 0.3312(4) 0.0196(9) Uani 1 1 d . . . . .
C7 C 0.3148(5) 0.45719(15) 0.3119(4) 0.0186(8) Uani 1 1 d . . . . .
H7 H 0.423784 0.464206 0.329508 0.022 Uiso 1 1 calc R U . . .
C8 C 0.1890(5) 0.48719(15) 0.2620(4) 0.0214(9) Uani 1 1 d . . . . .
H8 H 0.199169 0.517775 0.239563 0.026 Uiso 1 1 calc R U . . .
C9 C 0.0454(5) 0.46359(16) 0.2513(4) 0.0219(9) Uani 1 1 d . . . . .
H9 H -0.057206 0.475684 0.220526 0.026 Uiso 1 1 calc R U . . .
C10 C 0.0814(5) 0.41887(15) 0.2943(4) 0.0210(9) Uani 1 1 d . . . . .
H10 H 0.007105 0.395894 0.297937 0.025 Uiso 1 1 calc R U . . .
C11 C 0.6651(5) 0.45016(14) 0.2628(4) 0.0165(8) Uani 1 1 d . . . . .
C12 C 0.7427(5) 0.44115(17) 0.3769(4) 0.0230(9) Uani 1 1 d . . . . .
H12 H 0.752553 0.410781 0.404799 0.028 Uiso 1 1 calc R U . . .
C13 C 0.8052(6) 0.47718(19) 0.4488(4) 0.0307(11) Uani 1 1 d . . . . .
H13 H 0.859390 0.471300 0.526158 0.037 Uiso 1 1 calc R U . . .
C14 C 0.7893(6) 0.52151(19) 0.4090(5) 0.0343(12) Uani 1 1 d . . . . .
H14 H 0.831345 0.545943 0.459135 0.041 Uiso 1 1 calc R U . . .
C15 C 0.7118(6) 0.53024(17) 0.2957(5) 0.0303(11) Uani 1 1 d . . . . .
H15 H 0.701153 0.560714 0.268529 0.036 Uiso 1 1 calc R U . . .
C16 C 0.6495(5) 0.49465(15) 0.2217(4) 0.0211(9) Uani 1 1 d . . . . .
H16 H 0.597047 0.500644 0.144134 0.025 Uiso 1 1 calc R U . . .
C17 C 0.6843(5) 0.34045(14) 0.1193(4) 0.0200(9) Uani 1 1 d . . . . .
C18 C 0.7970(6) 0.31890(17) 0.2059(5) 0.0302(11) Uani 1 1 d . . . . .
H18 H 0.810764 0.327335 0.283276 0.036 Uiso 1 1 calc R U . . .
C19 C 0.8890(7) 0.28488(19) 0.1777(6) 0.0436(15) Uani 1 1 d . . . . .
H19 H 0.967071 0.270149 0.236047 0.052 Uiso 1 1 calc R U . . .
C20 C 0.8679(7) 0.27237(18) 0.0660(6) 0.0443(15) Uani 1 1 d . . . . .
H20 H 0.932414 0.249222 0.048001 0.053 Uiso 1 1 calc R U . . .
C21 C 0.7550(7) 0.29283(18) -0.0201(5) 0.0366(13) Uani 1 1 d . . . . .
H21 H 0.739756 0.283480 -0.096930 0.044 Uiso 1 1 calc R U . . .
C22 C 0.6635(6) 0.32724(16) 0.0065(4) 0.0267(10) Uani 1 1 d . . . . .
H22 H 0.586268 0.341895 -0.052612 0.032 Uiso 1 1 calc R U . . .
C23 C 0.5704(6) 0.36156(15) 0.5396(4) 0.0240(10) Uani 1 1 d . . . . .
C24 C 0.5588(7) 0.38553(17) 0.6353(5) 0.0347(12) Uani 1 1 d . . . . .
H24 H 0.462475 0.399695 0.636448 0.042 Uiso 1 1 calc R U . . .
C25 C 0.6895(9) 0.3886(2) 0.7294(5) 0.0463(16) Uani 1 1 d . . . . .
H25 H 0.681927 0.404819 0.795163 0.056 Uiso 1 1 calc R U . . .
C26 C 0.8291(8) 0.3684(2) 0.7283(5) 0.0425(14) Uani 1 1 d . . . . .
H26 H 0.917691 0.371000 0.792840 0.051 Uiso 1 1 calc R U . . .
C27 C 0.8414(8) 0.34429(19) 0.6331(5) 0.0409(14) Uani 1 1 d . . . . .
H27 H 0.938198 0.330391 0.632114 0.049 Uiso 1 1 calc R U . . .
C28 C 0.7112(6) 0.34063(17) 0.5393(4) 0.0307(11) Uani 1 1 d . . . . .
H28 H 0.718502 0.323696 0.474484 0.037 Uiso 1 1 calc R U . . .
C29 C 0.3324(6) 0.28658(16) 0.3436(4) 0.0297(11) Uani 1 1 d . . . . .
C30 C 0.2516(7) 0.2582(2) 0.3998(5) 0.0405(14) Uani 1 1 d . . . . .
H30 H 0.208982 0.269936 0.457750 0.049 Uiso 1 1 calc R U . . .
C31 C 0.2344(8) 0.2123(2) 0.3695(5) 0.0525(19) Uani 1 1 d . . . . .
H31 H 0.179442 0.192663 0.407418 0.063 Uiso 1 1 calc R U . . .
C32 C 0.2950(9) 0.1951(2) 0.2865(5) 0.0536(19) Uani 1 1 d . . . . .
H32 H 0.280848 0.163816 0.266272 0.064 Uiso 1 1 calc R U . . .
C33 C 0.3765(8) 0.22299(18) 0.2323(5) 0.0440(15) Uani 1 1 d . . . . .
H33 H 0.419723 0.210857 0.175080 0.053 Uiso 1 1 calc R U . . .
C34 C 0.3961(7) 0.26896(17) 0.2605(5) 0.0344(12) Uani 1 1 d . . . . .
H34 H 0.452933 0.288142 0.222930 0.041 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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 '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
C6 Fe1 C1 114.42(17) . . ?
C6 Fe1 C10 41.31(17) . . ?
C1 Fe1 C10 145.54(18) . . ?
C6 Fe1 C5 106.75(18) . . ?
C1 Fe1 C5 41.40(17) . . ?
C10 Fe1 C5 112.42(18) . . ?
C6 Fe1 C2 147.59(18) . . ?
C1 Fe1 C2 41.24(17) . . ?
C10 Fe1 C2 170.91(18) . . ?
C5 Fe1 C2 69.52(18) . . ?
C6 Fe1 C7 41.37(17) . . ?
C1 Fe1 C7 110.15(17) . . ?
C10 Fe1 C7 68.96(17) . . ?
C5 Fe1 C7 132.71(18) . . ?
C2 Fe1 C7 116.78(18) . . ?
C6 Fe1 C4 130.44(19) . . ?
C1 Fe1 C4 68.94(17) . . ?
C10 Fe1 C4 106.59(19) . . ?
C5 Fe1 C4 40.98(18) . . ?
C2 Fe1 C4 68.68(19) . . ?
C7 Fe1 C4 171.26(19) . . ?
C6 Fe1 C9 68.94(18) . . ?
C1 Fe1 C9 173.27(18) . . ?
C10 Fe1 C9 40.68(18) . . ?
C5 Fe1 C9 144.50(18) . . ?
C2 Fe1 C9 133.06(18) . . ?
C7 Fe1 C9 68.14(17) . . ?
C4 Fe1 C9 113.80(18) . . ?
C6 Fe1 C3 169.91(19) . . ?
C1 Fe1 C3 68.72(17) . . ?
C10 Fe1 C3 130.89(18) . . ?
C5 Fe1 C3 68.82(19) . . ?
C2 Fe1 C3 40.64(17) . . ?
C7 Fe1 C3 148.01(18) . . ?
C4 Fe1 C3 40.47(19) . . ?
C9 Fe1 C3 109.04(19) . . ?
C6 Fe1 C8 68.81(18) . . ?
C1 Fe1 C8 134.36(18) . . ?
C10 Fe1 C8 68.34(18) . . ?
C5 Fe1 C8 172.80(18) . . ?
C2 Fe1 C8 110.93(18) . . ?
C7 Fe1 C8 40.29(17) . . ?
C4 Fe1 C8 146.20(19) . . ?
C9 Fe1 C8 40.28(17) . . ?
C3 Fe1 C8 116.50(19) . . ?
O1 Sb1 C1 96.08(15) . . ?
O1 Sb1 C11 92.25(15) . . ?
C1 Sb1 C11 117.82(16) . . ?
O1 Sb1 C17 91.01(15) . . ?
C1 Sb1 C17 119.64(17) . . ?
C11 Sb1 C17 121.68(16) . . ?
O1 Sb1 Cl1 176.08(10) . . ?
C1 Sb1 Cl1 87.55(12) . . ?
C11 Sb1 Cl1 87.35(12) . . ?
C17 Sb1 Cl1 85.90(13) . . ?
O1 Sb2 C6 94.73(15) . . ?
O1 Sb2 C23 92.18(16) . . ?
C6 Sb2 C23 118.53(17) . . ?
O1 Sb2 C29 91.36(17) . . ?
C6 Sb2 C29 129.38(18) . . ?
C23 Sb2 C29 111.36(18) . . ?
O1 Sb2 Cl2 176.22(10) . . ?
C6 Sb2 Cl2 81.90(12) . . ?
C23 Sb2 Cl2 90.94(13) . . ?
C29 Sb2 Cl2 89.48(16) . . ?
Sb1 O1 Sb2 144.47(17) . . ?
C5 C1 C2 108.6(4) . . ?
C5 C1 Fe1 69.7(2) . . ?
C2 C1 Fe1 70.7(2) . . ?
C5 C1 Sb1 124.3(3) . . ?
C2 C1 Sb1 125.9(3) . . ?
Fe1 C1 Sb1 115.7(2) . . ?
C3 C2 C1 107.1(4) . . ?
C3 C2 Fe1 70.0(3) . . ?
C1 C2 Fe1 68.1(2) . . ?
C3 C2 H2 126.5 . . ?
C1 C2 H2 126.5 . . ?
Fe1 C2 H2 127.0 . . ?
C4 C3 C2 108.7(4) . . ?
C4 C3 Fe1 69.5(3) . . ?
C2 C3 Fe1 69.4(2) . . ?
C4 C3 H3 125.7 . . ?
C2 C3 H3 125.7 . . ?
Fe1 C3 H3 127.0 . . ?
C3 C4 C5 108.2(4) . . ?
C3 C4 Fe1 70.0(3) . . ?
C5 C4 Fe1 68.5(2) . . ?
C3 C4 H4 125.9 . . ?
C5 C4 H4 125.9 . . ?
Fe1 C4 H4 127.2 . . ?
C4 C5 C1 107.5(4) . . ?
C4 C5 Fe1 70.5(3) . . ?
C1 C5 Fe1 68.9(2) . . ?
C4 C5 H5 126.3 . . ?
C1 C5 H5 126.3 . . ?
Fe1 C5 H5 125.8 . . ?
C10 C6 C7 107.6(4) . . ?
C10 C6 Fe1 69.8(3) . . ?
C7 C6 Fe1 70.8(2) . . ?
C10 C6 Sb2 128.1(3) . . ?
C7 C6 Sb2 124.2(3) . . ?
Fe1 C6 Sb2 121.7(2) . . ?
C8 C7 C6 107.8(4) . . ?
C8 C7 Fe1 70.6(3) . . ?
C6 C7 Fe1 67.9(2) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
Fe1 C7 H7 127.0 . . ?
C7 C8 C9 108.2(4) . . ?
C7 C8 Fe1 69.1(2) . . ?
C9 C8 Fe1 69.3(3) . . ?
C7 C8 H8 125.9 . . ?
C9 C8 H8 125.9 . . ?
Fe1 C8 H8 127.2 . . ?
C10 C9 C8 108.2(4) . . ?
C10 C9 Fe1 68.5(2) . . ?
C8 C9 Fe1 70.4(2) . . ?
C10 C9 H9 125.9 . . ?
C8 C9 H9 125.9 . . ?
Fe1 C9 H9 126.7 . . ?
C9 C10 C6 108.2(4) . . ?
C9 C10 Fe1 70.8(2) . . ?
C6 C10 Fe1 68.9(2) . . ?
C9 C10 H10 125.9 . . ?
C6 C10 H10 125.9 . . ?
Fe1 C10 H10 126.0 . . ?
C16 C11 C12 120.6(4) . . ?
C16 C11 Sb1 120.8(3) . . ?
C12 C11 Sb1 118.3(3) . . ?
C13 C12 C11 119.1(5) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C14 C13 C12 120.7(5) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 119.9(5) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C14 C15 C16 120.4(5) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 119.2(4) . . ?
C11 C16 H16 120.4 . . ?
C15 C16 H16 120.4 . . ?
C18 C17 C22 119.9(4) . . ?
C18 C17 Sb1 119.7(3) . . ?
C22 C17 Sb1 120.3(3) . . ?
C19 C18 C17 119.0(5) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C20 C19 C18 120.5(6) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 121.0(5) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C20 C21 C22 119.3(5) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
C21 C22 C17 120.3(5) . . ?
C21 C22 H22 119.8 . . ?
C17 C22 H22 119.8 . . ?
C28 C23 C24 119.8(5) . . ?
C28 C23 Sb2 118.1(3) . . ?
C24 C23 Sb2 122.1(4) . . ?
C23 C24 C25 119.4(5) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C26 C25 C24 120.7(5) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C25 C26 C27 120.2(6) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C28 C27 C26 119.5(6) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C23 C28 C27 120.4(5) . . ?
C23 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C34 C29 C30 120.0(5) . . ?
C34 C29 Sb2 118.1(4) . . ?
C30 C29 Sb2 121.6(4) . . ?
C29 C30 C31 118.8(6) . . ?
C29 C30 H30 120.6 . . ?
C31 C30 H30 120.6 . . ?
C32 C31 C30 121.2(6) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C31 C32 C33 119.9(6) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C32 C33 C34 120.4(6) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C29 C34 C33 119.6(5) . . ?
C29 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
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 C6 2.011(4) . ?
Fe1 C1 2.015(4) . ?
Fe1 C10 2.024(4) . ?
Fe1 C5 2.024(4) . ?
Fe1 C2 2.050(4) . ?
Fe1 C7 2.050(4) . ?
Fe1 C4 2.051(4) . ?
Fe1 C9 2.054(4) . ?
Fe1 C3 2.057(4) . ?
Fe1 C8 2.069(4) . ?
Sb1 O1 1.969(3) . ?
Sb1 C1 2.090(4) . ?
Sb1 C11 2.112(4) . ?
Sb1 C17 2.116(4) . ?
Sb1 Cl1 2.5631(11) . ?
Sb2 O1 1.984(3) . ?
Sb2 C6 2.095(4) . ?
Sb2 C23 2.106(5) . ?
Sb2 C29 2.131(5) . ?
Sb2 Cl2 2.5567(14) . ?
C1 C5 1.428(6) . ?
C1 C2 1.432(6) . ?
C2 C3 1.426(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.421(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.427(6) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C10 1.424(6) . ?
C6 C7 1.435(6) . ?
C7 C8 1.419(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.420(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.418(6) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.392(6) . ?
C11 C12 1.398(6) . ?
C12 C13 1.389(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.383(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.393(6) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.391(7) . ?
C17 C22 1.392(6) . ?
C18 C19 1.389(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.372(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.375(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.385(7) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.387(7) . ?
C23 C24 1.389(6) . ?
C24 C25 1.393(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.370(9) . ?
C25 H25 0.9500 . ?
C26 C27 1.389(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(7) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C34 1.386(8) . ?
C29 C30 1.391(7) . ?
C30 C31 1.397(9) . ?
C30 H30 0.9500 . ?
C31 C32 1.363(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.373(9) . ?
C32 H32 0.9500 . ?
C33 C34 1.392(7) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
