#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:51:52 +0300 (Fri, 05 May 2023) $
#$Revision: 283261 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/19/7711961.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_7711961
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         'C54 H58 Cl4 Fe Rh2 Sb2, 2(C H2 Cl2)'
_chemical_formula_sum            'C56 H62 Cl8 Fe Rh2 Sb2'
_chemical_formula_weight         1523.82
_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                95.650(2)
_cell_angle_beta                 107.2080(10)
_cell_angle_gamma                109.8750(10)
_cell_formula_units_Z            2
_cell_length_a                   12.6197(5)
_cell_length_b                   15.2205(6)
_cell_length_c                   17.2276(7)
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.56
_cell_volume                     2898.8(2)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.10'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_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 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON 100 CMOS'
_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  0.0294
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            58547
_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         27.545
_diffrn_reflns_theta_min         2.135
_exptl_absorpt_coefficient_mu    2.126
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_description       plate
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.150
_refine_diff_density_min         -1.613
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     636
_refine_ls_number_reflns         13359
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0240P)²+7.1306P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0630
_refine_ls_wR_factor_ref         0.0663
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11620
_reflns_number_total             13359
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03770j3.cif
_cod_data_source_block           ja4
_cod_depositor_comments
'Adding full bibliography for 7711945--7711966.cif.'
_cod_database_code               7711961
_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   0.755
_shelx_estimated_absorpt_t_max   0.865
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 0.71100(2) 0.00974(2) 0.73963(2) 0.01212(5) Uani 1 1 d . . . . .
Sb2 Sb 0.75542(2) 0.48799(2) 0.77030(2) 0.01358(5) Uani 1 1 d . . . . .
Rh1 Rh 0.54790(2) -0.04132(2) 0.80559(2) 0.01259(5) Uani 1 1 d . . . . .
Rh2 Rh 0.56848(2) 0.45838(2) 0.81130(2) 0.01461(5) Uani 1 1 d . . . . .
Fe Fe 0.81236(4) 0.26706(3) 0.73027(2) 0.01326(9) Uani 1 1 d . . . . .
Cl1 Cl 0.66051(7) 0.10823(5) 0.90649(4) 0.02009(15) Uani 1 1 d . . . . .
Cl2 Cl 0.66963(7) -0.11734(6) 0.88317(5) 0.02513(17) Uani 1 1 d . . . . .
Cl3 Cl 0.47423(7) 0.31386(5) 0.70520(4) 0.02020(15) Uani 1 1 d . . . . .
Cl4 Cl 0.52172(8) 0.55212(6) 0.71286(5) 0.02467(17) Uani 1 1 d . . . . .
C1 C 0.7229(3) 0.1241(2) 0.67786(17) 0.0144(6) Uani 1 1 d . . . . .
C2 C 0.6402(3) 0.1710(2) 0.66651(19) 0.0182(6) Uani 1 1 d . . . . .
H2 H 0.574929 0.157112 0.686321 0.022 Uiso 1 1 calc R U . . .
C3 C 0.6724(3) 0.2416(2) 0.62078(19) 0.0206(6) Uani 1 1 d . . . . .
H3 H 0.631955 0.282870 0.604243 0.025 Uiso 1 1 calc R U . . .
C4 C 0.7752(3) 0.2404(2) 0.60381(19) 0.0219(7) Uani 1 1 d . . . . .
H4 H 0.815808 0.280810 0.574217 0.026 Uiso 1 1 calc R U . . .
C5 C 0.8071(3) 0.1679(2) 0.63891(18) 0.0177(6) Uani 1 1 d . . . . .
H5 H 0.872660 0.151599 0.636840 0.021 Uiso 1 1 calc R U . . .
C6 C 0.8502(3) 0.3979(2) 0.80007(18) 0.0157(6) Uani 1 1 d . . . . .
C7 C 0.9524(3) 0.3968(2) 0.7803(2) 0.0205(6) Uani 1 1 d . . . . .
H7 H 0.991249 0.437347 0.749988 0.025 Uiso 1 1 calc R U . . .
C8 C 0.9855(3) 0.3239(2) 0.8142(2) 0.0240(7) Uani 1 1 d . . . . .
H8 H 1.050216 0.307373 0.810522 0.029 Uiso 1 1 calc R U . . .
C9 C 0.9040(3) 0.2806(2) 0.85449(19) 0.0234(7) Uani 1 1 d . . . . .
H9 H 0.905491 0.230296 0.882852 0.028 Uiso 1 1 calc R U . . .
C10 C 0.8202(3) 0.3251(2) 0.84515(18) 0.0185(6) Uani 1 1 d . . . . .
H10 H 0.755327 0.309192 0.865433 0.022 Uiso 1 1 calc R U . . .
C11 C 0.6917(3) -0.1011(2) 0.64411(18) 0.0147(6) Uani 1 1 d . . . . .
C12 C 0.6789(3) -0.0909(2) 0.56292(19) 0.0223(7) Uani 1 1 d . . . . .
H12 H 0.681107 -0.031965 0.548264 0.027 Uiso 1 1 calc R U . . .
C13 C 0.6630(3) -0.1677(2) 0.5029(2) 0.0266(7) Uani 1 1 d . . . . .
H13 H 0.653439 -0.161112 0.447258 0.032 Uiso 1 1 calc R U . . .
C14 C 0.6610(3) -0.2534(2) 0.5243(2) 0.0230(7) Uani 1 1 d . . . . .
H14 H 0.651081 -0.305229 0.483569 0.028 Uiso 1 1 calc R U . . .
C15 C 0.6734(3) -0.2637(2) 0.6050(2) 0.0229(7) Uani 1 1 d . . . . .
H15 H 0.672076 -0.322549 0.619505 0.027 Uiso 1 1 calc R U . . .
C16 C 0.6879(3) -0.1882(2) 0.66491(19) 0.0204(6) Uani 1 1 d . . . . .
H16 H 0.695321 -0.195877 0.720080 0.025 Uiso 1 1 calc R U . . .
C17 C 0.8944(3) 0.0448(2) 0.81234(18) 0.0154(6) Uani 1 1 d . . . . .
C18 C 0.9347(3) 0.0640(2) 0.89922(19) 0.0182(6) Uani 1 1 d . . . . .
H18 H 0.879524 0.059573 0.927486 0.022 Uiso 1 1 calc R U . . .
C19 C 1.0564(3) 0.0897(2) 0.94428(19) 0.0200(6) Uani 1 1 d . . . . .
H19 H 1.083925 0.102763 1.003434 0.024 Uiso 1 1 calc R U . . .
C20 C 1.1371(3) 0.0964(2) 0.9038(2) 0.0243(7) Uani 1 1 d . . . . .
H20 H 1.220038 0.114358 0.934936 0.029 Uiso 1 1 calc R U . . .
C21 C 1.0965(3) 0.0766(3) 0.8173(2) 0.0294(8) Uani 1 1 d . . . . .
H21 H 1.151922 0.080646 0.789278 0.035 Uiso 1 1 calc R U . . .
C22 C 0.9756(3) 0.0510(2) 0.7715(2) 0.0235(7) Uani 1 1 d . . . . .
H22 H 0.948472 0.037843 0.712326 0.028 Uiso 1 1 calc R U . . .
C23 C 0.8933(3) 0.6262(2) 0.83044(18) 0.0190(6) Uani 1 1 d . . . . .
C24 C 0.8659(3) 0.7060(2) 0.8166(2) 0.0282(8) Uani 1 1 d . . . . .
H24 H 0.788174 0.697659 0.780611 0.034 Uiso 1 1 calc R U . . .
C25 C 0.9521(3) 0.7977(2) 0.8556(2) 0.0306(8) Uani 1 1 d . . . . .
H25 H 0.933451 0.851911 0.845655 0.037 Uiso 1 1 calc R U . . .
C26 C 1.0652(3) 0.8102(2) 0.9089(2) 0.0267(7) Uani 1 1 d . . . . .
H26 H 1.124251 0.872950 0.935106 0.032 Uiso 1 1 calc R U . . .
C27 C 1.0917(3) 0.7312(2) 0.9237(2) 0.0256(7) Uani 1 1 d . . . . .
H27 H 1.168705 0.739939 0.961158 0.031 Uiso 1 1 calc R U . . .
C28 C 1.0070(3) 0.6390(2) 0.88448(19) 0.0225(7) Uani 1 1 d . . . . .
H28 H 1.026414 0.585106 0.894426 0.027 Uiso 1 1 calc R U . . .
C29 C 0.7432(3) 0.4928(2) 0.64517(18) 0.0177(6) Uani 1 1 d . . . . .
C30 C 0.6331(3) 0.4573(2) 0.58049(18) 0.0190(6) Uani 1 1 d . . . . .
H30 H 0.560747 0.431455 0.591792 0.023 Uiso 1 1 calc R U . . .
C31 C 0.6283(3) 0.4594(2) 0.4989(2) 0.0254(7) Uani 1 1 d . . . . .
H31 H 0.552570 0.435389 0.454815 0.030 Uiso 1 1 calc R U . . .
C32 C 0.7325(4) 0.4959(3) 0.4819(2) 0.0386(9) Uani 1 1 d . . . . .
H32 H 0.728961 0.496027 0.426035 0.046 Uiso 1 1 calc R U . . .
C33 C 0.8435(4) 0.5328(4) 0.5469(3) 0.0529(13) Uani 1 1 d . . . . .
H33 H 0.915604 0.558778 0.535336 0.063 Uiso 1 1 calc R U . . .
C34 C 0.8489(3) 0.5318(3) 0.6286(2) 0.0369(9) Uani 1 1 d . . . . .
H34 H 0.924542 0.557737 0.672963 0.044 Uiso 1 1 calc R U . . .
C35 C 0.3828(3) -0.1469(2) 0.8112(2) 0.0205(6) Uani 1 1 d . . . . .
C36 C 0.3764(3) -0.0556(2) 0.82126(19) 0.0188(6) Uani 1 1 d . . . . .
C37 C 0.3847(3) -0.0194(2) 0.74735(19) 0.0171(6) Uani 1 1 d . . . . .
C38 C 0.3931(3) -0.0907(2) 0.69143(19) 0.0190(6) Uani 1 1 d . . . . .
C39 C 0.3961(3) -0.1686(2) 0.7313(2) 0.0216(7) Uani 1 1 d . . . . .
C40 C 0.3763(3) -0.2108(3) 0.8714(2) 0.0312(8) Uani 1 1 d . . . . .
H40A H 0.376055 -0.177077 0.922776 0.047 Uiso 1 1 calc R U . . .
H40B H 0.446309 -0.228559 0.884169 0.047 Uiso 1 1 calc R U . . .
H40C H 0.302432 -0.268710 0.846815 0.047 Uiso 1 1 calc R U . . .
C41 C 0.3627(3) -0.0045(2) 0.8933(2) 0.0254(7) Uani 1 1 d . . . . .
H41A H 0.279620 -0.008727 0.878387 0.038 Uiso 1 1 calc R U . . .
H41B H 0.417841 0.062876 0.908256 0.038 Uiso 1 1 calc R U . . .
H41C H 0.381459 -0.034095 0.940904 0.038 Uiso 1 1 calc R U . . .
C42 C 0.3692(3) 0.0705(2) 0.7300(2) 0.0265(7) Uani 1 1 d . . . . .
H42A H 0.386775 0.083410 0.679551 0.040 Uiso 1 1 calc R U . . .
H42B H 0.424613 0.124063 0.777227 0.040 Uiso 1 1 calc R U . . .
H42C H 0.286173 0.063139 0.721793 0.040 Uiso 1 1 calc R U . . .
C43 C 0.3888(3) -0.0878(3) 0.6039(2) 0.0304(8) Uani 1 1 d . . . . .
H43A H 0.304780 -0.112379 0.566319 0.046 Uiso 1 1 calc R U . . .
H43B H 0.428767 -0.127612 0.587336 0.046 Uiso 1 1 calc R U . . .
H43C H 0.430172 -0.021620 0.600779 0.046 Uiso 1 1 calc R U . . .
C44 C 0.3984(3) -0.2609(2) 0.6950(3) 0.0348(9) Uani 1 1 d . . . . .
H44A H 0.317044 -0.310891 0.675246 0.052 Uiso 1 1 calc R U . . .
H44B H 0.452450 -0.279393 0.737706 0.052 Uiso 1 1 calc R U . . .
H44C H 0.427277 -0.252916 0.648190 0.052 Uiso 1 1 calc R U . . .
C45 C 0.5631(3) 0.3978(2) 0.91890(18) 0.0183(6) Uani 1 1 d . . . . .
C46 C 0.6568(3) 0.4923(2) 0.94505(19) 0.0259(7) Uani 1 1 d . . . . .
C47 C 0.5968(4) 0.5571(2) 0.9196(2) 0.0347(9) Uani 1 1 d . . . . .
C48 C 0.4702(4) 0.5028(3) 0.8830(2) 0.0309(8) Uani 1 1 d . . . . .
C49 C 0.4491(3) 0.4068(3) 0.88223(19) 0.0252(7) Uani 1 1 d . . . . .
C50 C 0.5751(4) 0.3063(2) 0.9340(2) 0.0294(8) Uani 1 1 d . . . . .
H50A H 0.659451 0.318998 0.965110 0.044 Uiso 1 1 calc R U . . .
H50B H 0.548313 0.261716 0.880487 0.044 Uiso 1 1 calc R U . . .
H50C H 0.525286 0.277890 0.966287 0.044 Uiso 1 1 calc R U . . .
C51 C 0.7855(3) 0.5191(3) 0.9928(2) 0.0420(10) Uani 1 1 d . . . . .
H51A H 0.799401 0.533056 1.052591 0.063 Uiso 1 1 calc R U . . .
H51B H 0.833581 0.576119 0.978146 0.063 Uiso 1 1 calc R U . . .
H51C H 0.809050 0.466081 0.979521 0.063 Uiso 1 1 calc R U . . .
C52 C 0.6551(5) 0.6642(3) 0.9332(3) 0.0475(12) Uani 1 1 d . . . . .
H52A H 0.628387 0.683425 0.880506 0.071 Uiso 1 1 calc R U . . .
H52B H 0.742756 0.684352 0.953064 0.071 Uiso 1 1 calc R U . . .
H52C H 0.632023 0.694592 0.974708 0.071 Uiso 1 1 calc R U . . .
C53 C 0.3755(4) 0.5423(3) 0.8495(3) 0.0462(11) Uani 1 1 d . . . . .
H53A H 0.298740 0.489380 0.816907 0.069 Uiso 1 1 calc R U . . .
H53B H 0.400071 0.585525 0.813904 0.069 Uiso 1 1 calc R U . . .
H53C H 0.366037 0.577535 0.896070 0.069 Uiso 1 1 calc R U . . .
C54 C 0.3294(3) 0.3226(3) 0.8465(2) 0.0404(10) Uani 1 1 d . . . . .
H54A H 0.300771 0.303669 0.891733 0.061 Uiso 1 1 calc R U . . .
H54B H 0.338917 0.268804 0.817331 0.061 Uiso 1 1 calc R U . . .
H54C H 0.270747 0.340800 0.807280 0.061 Uiso 1 1 calc R U . . .
C1S C 0.0114(8) -0.1691(8) 0.6675(5) 0.130(4) Uani 1 1 d D . . . .
H1S1 H -0.073968 -0.214143 0.646838 0.156 Uiso 1 1 d R U . . .
H1S2 H 0.027400 -0.130391 0.722472 0.156 Uiso 1 1 d R U . . .
Cl1S Cl 0.0253(2) -0.09430(19) 0.60234(12) 0.1172(7) Uani 1 1 d . . . . .
Cl2S Cl 0.0959(2) -0.2360(2) 0.6837(3) 0.1229(14) Uani 0.750(5) 1 d . . P . .
Cl2D Cl 0.0757(7) -0.2417(7) 0.6171(9) 0.1229(14) Uani 0.250(5) 1 d D . P . .
C2S C 0.1713(5) 0.2883(5) 0.6058(3) 0.0702(18) Uani 1 1 d . . . . .
H2S1 H 0.154368 0.282279 0.545175 0.084 Uiso 1 1 calc R U . . .
H2S2 H 0.259493 0.320762 0.634672 0.084 Uiso 1 1 calc R U . . .
Cl3S Cl 0.09994(12) 0.35895(13) 0.63892(9) 0.0723(4) Uani 1 1 d . . . . .
Cl4S Cl 0.12154(13) 0.17333(13) 0.62662(9) 0.0773(4) 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'
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'
Rh Rh -1.1178 0.9187 '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
C1 Sb1 C17 102.06(11) . . ?
C1 Sb1 C11 101.40(11) . . ?
C17 Sb1 C11 98.15(11) . . ?
C1 Sb1 Rh1 118.46(8) . . ?
C17 Sb1 Rh1 120.20(8) . . ?
C11 Sb1 Rh1 113.19(8) . . ?
C6 Sb2 C29 102.87(11) . . ?
C6 Sb2 C23 101.70(12) . . ?
C29 Sb2 C23 98.71(12) . . ?
C6 Sb2 Rh2 117.82(8) . . ?
C29 Sb2 Rh2 120.00(8) . . ?
C23 Sb2 Rh2 112.67(9) . . ?
C39 Rh1 C37 65.18(12) . . ?
C39 Rh1 C38 38.85(12) . . ?
C37 Rh1 C38 38.67(12) . . ?
C39 Rh1 C35 39.19(12) . . ?
C37 Rh1 C35 64.40(11) . . ?
C38 Rh1 C35 64.70(12) . . ?
C39 Rh1 C36 64.75(12) . . ?
C37 Rh1 C36 38.93(11) . . ?
C38 Rh1 C36 64.67(12) . . ?
C35 Rh1 C36 37.60(11) . . ?
C39 Rh1 Cl1 158.46(9) . . ?
C37 Rh1 Cl1 99.18(8) . . ?
C38 Rh1 Cl1 134.22(9) . . ?
C35 Rh1 Cl1 121.79(9) . . ?
C36 Rh1 Cl1 93.74(8) . . ?
C39 Rh1 Cl2 97.86(9) . . ?
C37 Rh1 Cl2 156.43(8) . . ?
C38 Rh1 Cl2 133.66(9) . . ?
C35 Rh1 Cl2 92.07(8) . . ?
C36 Rh1 Cl2 120.15(8) . . ?
Cl1 Rh1 Cl2 92.08(3) . . ?
C39 Rh1 Sb1 112.60(9) . . ?
C37 Rh1 Sb1 116.72(8) . . ?
C38 Rh1 Sb1 97.45(8) . . ?
C35 Rh1 Sb1 150.85(9) . . ?
C36 Rh1 Sb1 155.47(8) . . ?
Cl1 Rh1 Sb1 87.30(2) . . ?
Cl2 Rh1 Sb1 84.25(2) . . ?
C47 Rh2 C45 65.19(12) . . ?
C47 Rh2 C46 39.75(14) . . ?
C45 Rh2 C46 38.91(12) . . ?
C47 Rh2 C48 38.43(15) . . ?
C45 Rh2 C48 64.12(12) . . ?
C46 Rh2 C48 65.16(14) . . ?
C47 Rh2 C49 63.55(14) . . ?
C45 Rh2 C49 38.82(12) . . ?
C46 Rh2 C49 64.74(13) . . ?
C48 Rh2 C49 36.82(13) . . ?
C47 Rh2 Cl4 96.86(10) . . ?
C45 Rh2 Cl4 155.48(8) . . ?
C46 Rh2 Cl4 133.24(10) . . ?
C48 Rh2 Cl4 91.40(9) . . ?
C49 Rh2 Cl4 119.25(9) . . ?
C47 Rh2 Cl3 158.05(11) . . ?
C45 Rh2 Cl3 99.50(8) . . ?
C46 Rh2 Cl3 134.46(9) . . ?
C48 Rh2 Cl3 121.73(11) . . ?
C49 Rh2 Cl3 94.58(10) . . ?
Cl4 Rh2 Cl3 92.27(3) . . ?
C47 Rh2 Sb2 114.40(12) . . ?
C45 Rh2 Sb2 117.85(8) . . ?
C46 Rh2 Sb2 98.20(10) . . ?
C48 Rh2 Sb2 151.81(11) . . ?
C49 Rh2 Sb2 156.51(9) . . ?
Cl4 Rh2 Sb2 84.11(2) . . ?
Cl3 Rh2 Sb2 86.31(2) . . ?
C7 Fe C5 122.40(13) . . ?
C7 Fe C1 159.05(12) . . ?
C5 Fe C1 41.12(12) . . ?
C7 Fe C2 158.26(12) . . ?
C5 Fe C2 68.79(12) . . ?
C1 Fe C2 41.05(11) . . ?
C7 Fe C6 41.08(12) . . ?
C5 Fe C6 159.45(12) . . ?
C1 Fe C6 158.27(12) . . ?
C2 Fe C6 122.49(12) . . ?
C7 Fe C10 68.80(13) . . ?
C5 Fe C10 157.93(12) . . ?
C1 Fe C10 122.10(12) . . ?
C2 Fe C10 108.04(13) . . ?
C6 Fe C10 40.78(11) . . ?
C7 Fe C8 40.94(12) . . ?
C5 Fe C8 106.53(13) . . ?
C1 Fe C8 122.55(12) . . ?
C2 Fe C8 159.71(13) . . ?
C6 Fe C8 68.80(12) . . ?
C10 Fe C8 68.46(13) . . ?
C7 Fe C4 107.09(13) . . ?
C5 Fe C4 40.76(12) . . ?
C1 Fe C4 68.74(12) . . ?
C2 Fe C4 68.16(13) . . ?
C6 Fe C4 123.48(12) . . ?
C10 Fe C4 160.15(12) . . ?
C8 Fe C4 121.99(14) . . ?
C7 Fe C9 68.41(13) . . ?
C5 Fe C9 121.98(12) . . ?
C1 Fe C9 107.30(12) . . ?
C2 Fe C9 124.02(13) . . ?
C6 Fe C9 68.27(12) . . ?
C10 Fe C9 40.41(12) . . ?
C8 Fe C9 40.47(14) . . ?
C4 Fe C9 157.89(14) . . ?
C7 Fe C3 122.47(13) . . ?
C5 Fe C3 68.29(12) . . ?
C1 Fe C3 68.46(11) . . ?
C2 Fe C3 40.30(12) . . ?
C6 Fe C3 108.15(12) . . ?
C10 Fe C3 124.32(13) . . ?
C8 Fe C3 158.08(14) . . ?
C4 Fe C3 40.30(13) . . ?
C9 Fe C3 160.36(14) . . ?
C2 C1 C5 107.2(3) . . ?
C2 C1 Fe 69.56(16) . . ?
C5 C1 Fe 69.41(16) . . ?
C2 C1 Sb1 123.4(2) . . ?
C5 C1 Sb1 129.4(2) . . ?
Fe C1 Sb1 127.17(14) . . ?
C3 C2 C1 108.4(3) . . ?
C3 C2 Fe 70.53(17) . . ?
C1 C2 Fe 69.39(16) . . ?
C3 C2 H2 125.8 . . ?
C1 C2 H2 125.8 . . ?
Fe C2 H2 125.8 . . ?
C2 C3 C4 108.4(3) . . ?
C2 C3 Fe 69.17(17) . . ?
C4 C3 Fe 69.63(17) . . ?
C2 C3 H3 125.8 . . ?
C4 C3 H3 125.8 . . ?
Fe C3 H3 127.0 . . ?
C3 C4 C5 108.1(3) . . ?
C3 C4 Fe 70.08(17) . . ?
C5 C4 Fe 69.05(17) . . ?
C3 C4 H4 126.0 . . ?
C5 C4 H4 126.0 . . ?
Fe C4 H4 126.5 . . ?
C4 C5 C1 107.9(3) . . ?
C4 C5 Fe 70.19(17) . . ?
C1 C5 Fe 69.48(16) . . ?
C4 C5 H5 126.0 . . ?
C1 C5 H5 126.0 . . ?
Fe C5 H5 125.9 . . ?
C10 C6 C7 107.7(3) . . ?
C10 C6 Fe 69.64(16) . . ?
C7 C6 Fe 69.21(17) . . ?
C10 C6 Sb2 124.0(2) . . ?
C7 C6 Sb2 128.3(2) . . ?
Fe C6 Sb2 126.44(14) . . ?
C8 C7 C6 107.9(3) . . ?
C8 C7 Fe 70.03(18) . . ?
C6 C7 Fe 69.71(17) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
Fe C7 H7 125.8 . . ?
C9 C8 C7 107.7(3) . . ?
C9 C8 Fe 70.09(18) . . ?
C7 C8 Fe 69.03(17) . . ?
C9 C8 H8 126.1 . . ?
C7 C8 H8 126.1 . . ?
Fe C8 H8 126.3 . . ?
C10 C9 C8 108.5(3) . . ?
C10 C9 Fe 69.24(17) . . ?
C8 C9 Fe 69.44(17) . . ?
C10 C9 H9 125.8 . . ?
C8 C9 H9 125.8 . . ?
Fe C9 H9 127.1 . . ?
C9 C10 C6 108.2(3) . . ?
C9 C10 Fe 70.35(17) . . ?
C6 C10 Fe 69.58(17) . . ?
C9 C10 H10 125.9 . . ?
C6 C10 H10 125.9 . . ?
Fe C10 H10 125.8 . . ?
C12 C11 C16 119.6(3) . . ?
C12 C11 Sb1 123.0(2) . . ?
C16 C11 Sb1 117.4(2) . . ?
C11 C12 C13 119.8(3) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C12 120.2(3) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C15 C14 C13 120.1(3) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.3(3) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C11 120.0(3) . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
C22 C17 C18 119.8(3) . . ?
C22 C17 Sb1 118.5(2) . . ?
C18 C17 Sb1 121.7(2) . . ?
C19 C18 C17 119.7(3) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 C18 120.6(3) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C19 C20 C21 119.6(3) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C22 C21 C20 120.5(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C17 119.8(3) . . ?
C21 C22 H22 120.1 . . ?
C17 C22 H22 120.1 . . ?
C24 C23 C28 119.6(3) . . ?
C24 C23 Sb2 117.8(2) . . ?
C28 C23 Sb2 122.5(2) . . ?
C25 C24 C23 120.0(3) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 120.3(3) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C27 C26 C25 119.7(3) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 120.8(3) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C27 C28 C23 119.6(3) . . ?
C27 C28 H28 120.2 . . ?
C23 C28 H28 120.2 . . ?
C30 C29 C34 119.8(3) . . ?
C30 C29 Sb2 121.5(2) . . ?
C34 C29 Sb2 118.6(2) . . ?
C29 C30 C31 120.1(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C32 C31 C30 120.4(3) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C31 C32 C33 119.7(3) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C34 C33 C32 120.2(4) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C29 C34 C33 119.7(3) . . ?
C29 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C36 C35 C39 108.3(3) . . ?
C36 C35 C40 126.3(3) . . ?
C39 C35 C40 125.4(3) . . ?
C36 C35 Rh1 71.51(17) . . ?
C39 C35 Rh1 68.63(17) . . ?
C40 C35 Rh1 125.9(2) . . ?
C35 C36 C37 107.9(3) . . ?
C35 C36 C41 127.1(3) . . ?
C37 C36 C41 125.0(3) . . ?
C35 C36 Rh1 70.89(17) . . ?
C37 C36 Rh1 69.10(16) . . ?
C41 C36 Rh1 125.9(2) . . ?
C38 C37 C36 108.0(3) . . ?
C38 C37 C42 127.1(3) . . ?
C36 C37 C42 124.4(3) . . ?
C38 C37 Rh1 70.78(16) . . ?
C36 C37 Rh1 71.97(16) . . ?
C42 C37 Rh1 129.3(2) . . ?
C37 C38 C39 108.1(3) . . ?
C37 C38 C43 125.7(3) . . ?
C39 C38 C43 126.0(3) . . ?
C37 C38 Rh1 70.55(16) . . ?
C39 C38 Rh1 69.81(17) . . ?
C43 C38 Rh1 129.1(2) . . ?
C38 C39 C35 107.7(3) . . ?
C38 C39 C44 127.0(3) . . ?
C35 C39 C44 125.0(3) . . ?
C38 C39 Rh1 71.35(17) . . ?
C35 C39 Rh1 72.18(17) . . ?
C44 C39 Rh1 127.1(2) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C49 108.0(3) . . ?
C46 C45 C50 127.6(3) . . ?
C49 C45 C50 124.1(3) . . ?
C46 C45 Rh2 70.68(17) . . ?
C49 C45 Rh2 72.27(17) . . ?
C50 C45 Rh2 127.8(2) . . ?
C45 C46 C47 105.8(3) . . ?
C45 C46 C51 127.1(3) . . ?
C47 C46 C51 127.0(3) . . ?
C45 C46 Rh2 70.41(17) . . ?
C47 C46 Rh2 69.15(18) . . ?
C51 C46 Rh2 128.1(2) . . ?
C48 C47 C46 108.7(3) . . ?
C48 C47 C52 124.4(4) . . ?
C46 C47 C52 126.8(4) . . ?
C48 C47 Rh2 73.16(19) . . ?
C46 C47 Rh2 71.10(18) . . ?
C52 C47 Rh2 124.3(2) . . ?
C49 C48 C47 108.4(3) . . ?
C49 C48 C53 125.7(4) . . ?
C47 C48 C53 125.9(4) . . ?
C49 C48 Rh2 71.79(19) . . ?
C47 C48 Rh2 68.40(19) . . ?
C53 C48 Rh2 124.9(2) . . ?
C48 C49 C45 109.0(3) . . ?
C48 C49 C54 127.3(3) . . ?
C45 C49 C54 123.7(3) . . ?
C48 C49 Rh2 71.4(2) . . ?
C45 C49 Rh2 68.91(17) . . ?
C54 C49 Rh2 123.7(2) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
Cl1S C1S Cl2S 120.4(5) . . ?
Cl1S C1S Cl2D 91.8(5) . . ?
Cl2S C1S Cl2D 35.2(4) . . ?
Cl1S C1S H1S1 107.0 . . ?
Cl2S C1S H1S1 107.0 . . ?
Cl2D C1S H1S1 99.7 . . ?
Cl1S C1S H1S2 107.3 . . ?
Cl2S C1S H1S2 107.4 . . ?
Cl2D C1S H1S2 140.2 . . ?
H1S1 C1S H1S2 107.1 . . ?
Cl2D Cl2S C1S 80.9(6) . . ?
Cl2S Cl2D C1S 63.9(7) . . ?
Cl4S C2S Cl3S 111.8(3) . . ?
Cl4S C2S H2S1 109.3 . . ?
Cl3S C2S H2S1 109.3 . . ?
Cl4S C2S H2S2 109.3 . . ?
Cl3S C2S H2S2 109.3 . . ?
H2S1 C2S H2S2 107.9 . . ?
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 C1 2.113(3) . ?
Sb1 C17 2.126(3) . ?
Sb1 C11 2.133(3) . ?
Sb1 Rh1 2.5693(3) . ?
Sb2 C6 2.112(3) . ?
Sb2 C29 2.125(3) . ?
Sb2 C23 2.131(3) . ?
Sb2 Rh2 2.5676(3) . ?
Rh1 C39 2.144(3) . ?
Rh1 C37 2.162(3) . ?
Rh1 C38 2.165(3) . ?
Rh1 C35 2.192(3) . ?
Rh1 C36 2.200(3) . ?
Rh1 Cl1 2.4047(7) . ?
Rh1 Cl2 2.4048(7) . ?
Rh2 C47 2.135(3) . ?
Rh2 C45 2.158(3) . ?
Rh2 C46 2.162(3) . ?
Rh2 C48 2.198(3) . ?
Rh2 C49 2.203(3) . ?
Rh2 Cl4 2.3910(7) . ?
Rh2 Cl3 2.3953(7) . ?
Fe C7 2.039(3) . ?
Fe C5 2.040(3) . ?
Fe C1 2.041(3) . ?
Fe C2 2.043(3) . ?
Fe C6 2.045(3) . ?
Fe C10 2.046(3) . ?
Fe C8 2.052(3) . ?
Fe C4 2.055(3) . ?
Fe C9 2.061(3) . ?
Fe C3 2.061(3) . ?
C1 C2 1.432(4) . ?
C1 C5 1.433(4) . ?
C2 C3 1.414(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.418(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.426(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C10 1.426(4) . ?
C6 C7 1.433(4) . ?
C7 C8 1.431(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.423(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.419(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.390(4) . ?
C11 C16 1.396(4) . ?
C12 C13 1.398(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.384(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.382(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.389(4) . ?
C17 C18 1.395(4) . ?
C18 C19 1.392(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.377(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.390(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(5) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.394(4) . ?
C23 C28 1.395(4) . ?
C24 C25 1.391(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.381(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.391(5) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.385(4) . ?
C29 C34 1.391(5) . ?
C30 C31 1.393(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.374(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.394(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.391(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.415(4) . ?
C35 C39 1.455(5) . ?
C35 C40 1.491(4) . ?
C36 C37 1.454(4) . ?
C36 C41 1.485(4) . ?
C37 C38 1.433(4) . ?
C37 C42 1.492(4) . ?
C38 C39 1.433(4) . ?
C38 C43 1.499(4) . ?
C39 C44 1.494(5) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.439(5) . ?
C45 C49 1.450(5) . ?
C45 C50 1.492(4) . ?
C46 C47 1.461(5) . ?
C46 C51 1.474(5) . ?
C47 C48 1.428(6) . ?
C47 C52 1.503(5) . ?
C48 C49 1.390(5) . ?
C48 C53 1.507(5) . ?
C49 C54 1.510(5) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C1S Cl1S 1.679(9) . ?
C1S Cl2S 1.695(9) . ?
C1S Cl2D 1.864(12) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
Cl2S Cl2D 1.087(12) . ?
C2S Cl4S 1.759(6) . ?
C2S Cl3S 1.771(5) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
