#------------------------------------------------------------------------------
#$Date: 2026-04-05 13:43:37 +0200 (Sun 05 de Apr de 2026) $
#$Revision: 305309 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/54/7135438.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_7135438
loop_
_publ_author_name
'Thakur, Arunabha'
'Murphy, Brendan L.'
'Jiang, You'
'Bhuvanesh, Nattamai'
'Gabbaï, François P'
_publ_section_title
;
 Fluoride ion chelation via pnictogen bonding using a
 distibora[1.1]ferrocenophane.
;
_journal_issue                   18
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5293
_journal_page_last               5296
_journal_paper_doi               10.1039/d5cc06492a
_journal_volume                  62
_journal_year                    2026
_chemical_formula_moiety         'C32 H26 Fe2 Sb2'
_chemical_formula_sum            'C32 H26 Fe2 Sb2'
_chemical_formula_weight         765.73
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2026-01-09
_audit_creation_method
;
Olex2 1.5-beta
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2026-01-12 deposited with the CCDC.	2026-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                111.794(3)
_cell_angle_beta                 92.182(3)
_cell_angle_gamma                105.042(3)
_cell_formula_units_Z            1
_cell_length_a                   7.5974(2)
_cell_length_b                   8.8039(3)
_cell_length_c                   10.7370(3)
_cell_measurement_reflns_used    8178
_cell_measurement_temperature    99.9(4)
_cell_measurement_theta_max      77.8980
_cell_measurement_theta_min      4.4360
_cell_volume                     636.71(4)
_computing_cell_refinement       'CrysAlisPro 1.171.44.136a (Rigaku OD, 2025)'
_computing_data_collection       'CrysAlisPro 1.171.44.136a (Rigaku OD, 2025)'
_computing_data_reduction        'CrysAlisPro 1.171.44.136a (Rigaku OD, 2025)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.9(4)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -119.00 -25.00   0.50    0.30    --  -47.53 -76.00  83.00  188
  2  ω    -70.00  25.00   0.50    0.30    --  -47.53  76.00-150.00  190
  3  ω   -114.00 -19.00   0.50    0.90    --  -91.75  76.00-150.00  190
  4  ω   -163.00 -69.00   0.50    0.90    --  -91.75 -76.00  83.00  188
  5  ω     42.00 136.00   0.50    0.90    --  113.25 -76.00  83.00  188
  6  ω     91.00 178.00   0.50    0.90    --  113.25  76.00-150.00  174
  7  ω     42.00 136.00   0.50    0.90    --  113.25 -76.00  83.00  188
  8  ω     91.00 178.00   0.50    0.90    --  113.25  76.00-150.00  174
  9  ω    -12.00  28.00   0.50    0.30    --  -47.53  19.00  30.00   80
 10  ω     34.00  95.00   0.50    0.30    --   47.53-125.00-150.00  122
 11  ω    -24.00  70.00   0.50    0.30    --   47.53 -76.00  83.00  188
 12  ω    -27.00  12.00   0.50    0.30    --   47.53 -19.00-180.00   78
 13  ω    -27.00  12.00   0.50    0.30    --   47.53 -19.00  90.00   78
 14  ω    -24.00  70.00   0.50    0.30    --   47.53 -76.00  83.00  188
 15  ω     25.00 119.00   0.50    0.30    --   47.53  76.00-150.00  188
 16  ω    -49.00 -20.00   0.50    0.90    --  -91.75  45.00  60.00   58
 17  ω    -75.00 -19.00   0.50    0.90    --  -91.75  61.00   0.00  112
 18  ω    -49.00 -20.00   0.50    0.90    --  -91.75  45.00   0.00   58
 19  ω    -49.00 -20.00   0.50    0.90    --  -91.75  45.00  30.00   58
 20  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00  90.00  128
 21  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00 -90.00  128
 22  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00 -90.00  128
 23  ω    101.00 178.00   0.50    0.90    --  113.25  45.00 -90.00  154
 24  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00-180.00  128
 25  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00  60.00  128
 26  ω    101.00 178.00   0.50    0.90    --  113.25  30.00-180.00  154
 27  ω     42.00  75.00   0.50    0.90    --  113.25 -61.00  90.00   66
 28  ω     42.00  75.00   0.50    0.90    --  113.25 -61.00-150.00   66
 29  ω     42.00  75.00   0.50    0.90    --  113.25 -61.00-120.00   66
 30  ω     42.00 111.00   0.50    0.90    --  113.25-125.00  90.00  138
 31  ω     95.00 178.00   0.50    0.90    --  113.25 125.00 120.00  166
 32  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00-150.00  128
 33  ω    100.00 176.00   0.50    0.90    --  113.25  15.00-120.00  152
 34  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00 -30.00  128
 35  ω     42.00  75.00   0.50    0.90    --  113.25 -61.00 150.00   66
 36  ω    110.00 178.00   0.50    0.90    --  113.25  77.00  90.00  136
 37  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00-120.00  128
 38  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00   0.00  128
 39  ω     42.00  75.00   0.50    0.90    --  113.25 -61.00 120.00   66
 40  ω     42.00 106.00   0.50    0.90    --  113.25 -95.00  30.00  128
 41  ω     95.00 178.00   0.50    0.90    --  113.25 125.00-180.00  166
 42  ω     42.00  92.50   0.50    0.90    --  113.25-125.00  30.00  101
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1164350000
_diffrn_orient_matrix_UB_12      0.0727168000
_diffrn_orient_matrix_UB_13      0.1087502000
_diffrn_orient_matrix_UB_21      -0.1638665000
_diffrn_orient_matrix_UB_22      -0.1625227000
_diffrn_orient_matrix_UB_23      -0.0714520000
_diffrn_orient_matrix_UB_31      0.0684930000
_diffrn_orient_matrix_UB_32      -0.0848445000
_diffrn_orient_matrix_UB_33      0.0865764000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            11968
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.452
_diffrn_reflns_theta_min         4.486
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           '1 mA'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           '50 kV'
_exptl_absorpt_coefficient_mu    25.741
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.44.136a (Rigaku Oxford Diffraction, 2025)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.997
_exptl_crystal_description       plate
_exptl_crystal_F_000             372
_exptl_crystal_size_max          0.101
_exptl_crystal_size_mid          0.098
_exptl_crystal_size_min          0.035
_refine_diff_density_max         0.947
_refine_diff_density_min         -1.130
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     171
_refine_ls_number_reflns         2582
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0315
_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)+(0.0564P)²+0.9095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0851
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2448
_reflns_number_total             2582
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cc06492a2.cif
_cod_data_source_block           fg_at_tetra
_cod_depositor_comments
'Adding full bibliography for 7135436--7135439.cif.'
_cod_original_cell_volume        636.70(4)
_cod_database_code               7135438
_shelx_shelxl_version_number     2019/1
_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_max   0.466
_shelx_estimated_absorpt_t_min   0.181
_diffrn_oxdiff_digest_hkl
;
436030d445238bf6596f54168836d83958df86
;
_diffrn_oxdiff_digest_od_ed
;

;
_diffrn_oxdiff_measurement_exp_name AT_test_tetra.par
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9), C11(H11), C12(H12), C16(H16), C8(H8), C10(H10)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C5(H5), C3(H3), C2(H2)
;
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a MITIGEN holder'
_olex2_submission_original_sample_id FGB_AT_260108_dSc_tetra
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.580
_oxdiff_exptl_absorpt_empirical_full_min 0.522
loop_
_space_group_symop_operation_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_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
Sb1 Sb 0.53705(3) 0.28100(3) 0.60178(2) 0.02404(11) Uani 1 1 d . . . . .
Fe1 Fe 0.58444(7) 0.31117(7) 0.26233(6) 0.01962(14) Uani 1 1 d . . . . .
C13 C 0.4199(5) 0.4608(5) 0.2603(4) 0.0240(7) Uani 1 1 d . . . . .
C7 C 0.6823(5) 0.3051(5) 0.4409(4) 0.0238(7) Uani 1 1 d . . . . .
C1 C 0.7606(5) 0.2451(5) 0.7087(4) 0.0239(7) Uani 1 1 d . . . . .
C9 C 0.8669(5) 0.3899(5) 0.2970(4) 0.0256(8) Uani 1 1 d . . . . .
H9 H 0.948772 0.463226 0.257338 0.031 Uiso 1 1 calc R U . . .
C4 C 1.0427(6) 0.1928(6) 0.8491(5) 0.0341(9) Uani 1 1 d . . . . .
H4 H 1.137424 0.173937 0.896591 0.041 Uiso 1 1 calc R U . . .
C11 C 0.6848(6) 0.1562(5) 0.3270(4) 0.0288(8) Uani 1 1 d . . . . .
H11 H 0.617181 0.035534 0.311533 0.035 Uiso 1 1 calc R U . . .
C15 C 0.4579(6) 0.2413(6) 0.0704(4) 0.0322(9) Uani 1 1 d . . . . .
C12 C 0.3108(5) 0.2994(5) 0.2573(4) 0.0261(8) Uani 1 1 d . . . . .
H12 H 0.233015 0.283268 0.327087 0.031 Uiso 1 1 calc R U . . .
C14 C 0.5112(6) 0.4237(6) 0.1430(4) 0.0283(8) Uani 1 1 d . . . . .
C16 C 0.3369(6) 0.1665(6) 0.1421(5) 0.0317(9) Uani 1 1 d . . . . .
H16 H 0.279809 0.041030 0.116298 0.038 Uiso 1 1 calc R U . . .
C8 C 0.7957(5) 0.4501(5) 0.4213(4) 0.0243(7) Uani 1 1 d . . . . .
H8 H 0.818937 0.572839 0.483423 0.029 Uiso 1 1 calc R U . . .
C10 C 0.7993(6) 0.2078(5) 0.2378(5) 0.0287(8) Uani 1 1 d . . . . .
H10 H 0.826231 0.130331 0.150330 0.034 Uiso 1 1 calc R U . . .
C6 C 0.8722(7) 0.1513(6) 0.6394(5) 0.0394(11) Uani 1 1 d . . . . .
H6 H 0.853118 0.103471 0.543062 0.047 Uiso 1 1 calc R U . . .
C5 C 1.0121(8) 0.1264(8) 0.7098(6) 0.0474(12) Uani 1 1 d . . . . .
H5 H 1.088102 0.062262 0.660613 0.057 Uiso 1 1 calc R U . . .
C3 C 0.9339(8) 0.2862(7) 0.9170(5) 0.0448(12) Uani 1 1 d . . . . .
H3 H 0.954151 0.334288 1.013393 0.054 Uiso 1 1 calc R U . . .
C2 C 0.7930(7) 0.3132(7) 0.8484(5) 0.0401(11) Uani 1 1 d . . . . .
H2 H 0.718821 0.378949 0.898371 0.048 Uiso 1 1 calc R U . . .
H14 H 0.594(7) 0.501(6) 0.115(5) 0.026(12) Uiso 1 1 d . . . . .
H15 H 0.504(9) 0.189(8) -0.003(7) 0.049(17) Uiso 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 0.0181 0.0091 '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'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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
C13 Sb1 C1 94.27(14) 2_666 . ?
C7 Sb1 C13 103.79(15) . 2_666 ?
C7 Sb1 C1 95.05(14) . . ?
C13 Fe1 C7 120.96(16) . . ?
C13 Fe1 C9 125.70(16) . . ?
C13 Fe1 C12 41.03(15) . . ?
C13 Fe1 C16 69.11(16) . . ?
C13 Fe1 C8 108.44(16) . . ?
C13 Fe1 C10 162.06(17) . . ?
C9 Fe1 C7 68.92(15) . . ?
C9 Fe1 C12 164.86(16) . . ?
C9 Fe1 C8 40.70(16) . . ?
C11 Fe1 C13 155.81(17) . . ?
C11 Fe1 C7 40.91(16) . . ?
C11 Fe1 C9 68.68(16) . . ?
C11 Fe1 C15 124.48(19) . . ?
C11 Fe1 C12 120.91(17) . . ?
C11 Fe1 C16 107.45(18) . . ?
C11 Fe1 C8 68.57(16) . . ?
C11 Fe1 C10 41.21(17) . . ?
C15 Fe1 C13 69.33(17) . . ?
C15 Fe1 C7 163.01(18) . . ?
C15 Fe1 C9 117.73(17) . . ?
C15 Fe1 C12 68.11(17) . . ?
C15 Fe1 C16 40.44(19) . . ?
C15 Fe1 C8 153.41(18) . . ?
C15 Fe1 C10 104.89(17) . . ?
C12 Fe1 C7 109.78(16) . . ?
C14 Fe1 C13 41.23(16) . . ?
C14 Fe1 C7 155.10(17) . . ?
C14 Fe1 C9 105.80(17) . . ?
C14 Fe1 C11 161.77(17) . . ?
C14 Fe1 C15 41.34(19) . . ?
C14 Fe1 C12 68.69(16) . . ?
C14 Fe1 C16 68.94(18) . . ?
C14 Fe1 C8 119.32(17) . . ?
C14 Fe1 C10 123.45(17) . . ?
C16 Fe1 C7 127.06(17) . . ?
C16 Fe1 C9 152.40(18) . . ?
C16 Fe1 C12 40.41(17) . . ?
C16 Fe1 C8 165.45(18) . . ?
C16 Fe1 C10 118.18(18) . . ?
C8 Fe1 C7 40.93(15) . . ?
C8 Fe1 C12 128.56(17) . . ?
C10 Fe1 C7 69.30(16) . . ?
C10 Fe1 C9 40.72(16) . . ?
C10 Fe1 C12 154.10(17) . . ?
C10 Fe1 C8 68.72(16) . . ?
Fe1 C13 Sb1 125.75(19) . 2_666 ?
C12 C13 Sb1 132.9(3) . 2_666 ?
C12 C13 Fe1 69.8(2) . . ?
C14 C13 Sb1 120.4(3) . 2_666 ?
C14 C13 Fe1 68.8(2) . . ?
C14 C13 C12 106.7(4) . . ?
Fe1 C7 Sb1 128.84(18) . . ?
C11 C7 Sb1 120.4(3) . . ?
C11 C7 Fe1 68.7(2) . . ?
C11 C7 C8 106.9(3) . . ?
C8 C7 Sb1 132.7(3) . . ?
C8 C7 Fe1 69.4(2) . . ?
C6 C1 Sb1 121.3(3) . . ?
C2 C1 Sb1 120.5(3) . . ?
C2 C1 C6 118.1(4) . . ?
Fe1 C9 H9 125.8 . . ?
C8 C9 Fe1 69.7(2) . . ?
C8 C9 H9 125.8 . . ?
C10 C9 Fe1 69.5(2) . . ?
C10 C9 H9 125.8 . . ?
C10 C9 C8 108.4(4) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
C3 C4 C5 118.2(4) . . ?
Fe1 C11 H11 125.5 . . ?
C7 C11 Fe1 70.4(2) . . ?
C7 C11 H11 125.5 . . ?
C7 C11 C10 109.0(4) . . ?
C10 C11 Fe1 70.0(2) . . ?
C10 C11 H11 125.5 . . ?
Fe1 C15 H15 122(4) . . ?
C14 C15 Fe1 68.9(2) . . ?
C14 C15 H15 124(4) . . ?
C16 C15 Fe1 70.0(2) . . ?
C16 C15 C14 108.1(4) . . ?
C16 C15 H15 128(4) . . ?
Fe1 C12 H12 125.6 . . ?
C13 C12 Fe1 69.1(2) . . ?
C13 C12 H12 125.6 . . ?
C16 C12 Fe1 69.5(2) . . ?
C16 C12 C13 108.8(4) . . ?
C16 C12 H12 125.6 . . ?
Fe1 C14 H14 125(3) . . ?
C13 C14 Fe1 70.0(2) . . ?
C13 C14 C15 108.1(4) . . ?
C13 C14 H14 128(3) . . ?
C15 C14 Fe1 69.7(2) . . ?
C15 C14 H14 123(3) . . ?
Fe1 C16 H16 125.8 . . ?
C15 C16 Fe1 69.5(2) . . ?
C15 C16 C12 108.3(4) . . ?
C15 C16 H16 125.8 . . ?
C12 C16 Fe1 70.1(2) . . ?
C12 C16 H16 125.8 . . ?
Fe1 C8 H8 125.7 . . ?
C7 C8 Fe1 69.7(2) . . ?
C7 C8 H8 125.7 . . ?
C9 C8 Fe1 69.6(2) . . ?
C9 C8 C7 108.5(3) . . ?
C9 C8 H8 125.7 . . ?
Fe1 C10 H10 126.4 . . ?
C9 C10 Fe1 69.7(2) . . ?
C9 C10 C11 107.2(4) . . ?
C9 C10 H10 126.4 . . ?
C11 C10 Fe1 68.8(2) . . ?
C11 C10 H10 126.4 . . ?
C1 C6 H6 119.8 . . ?
C1 C6 C5 120.5(4) . . ?
C5 C6 H6 119.8 . . ?
C4 C5 C6 121.3(5) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C4 C3 H3 119.3 . . ?
C4 C3 C2 121.5(5) . . ?
C2 C3 H3 119.3 . . ?
C1 C2 C3 120.5(4) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
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
Sb1 C13 2.132(4) 2_666 ?
Sb1 C7 2.131(4) . ?
Sb1 C1 2.169(4) . ?
Fe1 C13 2.043(4) . ?
Fe1 C7 2.055(4) . ?
Fe1 C9 2.050(4) . ?
Fe1 C11 2.031(4) . ?
Fe1 C15 2.037(4) . ?
Fe1 C12 2.052(4) . ?
Fe1 C14 2.027(4) . ?
Fe1 C16 2.043(4) . ?
Fe1 C8 2.051(4) . ?
Fe1 C10 2.047(4) . ?
C13 C12 1.435(5) . ?
C13 C14 1.433(6) . ?
C7 C11 1.428(6) . ?
C7 C8 1.435(5) . ?
C1 C6 1.381(6) . ?
C1 C2 1.378(6) . ?
C9 H9 1.0000 . ?
C9 C8 1.426(6) . ?
C9 C10 1.425(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.373(7) . ?
C4 C3 1.359(8) . ?
C11 H11 1.0000 . ?
C11 C10 1.435(6) . ?
C15 C14 1.435(7) . ?
C15 C16 1.410(7) . ?
C15 H15 0.89(7) . ?
C12 H12 1.0000 . ?
C12 C16 1.415(6) . ?
C14 H14 0.94(5) . ?
C16 H16 1.0000 . ?
C8 H8 1.0000 . ?
C10 H10 1.0000 . ?
C6 H6 0.9500 . ?
C6 C5 1.390(6) . ?
C5 H5 0.9500 . ?
C3 H3 0.9500 . ?
C3 C2 1.395(7) . ?
C2 H2 0.9500 . ?
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
_geom_torsion_publ_flag
Sb1 C13 C12 Fe1 -120.6(3) 2_666 . . . ?
Sb1 C13 C12 C16 -178.8(3) 2_666 . . . ?
Sb1 C13 C14 Fe1 119.9(2) 2_666 . . . ?
Sb1 C13 C14 C15 179.5(2) 2_666 . . . ?
Sb1 C7 C11 Fe1 123.5(2) . . . . ?
Sb1 C7 C11 C10 -177.0(3) . . . . ?
Sb1 C7 C8 Fe1 -124.4(3) . . . . ?
Sb1 C7 C8 C9 176.7(3) . . . . ?
Sb1 C1 C6 C5 -178.5(4) . . . . ?
Sb1 C1 C2 C3 178.3(4) . . . . ?
Fe1 C13 C12 C16 -58.2(3) . . . . ?
Fe1 C13 C14 C15 59.6(3) . . . . ?
Fe1 C7 C11 C10 59.5(3) . . . . ?
Fe1 C7 C8 C9 -58.9(3) . . . . ?
Fe1 C9 C8 C7 59.0(3) . . . . ?
Fe1 C9 C10 C11 -58.9(3) . . . . ?
Fe1 C11 C10 C9 59.4(3) . . . . ?
Fe1 C15 C14 C13 -59.7(3) . . . . ?
Fe1 C15 C16 C12 59.6(3) . . . . ?
Fe1 C12 C16 C15 -59.3(3) . . . . ?
C13 C12 C16 Fe1 58.0(3) . . . . ?
C13 C12 C16 C15 -1.3(4) . . . . ?
C7 C11 C10 Fe1 -59.8(3) . . . . ?
C7 C11 C10 C9 -0.3(4) . . . . ?
C1 C6 C5 C4 0.4(9) . . . . ?
C4 C3 C2 C1 0.0(8) . . . . ?
C11 C7 C8 Fe1 58.7(3) . . . . ?
C11 C7 C8 C9 -0.2(4) . . . . ?
C12 C13 C14 Fe1 -59.8(3) . . . . ?
C12 C13 C14 C15 -0.3(4) . . . . ?
C14 C13 C12 Fe1 59.1(3) . . . . ?
C14 C13 C12 C16 0.9(4) . . . . ?
C14 C15 C16 Fe1 -58.6(3) . . . . ?
C14 C15 C16 C12 1.1(4) . . . . ?
C16 C15 C14 Fe1 59.2(3) . . . . ?
C16 C15 C14 C13 -0.5(4) . . . . ?
C8 C7 C11 Fe1 -59.1(3) . . . . ?
C8 C7 C11 C10 0.4(4) . . . . ?
C8 C9 C10 Fe1 59.0(3) . . . . ?
C8 C9 C10 C11 0.2(4) . . . . ?
C10 C9 C8 Fe1 -58.9(3) . . . . ?
C10 C9 C8 C7 0.0(4) . . . . ?
C6 C1 C2 C3 -0.5(7) . . . . ?
C5 C4 C3 C2 0.8(8) . . . . ?
C3 C4 C5 C6 -1.0(8) . . . . ?
C2 C1 C6 C5 0.3(7) . . . . ?
