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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/7/71/19/7711954.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_7711954
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         'C68 H56 Fe2 Pd Sb4, 2(F6 Sb), C3 H6 O'
_chemical_formula_sum            'C71 H62 F12 Fe2 O Pd Sb6'
_chemical_formula_weight         2107.80
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/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                 101.9740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.2838(7)
_cell_length_b                   13.1838(5)
_cell_length_c                   24.6950(9)
_cell_measurement_reflns_used    9189
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.35
_cell_volume                     6778.7(4)
_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 0.998
_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  0.0254
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            34669
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         1.926
_exptl_absorpt_coefficient_mu    3.102
_exptl_absorpt_correction_T_max  0.63
_exptl_absorpt_correction_T_min  0.48
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_description       prism
_exptl_crystal_F_000             4032
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.237
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         7777
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0123P)²+23.8461P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0475
_refine_ls_wR_factor_ref         0.0482
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7433
_reflns_number_total             7777
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03770j3.cif
_cod_data_source_block           ja60
_cod_depositor_comments
'Adding full bibliography for 7711945--7711966.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7711954
_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   0.446
_shelx_estimated_absorpt_t_max   0.637
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Pd1 Pd 0.500000 0.500000 0.500000 0.01534(5) Uani 1 2 d S . P . .
Fe1 Fe 0.37787(2) 0.55556(2) 0.63889(2) 0.01617(7) Uani 1 1 d . . . . .
Sb1 Sb 0.49012(2) 0.39576(2) 0.58790(2) 0.01657(4) Uani 1 1 d . . . . .
Sb2 Sb 0.38939(2) 0.58454(2) 0.49728(2) 0.01599(4) Uani 1 1 d . . . . .
C1 C 0.46540(11) 0.48848(18) 0.64977(9) 0.0181(4) Uani 1 1 d . . . . .
C2 C 0.47229(11) 0.59656(18) 0.65177(10) 0.0216(5) Uani 1 1 d . . . . .
H2 H 0.491697 0.636801 0.627846 0.026 Uiso 1 1 calc R U . . .
C3 C 0.44498(12) 0.6328(2) 0.69581(10) 0.0247(5) Uani 1 1 d . . . . .
H3 H 0.442916 0.701745 0.706559 0.030 Uiso 1 1 calc R U . . .
C4 C 0.42136(12) 0.54870(19) 0.72093(10) 0.0237(5) Uani 1 1 d . . . . .
H4 H 0.400443 0.551799 0.751338 0.028 Uiso 1 1 calc R U . . .
C5 C 0.43398(11) 0.45870(19) 0.69334(9) 0.0204(5) Uani 1 1 d . . . . .
H5 H 0.423557 0.391430 0.702104 0.025 Uiso 1 1 calc R U . . .
C6 C 0.33432(10) 0.57179(18) 0.55837(9) 0.0173(4) Uani 1 1 d . . . . .
C7 C 0.32106(11) 0.65766(19) 0.59006(9) 0.0206(5) Uani 1 1 d . . . . .
H7 H 0.331802 0.726223 0.584352 0.025 Uiso 1 1 calc R U . . .
C8 C 0.28900(11) 0.6219(2) 0.63149(10) 0.0250(5) Uani 1 1 d . . . . .
H8 H 0.274608 0.662430 0.658311 0.030 Uiso 1 1 calc R U . . .
C9 C 0.28227(11) 0.5151(2) 0.62576(10) 0.0256(5) Uani 1 1 d . . . . .
H9 H 0.262503 0.471962 0.648156 0.031 Uiso 1 1 calc R U . . .
C10 C 0.31010(11) 0.48327(19) 0.58078(10) 0.0208(5) Uani 1 1 d . . . . .
H10 H 0.312204 0.415637 0.568002 0.025 Uiso 1 1 calc R U . . .
C11 C 0.56023(11) 0.29954(18) 0.63629(10) 0.0207(5) Uani 1 1 d . . . . .
C12 C 0.56452(13) 0.1979(2) 0.62214(11) 0.0272(5) Uani 1 1 d . . . . .
H12 H 0.536993 0.171242 0.590037 0.033 Uiso 1 1 calc R U . . .
C13 C 0.60945(15) 0.1356(2) 0.65540(12) 0.0349(6) Uani 1 1 d . . . . .
H13 H 0.612561 0.066178 0.646080 0.042 Uiso 1 1 calc R U . . .
C14 C 0.64953(14) 0.1747(2) 0.70194(12) 0.0369(7) Uani 1 1 d . . . . .
H14 H 0.680352 0.131983 0.724291 0.044 Uiso 1 1 calc R U . . .
C15 C 0.64527(14) 0.2750(2) 0.71626(12) 0.0354(6) Uani 1 1 d . . . . .
H15 H 0.673034 0.301175 0.748372 0.042 Uiso 1 1 calc R U . . .
C16 C 0.60025(12) 0.3381(2) 0.68366(10) 0.0268(5) Uani 1 1 d . . . . .
H16 H 0.596844 0.407102 0.693682 0.032 Uiso 1 1 calc R U . . .
C17 C 0.41414(11) 0.29141(18) 0.56560(10) 0.0212(5) Uani 1 1 d . . . . .
C18 C 0.38298(12) 0.2793(2) 0.51047(10) 0.0261(5) Uani 1 1 d . . . . .
H18 H 0.397001 0.316101 0.482073 0.031 Uiso 1 1 calc R U . . .
C19 C 0.33111(13) 0.2129(2) 0.49735(12) 0.0332(6) Uani 1 1 d . . . . .
H19 H 0.310105 0.203357 0.459828 0.040 Uiso 1 1 calc R U . . .
C20 C 0.31030(14) 0.1612(2) 0.53883(13) 0.0353(6) Uani 1 1 d . . . . .
H20 H 0.274474 0.116864 0.529720 0.042 Uiso 1 1 calc R U . . .
C21 C 0.34103(14) 0.1731(2) 0.59362(13) 0.0338(6) Uani 1 1 d . . . . .
H21 H 0.325890 0.137749 0.621897 0.041 Uiso 1 1 calc R U . . .
C22 C 0.39398(13) 0.23682(19) 0.60733(11) 0.0263(5) Uani 1 1 d . . . . .
H22 H 0.416221 0.243126 0.644729 0.032 Uiso 1 1 calc R U . . .
C23 C 0.31697(12) 0.55624(18) 0.42611(9) 0.0207(5) Uani 1 1 d . . . . .
C24 C 0.32948(14) 0.5009(2) 0.38173(11) 0.0299(6) Uani 1 1 d . . . . .
H24 H 0.370755 0.472133 0.383360 0.036 Uiso 1 1 calc R U . . .
C25 C 0.28127(17) 0.4878(3) 0.33496(12) 0.0407(7) Uani 1 1 d . . . . .
H25 H 0.289709 0.450600 0.304316 0.049 Uiso 1 1 calc R U . . .
C26 C 0.22145(16) 0.5285(2) 0.33277(12) 0.0388(7) Uani 1 1 d . . . . .
H26 H 0.189093 0.521201 0.300148 0.047 Uiso 1 1 calc R U . . .
C27 C 0.20804(14) 0.5800(2) 0.37776(13) 0.0363(7) Uani 1 1 d . . . . .
H27 H 0.166109 0.605822 0.376528 0.044 Uiso 1 1 calc R U . . .
C28 C 0.25592(13) 0.5939(2) 0.42483(11) 0.0287(6) Uani 1 1 d . . . . .
H28 H 0.246831 0.629030 0.455907 0.034 Uiso 1 1 calc R U . . .
C29 C 0.40195(11) 0.74444(18) 0.50104(9) 0.0190(4) Uani 1 1 d . . . . .
C30 C 0.45925(12) 0.7839(2) 0.53153(10) 0.0246(5) Uani 1 1 d . . . . .
H30 H 0.493057 0.739462 0.547866 0.030 Uiso 1 1 calc R U . . .
C31 C 0.46689(13) 0.8881(2) 0.53799(12) 0.0305(6) Uani 1 1 d . . . . .
H31 H 0.505670 0.915043 0.559205 0.037 Uiso 1 1 calc R U . . .
C32 C 0.41761(14) 0.9529(2) 0.51333(12) 0.0316(6) Uani 1 1 d . . . . .
H32 H 0.422739 1.024238 0.517743 0.038 Uiso 1 1 calc R U . . .
C33 C 0.36139(13) 0.91386(19) 0.48253(12) 0.0277(5) Uani 1 1 d . . . . .
H33 H 0.328102 0.958505 0.465431 0.033 Uiso 1 1 calc R U . . .
C34 C 0.35300(12) 0.81003(19) 0.47629(10) 0.0231(5) Uani 1 1 d . . . . .
H34 H 0.313997 0.783591 0.455202 0.028 Uiso 1 1 calc R U . . .
Sb3 Sb 0.35674(2) 0.19412(2) 0.33020(2) 0.03570(5) Uani 1 1 d . . . . .
F1 F 0.33334(14) 0.28221(18) 0.27081(10) 0.0750(7) Uani 1 1 d . . . . .
F2 F 0.43128(14) 0.1600(2) 0.30648(14) 0.0923(10) Uani 1 1 d . . . . .
F3 F 0.31276(13) 0.08591(16) 0.29020(8) 0.0606(6) Uani 1 1 d . . . . .
F4 F 0.28238(8) 0.22876(15) 0.35478(8) 0.0436(4) Uani 1 1 d . . . . .
F5 F 0.40156(9) 0.29829(15) 0.37443(10) 0.0563(6) Uani 1 1 d . . . . .
F6 F 0.38021(10) 0.10664(14) 0.39113(8) 0.0489(5) Uani 1 1 d . . . . .
O1S O 0.500000 -0.1793(4) 0.250000 0.0890(16) Uani 1 2 d S T P . .
C1S C 0.500000 -0.0869(5) 0.250000 0.0611(15) Uani 1 2 d S T P . .
C2S C 0.5422(2) -0.0265(4) 0.2929(2) 0.0885(18) Uani 1 1 d . . . . .
H2S1 H 0.516497 0.006027 0.316615 0.133 Uiso 1 1 calc R U . . .
H2S2 H 0.563917 0.025715 0.275188 0.133 Uiso 1 1 calc R U . . .
H2S3 H 0.574344 -0.070867 0.315311 0.133 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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
Sb2 Pd1 Sb2 180.0 . 5_666 ?
Sb2 Pd1 Sb1 91.055(5) . . ?
Sb2 Pd1 Sb1 88.946(5) 5_666 . ?
Sb2 Pd1 Sb1 88.948(5) . 5_666 ?
Sb2 Pd1 Sb1 91.052(5) 5_666 5_666 ?
Sb1 Pd1 Sb1 180.0 . 5_666 ?
C6 Fe1 C1 113.39(9) . . ?
C6 Fe1 C7 41.53(9) . . ?
C1 Fe1 C7 141.70(9) . . ?
C6 Fe1 C2 111.13(9) . . ?
C1 Fe1 C2 41.20(9) . . ?
C7 Fe1 C2 111.26(10) . . ?
C6 Fe1 C10 41.21(9) . . ?
C1 Fe1 C10 112.58(10) . . ?
C7 Fe1 C10 69.27(10) . . ?
C2 Fe1 C10 139.49(10) . . ?
C6 Fe1 C4 176.42(10) . . ?
C1 Fe1 C4 68.63(9) . . ?
C7 Fe1 C4 135.09(10) . . ?
C2 Fe1 C4 68.23(10) . . ?
C10 Fe1 C4 141.39(10) . . ?
C6 Fe1 C5 142.80(9) . . ?
C1 Fe1 C5 41.19(9) . . ?
C7 Fe1 C5 175.58(10) . . ?
C2 Fe1 C5 69.02(10) . . ?
C10 Fe1 C5 113.57(10) . . ?
C4 Fe1 C5 40.61(9) . . ?
C6 Fe1 C3 137.02(10) . . ?
C1 Fe1 C3 68.70(10) . . ?
C7 Fe1 C3 108.75(10) . . ?
C2 Fe1 C3 40.52(10) . . ?
C10 Fe1 C3 177.99(10) . . ?
C4 Fe1 C3 40.31(10) . . ?
C5 Fe1 C3 68.43(10) . . ?
C6 Fe1 C8 69.05(9) . . ?
C1 Fe1 C8 177.42(9) . . ?
C7 Fe1 C8 40.73(10) . . ?
C2 Fe1 C8 139.34(10) . . ?
C10 Fe1 C8 68.55(10) . . ?
C4 Fe1 C8 108.99(10) . . ?
C5 Fe1 C8 136.32(10) . . ?
C3 Fe1 C8 110.24(10) . . ?
C6 Fe1 C9 68.72(9) . . ?
C1 Fe1 C9 139.16(10) . . ?
C7 Fe1 C9 68.39(10) . . ?
C2 Fe1 C9 179.63(11) . . ?
C10 Fe1 C9 40.60(10) . . ?
C4 Fe1 C9 111.89(10) . . ?
C5 Fe1 C9 111.32(10) . . ?
C3 Fe1 C9 139.36(10) . . ?
C8 Fe1 C9 40.31(11) . . ?
C1 Sb1 C17 105.95(9) . . ?
C1 Sb1 C11 100.97(9) . . ?
C17 Sb1 C11 99.69(9) . . ?
C1 Sb1 Pd1 111.86(6) . . ?
C17 Sb1 Pd1 108.41(7) . . ?
C11 Sb1 Pd1 127.74(6) . . ?
C6 Sb2 C23 99.41(9) . . ?
C6 Sb2 C29 97.58(9) . . ?
C23 Sb2 C29 105.93(9) . . ?
C6 Sb2 Pd1 125.87(6) . . ?
C23 Sb2 Pd1 116.52(7) . . ?
C29 Sb2 Pd1 108.67(6) . . ?
C2 C1 C5 107.9(2) . . ?
C2 C1 Fe1 69.85(13) . . ?
C5 C1 Fe1 70.15(13) . . ?
C2 C1 Sb1 124.27(17) . . ?
C5 C1 Sb1 127.63(17) . . ?
Fe1 C1 Sb1 121.16(11) . . ?
C3 C2 C1 107.9(2) . . ?
C3 C2 Fe1 70.24(14) . . ?
C1 C2 Fe1 68.95(13) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Fe1 C2 H2 126.3 . . ?
C4 C3 C2 108.2(2) . . ?
C4 C3 Fe1 69.57(14) . . ?
C2 C3 Fe1 69.23(13) . . ?
C4 C3 H3 125.9 . . ?
C2 C3 H3 125.9 . . ?
Fe1 C3 H3 126.8 . . ?
C3 C4 C5 109.0(2) . . ?
C3 C4 Fe1 70.12(14) . . ?
C5 C4 Fe1 69.76(13) . . ?
C3 C4 H4 125.5 . . ?
C5 C4 H4 125.5 . . ?
Fe1 C4 H4 126.2 . . ?
C4 C5 C1 107.2(2) . . ?
C4 C5 Fe1 69.63(13) . . ?
C1 C5 Fe1 68.67(12) . . ?
C4 C5 H5 126.4 . . ?
C1 C5 H5 126.4 . . ?
Fe1 C5 H5 126.8 . . ?
C10 C6 C7 107.7(2) . . ?
C10 C6 Fe1 70.27(13) . . ?
C7 C6 Fe1 69.51(12) . . ?
C10 C6 Sb2 129.93(17) . . ?
C7 C6 Sb2 122.00(17) . . ?
Fe1 C6 Sb2 120.28(10) . . ?
C8 C7 C6 107.9(2) . . ?
C8 C7 Fe1 70.64(13) . . ?
C6 C7 Fe1 68.97(12) . . ?
C8 C7 H7 126.0 . . ?
C6 C7 H7 126.0 . . ?
Fe1 C7 H7 125.9 . . ?
C9 C8 C7 108.1(2) . . ?
C9 C8 Fe1 70.07(14) . . ?
C7 C8 Fe1 68.63(13) . . ?
C9 C8 H8 125.9 . . ?
C7 C8 H8 125.9 . . ?
Fe1 C8 H8 126.9 . . ?
C8 C9 C10 108.6(2) . . ?
C8 C9 Fe1 69.62(14) . . ?
C10 C9 Fe1 69.08(13) . . ?
C8 C9 H9 125.7 . . ?
C10 C9 H9 125.7 . . ?
Fe1 C9 H9 127.2 . . ?
C9 C10 C6 107.6(2) . . ?
C9 C10 Fe1 70.32(14) . . ?
C6 C10 Fe1 68.52(13) . . ?
C9 C10 H10 126.2 . . ?
C6 C10 H10 126.2 . . ?
Fe1 C10 H10 126.5 . . ?
C16 C11 C12 120.1(2) . . ?
C16 C11 Sb1 119.34(18) . . ?
C12 C11 Sb1 120.52(19) . . ?
C13 C12 C11 119.5(3) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C14 C13 C12 120.1(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C13 120.7(3) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.9(3) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C11 119.7(3) . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?
C18 C17 C22 120.4(2) . . ?
C18 C17 Sb1 120.89(18) . . ?
C22 C17 Sb1 118.72(18) . . ?
C19 C18 C17 119.5(2) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C20 C19 C18 120.0(3) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 120.7(3) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C20 C21 C22 120.1(3) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C17 119.3(2) . . ?
C21 C22 H22 120.3 . . ?
C17 C22 H22 120.3 . . ?
C28 C23 C24 120.2(2) . . ?
C28 C23 Sb2 118.29(18) . . ?
C24 C23 Sb2 121.51(19) . . ?
C25 C24 C23 119.5(3) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C26 C25 C24 120.3(3) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 120.3(3) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C28 120.0(3) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C23 C28 C27 119.6(3) . . ?
C23 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C34 C29 C30 119.7(2) . . ?
C34 C29 Sb2 121.38(18) . . ?
C30 C29 Sb2 118.78(17) . . ?
C31 C30 C29 120.0(2) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 119.9(3) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C33 C32 C31 120.1(2) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.5(2) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C33 C34 C29 119.8(2) . . ?
C33 C34 H34 120.1 . . ?
C29 C34 H34 120.1 . . ?
F1 Sb3 F2 90.51(13) . . ?
F1 Sb3 F4 89.85(10) . . ?
F2 Sb3 F4 179.38(13) . . ?
F1 Sb3 F3 92.12(11) . . ?
F2 Sb3 F3 90.88(13) . . ?
F4 Sb3 F3 89.61(10) . . ?
F1 Sb3 F6 179.06(10) . . ?
F2 Sb3 F6 90.08(12) . . ?
F4 Sb3 F6 89.56(9) . . ?
F3 Sb3 F6 88.60(9) . . ?
F1 Sb3 F5 91.29(11) . . ?
F2 Sb3 F5 89.80(12) . . ?
F4 Sb3 F5 89.69(9) . . ?
F3 Sb3 F5 176.52(10) . . ?
F6 Sb3 F5 87.98(9) . . ?
O1S C1S C2S 122.8(3) . 2_655 ?
O1S C1S C2S 122.8(3) . . ?
C2S C1S C2S 114.5(6) 2_655 . ?
C1S C2S H2S1 109.5 . . ?
C1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
C1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
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
Pd1 Sb2 2.59300(15) . ?
Pd1 Sb2 2.59301(15) 5_666 ?
Pd1 Sb1 2.61426(16) . ?
Pd1 Sb1 2.61434(16) 5_666 ?
Fe1 C6 2.023(2) . ?
Fe1 C1 2.029(2) . ?
Fe1 C7 2.031(2) . ?
Fe1 C2 2.041(2) . ?
Fe1 C10 2.047(2) . ?
Fe1 C4 2.047(2) . ?
Fe1 C5 2.049(2) . ?
Fe1 C3 2.054(2) . ?
Fe1 C8 2.057(2) . ?
Fe1 C9 2.063(2) . ?
Sb1 C1 2.107(2) . ?
Sb1 C17 2.107(2) . ?
Sb1 C11 2.127(2) . ?
Sb2 C6 2.100(2) . ?
Sb2 C23 2.116(2) . ?
Sb2 C29 2.125(2) . ?
C1 C2 1.432(3) . ?
C1 C5 1.434(3) . ?
C2 C3 1.418(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.413(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.421(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C10 1.433(3) . ?
C6 C7 1.437(3) . ?
C7 C8 1.423(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.420(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.426(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.392(4) . ?
C11 C12 1.393(4) . ?
C12 C13 1.392(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.381(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.376(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.394(3) . ?
C17 C22 1.396(3) . ?
C18 C19 1.393(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.378(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.390(4) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.385(4) . ?
C23 C24 1.388(3) . ?
C24 C25 1.387(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.372(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.381(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(4) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C34 1.394(3) . ?
C29 C30 1.394(3) . ?
C30 C31 1.389(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.392(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.378(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.385(4) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
Sb3 F1 1.856(2) . ?
Sb3 F2 1.857(2) . ?
Sb3 F4 1.8656(18) . ?
Sb3 F3 1.872(2) . ?
Sb3 F6 1.8792(19) . ?
Sb3 F5 1.886(2) . ?
O1S C1S 1.218(7) . ?
C1S C2S 1.473(6) 2_655 ?
C1S C2S 1.473(6) . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 0.9800 . ?
