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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/7/71/19/7711953.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_7711953
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         'C38 H30 Fe O3 Pd Sb2'
_chemical_formula_sum            'C38 H30 Fe O3 Pd Sb2'
_chemical_formula_weight         940.37
_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     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                92.786(2)
_cell_angle_beta                 100.6030(10)
_cell_angle_gamma                113.2840(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2112(5)
_cell_length_b                   12.0289(6)
_cell_length_c                   14.7499(7)
_cell_measurement_reflns_used    9829
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.49
_cell_volume                     1620.92(14)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.15'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 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 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0177
_diffrn_reflns_av_unetI/netI     0.0140
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41150
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.502
_diffrn_reflns_theta_min         2.182
_exptl_absorpt_coefficient_mu    2.670
_exptl_absorpt_correction_T_max  0.82
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_description       prism
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.387
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7391
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0136
_refine_ls_R_factor_gt           0.0132
_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)+(0.0085P)²+1.2040P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0317
_refine_ls_wR_factor_ref         0.0320
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7248
_reflns_number_total             7391
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03770j3.cif
_cod_data_source_block           js684
_cod_depositor_comments
'Adding full bibliography for 7711945--7711966.cif.'
_cod_database_code               7711953
_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   0.380
_shelx_estimated_absorpt_t_max   0.815
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
Pd1 Pd 0.42424(2) 0.43322(2) 0.32453(2) 0.01388(3) Uani 1 1 d . . . . .
Fe1 Fe 0.82390(2) 0.65134(2) 0.18785(2) 0.01282(4) Uani 1 1 d . . . . .
Sb1 Sb 0.54742(2) 0.35422(2) 0.21718(2) 0.01378(3) Uani 1 1 d . . . . .
Sb2 Sb 0.58801(2) 0.66158(2) 0.34553(2) 0.01412(3) Uani 1 1 d . . . . .
C1 C 0.67624(15) 0.47532(12) 0.13752(10) 0.0152(3) Uani 1 1 d . . . . .
C2 C 0.81908(16) 0.49327(13) 0.12551(10) 0.0177(3) Uani 1 1 d . . . . .
H2 H 0.874106 0.449857 0.150926 0.021 Uiso 1 1 calc R U . . .
C3 C 0.86374(16) 0.58788(14) 0.06864(10) 0.0200(3) Uani 1 1 d . . . . .
H3 H 0.953755 0.617858 0.049171 0.024 Uiso 1 1 calc R U . . .
C4 C 0.75146(17) 0.62998(14) 0.04585(10) 0.0195(3) Uani 1 1 d . . . . .
H4 H 0.753197 0.692618 0.008649 0.023 Uiso 1 1 calc R U . . .
C5 C 0.63578(15) 0.56154(13) 0.08872(10) 0.0165(3) Uani 1 1 d . . . . .
H5 H 0.547185 0.571218 0.085603 0.020 Uiso 1 1 calc R U . . .
C6 C 0.79039(15) 0.72537(13) 0.30529(10) 0.0154(3) Uani 1 1 d . . . . .
C7 C 0.89868(15) 0.67709(13) 0.32906(10) 0.0162(3) Uani 1 1 d . . . . .
H7 H 0.892796 0.614840 0.367417 0.019 Uiso 1 1 calc R U . . .
C8 C 1.01629(15) 0.73831(13) 0.28544(10) 0.0185(3) Uani 1 1 d . . . . .
H8 H 1.102377 0.724333 0.289693 0.022 Uiso 1 1 calc R U . . .
C9 C 0.98163(16) 0.82428(13) 0.23427(10) 0.0196(3) Uani 1 1 d . . . . .
H9 H 1.040890 0.877641 0.198361 0.024 Uiso 1 1 calc R U . . .
C10 C 0.84300(16) 0.81665(13) 0.24608(10) 0.0182(3) Uani 1 1 d . . . . .
H10 H 0.793967 0.863868 0.219362 0.022 Uiso 1 1 calc R U . . .
C11 C 0.41539(15) 0.20491(13) 0.11081(10) 0.0156(3) Uani 1 1 d . . . . .
C12 C 0.27601(16) 0.12813(13) 0.12050(10) 0.0174(3) Uani 1 1 d . . . . .
H12 H 0.243825 0.140571 0.175060 0.021 Uiso 1 1 calc R U . . .
C13 C 0.18429(16) 0.03340(14) 0.05027(11) 0.0214(3) Uani 1 1 d . . . . .
H13 H 0.089279 -0.018388 0.056973 0.026 Uiso 1 1 calc R U . . .
C14 C 0.23018(18) 0.01393(15) -0.02928(11) 0.0250(3) Uani 1 1 d . . . . .
H14 H 0.166903 -0.050761 -0.077138 0.030 Uiso 1 1 calc R U . . .
C15 C 0.36922(19) 0.08945(15) -0.03877(11) 0.0256(3) Uani 1 1 d . . . . .
H15 H 0.401495 0.075730 -0.092989 0.031 Uiso 1 1 calc R U . . .
C16 C 0.46164(17) 0.18519(14) 0.03072(11) 0.0210(3) Uani 1 1 d . . . . .
H16 H 0.556301 0.237108 0.023544 0.025 Uiso 1 1 calc R U . . .
C17 C 0.69702(15) 0.28686(13) 0.28713(10) 0.0159(3) Uani 1 1 d . . . . .
C18 C 0.71840(17) 0.19090(14) 0.24559(11) 0.0212(3) Uani 1 1 d . . . . .
H18 H 0.671482 0.157728 0.182542 0.025 Uiso 1 1 calc R U . . .
C19 C 0.80844(18) 0.14358(15) 0.29638(13) 0.0262(3) Uani 1 1 d . . . . .
H19 H 0.822569 0.077813 0.267967 0.031 Uiso 1 1 calc R U . . .
C20 C 0.87755(18) 0.19180(16) 0.38806(13) 0.0283(4) Uani 1 1 d . . . . .
H20 H 0.939315 0.159356 0.422358 0.034 Uiso 1 1 calc R U . . .
C21 C 0.85677(18) 0.28763(17) 0.43008(12) 0.0271(3) Uani 1 1 d . . . . .
H21 H 0.904145 0.320761 0.493086 0.033 Uiso 1 1 calc R U . . .
C22 C 0.76655(16) 0.33474(14) 0.37965(11) 0.0206(3) Uani 1 1 d . . . . .
H22 H 0.752076 0.400115 0.408390 0.025 Uiso 1 1 calc R U . . .
C23 C 0.63763(16) 0.79877(13) 0.45909(10) 0.0167(3) Uani 1 1 d . . . . .
C24 C 0.77703(16) 0.89269(14) 0.48858(10) 0.0197(3) Uani 1 1 d . . . . .
H24 H 0.853750 0.894105 0.460054 0.024 Uiso 1 1 calc R U . . .
C25 C 0.80380(17) 0.98440(14) 0.55981(11) 0.0233(3) Uani 1 1 d . . . . .
H25 H 0.899073 1.047805 0.580417 0.028 Uiso 1 1 calc R U . . .
C26 C 0.69163(18) 0.98320(14) 0.60059(11) 0.0243(3) Uani 1 1 d . . . . .
H26 H 0.709727 1.046382 0.648641 0.029 Uiso 1 1 calc R U . . .
C27 C 0.55278(18) 0.88989(15) 0.57144(12) 0.0267(3) Uani 1 1 d . . . . .
H27 H 0.476029 0.889388 0.599568 0.032 Uiso 1 1 calc R U . . .
C28 C 0.52568(17) 0.79720(14) 0.50123(11) 0.0227(3) Uani 1 1 d . . . . .
H28 H 0.430858 0.732820 0.481982 0.027 Uiso 1 1 calc R U . . .
C29 C 0.46178(15) 0.72462(13) 0.24697(10) 0.0164(3) Uani 1 1 d . . . . .
C30 C 0.47431(17) 0.84473(14) 0.25596(11) 0.0202(3) Uani 1 1 d . . . . .
H30 H 0.545215 0.903125 0.305347 0.024 Uiso 1 1 calc R U . . .
C31 C 0.38278(18) 0.87870(15) 0.19246(12) 0.0238(3) Uani 1 1 d . . . . .
H31 H 0.391733 0.960530 0.198358 0.029 Uiso 1 1 calc R U . . .
C32 C 0.27846(18) 0.79357(15) 0.12054(11) 0.0239(3) Uani 1 1 d . . . . .
H32 H 0.216264 0.817237 0.077313 0.029 Uiso 1 1 calc R U . . .
C33 C 0.26486(17) 0.67389(15) 0.11167(11) 0.0223(3) Uani 1 1 d . . . . .
H33 H 0.193420 0.615638 0.062407 0.027 Uiso 1 1 calc R U . . .
C34 C 0.35576(16) 0.63944(14) 0.17486(10) 0.0185(3) Uani 1 1 d . . . . .
H34 H 0.345734 0.557310 0.168982 0.022 Uiso 1 1 calc R U . . .
C41 C 0.21455(16) 0.29914(14) 0.32831(11) 0.0202(3) Uani 1 1 d . . . . .
H41 H 0.214087 0.225248 0.343025 0.024 Uiso 1 1 d R U . . .
C42 C 0.24905(16) 0.40344(14) 0.39207(11) 0.0199(3) Uani 1 1 d . . . . .
H42 H 0.280870 0.414644 0.457905 0.024 Uiso 1 1 d R U . . .
C43 C 0.16972(17) 0.47242(14) 0.34894(11) 0.0217(3) Uani 1 1 d . . . . .
C44 C 0.11544(16) 0.30601(15) 0.24449(12) 0.0231(3) Uani 1 1 d . . . . .
O41 O 0.09566(12) 0.41392(11) 0.25872(8) 0.0242(2) Uani 1 1 d . . . . .
O42 O 0.15996(14) 0.56278(11) 0.37828(10) 0.0324(3) Uani 1 1 d . . . . .
O43 O 0.05407(13) 0.23840(12) 0.17337(9) 0.0352(3) Uani 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 0.0033 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'
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
C42 Pd1 C41 38.87(6) . . ?
C42 Pd1 Sb1 150.41(4) . . ?
C41 Pd1 Sb1 111.74(4) . . ?
C42 Pd1 Sb2 109.60(4) . . ?
C41 Pd1 Sb2 145.62(4) . . ?
Sb1 Pd1 Sb2 99.646(5) . . ?
C5 Fe1 C7 140.31(6) . . ?
C5 Fe1 C10 113.13(6) . . ?
C7 Fe1 C10 68.72(6) . . ?
C5 Fe1 C9 140.26(6) . . ?
C7 Fe1 C9 68.42(6) . . ?
C10 Fe1 C9 40.73(6) . . ?
C5 Fe1 C2 68.90(6) . . ?
C7 Fe1 C2 112.54(6) . . ?
C10 Fe1 C2 175.47(6) . . ?
C9 Fe1 C2 135.16(6) . . ?
C5 Fe1 C8 178.04(6) . . ?
C7 Fe1 C8 40.69(6) . . ?
C10 Fe1 C8 68.66(6) . . ?
C9 Fe1 C8 40.67(6) . . ?
C2 Fe1 C8 109.25(6) . . ?
C5 Fe1 C3 68.31(6) . . ?
C7 Fe1 C3 139.90(6) . . ?
C10 Fe1 C3 135.67(6) . . ?
C9 Fe1 C3 108.17(6) . . ?
C2 Fe1 C3 40.63(6) . . ?
C8 Fe1 C3 109.90(6) . . ?
C5 Fe1 C1 41.09(6) . . ?
C7 Fe1 C1 112.71(6) . . ?
C10 Fe1 C1 143.19(6) . . ?
C9 Fe1 C1 176.02(6) . . ?
C2 Fe1 C1 40.89(6) . . ?
C8 Fe1 C1 137.82(6) . . ?
C3 Fe1 C1 68.40(6) . . ?
C5 Fe1 C6 112.91(6) . . ?
C7 Fe1 C6 41.07(6) . . ?
C10 Fe1 C6 40.92(6) . . ?
C9 Fe1 C6 68.73(6) . . ?
C2 Fe1 C6 142.73(6) . . ?
C8 Fe1 C6 68.92(6) . . ?
C3 Fe1 C6 176.53(6) . . ?
C1 Fe1 C6 114.76(6) . . ?
C5 Fe1 C4 40.69(6) . . ?
C7 Fe1 C4 178.59(6) . . ?
C10 Fe1 C4 110.11(6) . . ?
C9 Fe1 C4 110.19(6) . . ?
C2 Fe1 C4 68.56(6) . . ?
C8 Fe1 C4 138.35(6) . . ?
C3 Fe1 C4 40.44(6) . . ?
C1 Fe1 C4 68.68(6) . . ?
C6 Fe1 C4 138.48(6) . . ?
C1 Sb1 C17 101.30(5) . . ?
C1 Sb1 C11 99.47(5) . . ?
C17 Sb1 C11 100.74(5) . . ?
C1 Sb1 Pd1 119.01(4) . . ?
C17 Sb1 Pd1 114.15(4) . . ?
C11 Sb1 Pd1 119.04(4) . . ?
C6 Sb2 C29 102.32(5) . . ?
C6 Sb2 C23 99.97(5) . . ?
C29 Sb2 C23 97.09(5) . . ?
C6 Sb2 Pd1 120.79(4) . . ?
C29 Sb2 Pd1 101.43(4) . . ?
C23 Sb2 Pd1 129.50(4) . . ?
C2 C1 C5 107.44(13) . . ?
C2 C1 Fe1 69.40(8) . . ?
C5 C1 Fe1 68.98(8) . . ?
C2 C1 Sb1 128.24(11) . . ?
C5 C1 Sb1 124.24(10) . . ?
Fe1 C1 Sb1 124.27(7) . . ?
C3 C2 C1 107.76(13) . . ?
C3 C2 Fe1 69.83(8) . . ?
C1 C2 Fe1 69.71(8) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Fe1 C2 H2 125.9 . . ?
C4 C3 C2 108.74(13) . . ?
C4 C3 Fe1 69.86(8) . . ?
C2 C3 Fe1 69.54(8) . . ?
C4 C3 H3 125.6 . . ?
C2 C3 H3 125.6 . . ?
Fe1 C3 H3 126.6 . . ?
C3 C4 C5 107.83(13) . . ?
C3 C4 Fe1 69.70(8) . . ?
C5 C4 Fe1 69.10(8) . . ?
C3 C4 H4 126.1 . . ?
C5 C4 H4 126.1 . . ?
Fe1 C4 H4 126.7 . . ?
C4 C5 C1 108.21(13) . . ?
C4 C5 Fe1 70.21(8) . . ?
C1 C5 Fe1 69.93(8) . . ?
C4 C5 H5 125.9 . . ?
C1 C5 H5 125.9 . . ?
Fe1 C5 H5 125.6 . . ?
C10 C6 C7 107.11(12) . . ?
C10 C6 Fe1 69.32(8) . . ?
C7 C6 Fe1 69.13(8) . . ?
C10 C6 Sb2 128.07(11) . . ?
C7 C6 Sb2 124.71(10) . . ?
Fe1 C6 Sb2 123.79(7) . . ?
C8 C7 C6 108.53(13) . . ?
C8 C7 Fe1 69.94(8) . . ?
C6 C7 Fe1 69.80(8) . . ?
C8 C7 H7 125.7 . . ?
C6 C7 H7 125.7 . . ?
Fe1 C7 H7 126.1 . . ?
C7 C8 C9 107.74(13) . . ?
C7 C8 Fe1 69.36(8) . . ?
C9 C8 Fe1 69.51(8) . . ?
C7 C8 H8 126.1 . . ?
C9 C8 H8 126.1 . . ?
Fe1 C8 H8 126.6 . . ?
C8 C9 C10 108.45(13) . . ?
C8 C9 Fe1 69.82(8) . . ?
C10 C9 Fe1 69.62(8) . . ?
C8 C9 H9 125.8 . . ?
C10 C9 H9 125.8 . . ?
Fe1 C9 H9 126.4 . . ?
C9 C10 C6 108.17(13) . . ?
C9 C10 Fe1 69.65(8) . . ?
C6 C10 Fe1 69.76(8) . . ?
C9 C10 H10 125.9 . . ?
C6 C10 H10 125.9 . . ?
Fe1 C10 H10 126.2 . . ?
C16 C11 C12 119.45(13) . . ?
C16 C11 Sb1 122.02(11) . . ?
C12 C11 Sb1 118.48(11) . . ?
C13 C12 C11 119.97(14) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 C12 120.57(14) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 119.61(14) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C16 120.36(15) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C15 C16 C11 120.04(14) . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
C18 C17 C22 119.44(14) . . ?
C18 C17 Sb1 121.96(11) . . ?
C22 C17 Sb1 118.42(11) . . ?
C19 C18 C17 119.98(15) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C18 120.30(15) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.10(15) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 119.71(15) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C17 120.48(15) . . ?
C21 C22 H22 119.8 . . ?
C17 C22 H22 119.8 . . ?
C28 C23 C24 119.70(13) . . ?
C28 C23 Sb2 118.72(11) . . ?
C24 C23 Sb2 121.50(11) . . ?
C25 C24 C23 120.02(14) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 120.00(14) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 120.14(14) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C26 C27 C28 120.19(15) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C23 119.94(14) . . ?
C27 C28 H28 120.0 . . ?
C23 C28 H28 120.0 . . ?
C34 C29 C30 119.41(13) . . ?
C34 C29 Sb2 117.92(10) . . ?
C30 C29 Sb2 122.50(11) . . ?
C31 C30 C29 119.88(14) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C32 C31 C30 120.28(14) . . ?
C32 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C31 C32 C33 120.08(14) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 119.90(15) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C29 120.44(14) . . ?
C33 C34 H34 119.8 . . ?
C29 C34 H34 119.8 . . ?
C42 C41 C44 106.68(13) . . ?
C42 C41 Pd1 70.51(9) . . ?
C44 C41 Pd1 105.09(10) . . ?
C42 C41 H41 126.3 . . ?
C44 C41 H41 121.3 . . ?
Pd1 C41 H41 114.2 . . ?
C41 C42 C43 107.61(13) . . ?
C41 C42 Pd1 70.62(8) . . ?
C43 C42 Pd1 106.42(10) . . ?
C41 C42 H42 128.3 . . ?
C43 C42 H42 119.5 . . ?
Pd1 C42 H42 111.8 . . ?
O42 C43 O41 120.38(14) . . ?
O42 C43 C42 131.31(16) . . ?
O41 C43 C42 108.31(13) . . ?
O43 C44 O41 119.82(15) . . ?
O43 C44 C41 131.90(16) . . ?
O41 C44 C41 108.27(13) . . ?
C43 O41 C44 108.96(12) . . ?
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 C42 2.1226(15) . ?
Pd1 C41 2.1240(15) . ?
Pd1 Sb1 2.55416(16) . ?
Pd1 Sb2 2.55603(18) . ?
Fe1 C5 2.0414(14) . ?
Fe1 C7 2.0451(14) . ?
Fe1 C10 2.0483(14) . ?
Fe1 C9 2.0487(14) . ?
Fe1 C2 2.0500(14) . ?
Fe1 C8 2.0528(14) . ?
Fe1 C3 2.0539(15) . ?
Fe1 C1 2.0541(14) . ?
Fe1 C6 2.0541(14) . ?
Fe1 C4 2.0560(14) . ?
Sb1 C1 2.1102(14) . ?
Sb1 C17 2.1295(14) . ?
Sb1 C11 2.1303(14) . ?
Sb2 C6 2.1104(14) . ?
Sb2 C29 2.1308(14) . ?
Sb2 C23 2.1315(14) . ?
C1 C2 1.434(2) . ?
C1 C5 1.437(2) . ?
C2 C3 1.425(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.420(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.425(2) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C10 1.434(2) . ?
C6 C7 1.438(2) . ?
C7 C8 1.425(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.425(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.426(2) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.393(2) . ?
C11 C12 1.396(2) . ?
C12 C13 1.390(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.383(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(2) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.391(2) . ?
C17 C22 1.393(2) . ?
C18 C19 1.390(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.389(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(2) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.392(2) . ?
C23 C24 1.395(2) . ?
C24 C25 1.392(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.384(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.388(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.389(2) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C34 1.395(2) . ?
C29 C30 1.396(2) . ?
C30 C31 1.391(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.387(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.388(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.388(2) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C41 C42 1.413(2) . ?
C41 C44 1.475(2) . ?
C41 H41 0.9235 . ?
C42 C43 1.464(2) . ?
C42 H42 0.9503 . ?
C43 O42 1.198(2) . ?
C43 O41 1.3985(19) . ?
C44 O43 1.195(2) . ?
C44 O41 1.4021(19) . ?
