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#$Date: 2024-04-05 03:07:11 +0300 (Fri, 05 Apr 2024) $
#$Revision: 291034 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/30/7063021.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_7063021
loop_
_publ_author_name
'Antala, Jakub'
'Schulz, Jiří'
'Císařová, Ivana'
'Štěpnička, Petr'
_publ_section_title
;
 Synthesis, reactivity and coordination behaviour of a ferrocene
 phosphinostibine and intramolecular interactions in its P(v) and Sb(v)
 derivatives
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5107
_journal_page_last               5119
_journal_paper_doi               10.1039/D4NJ00349G
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C34 H40 Au Cl3 Fe P Sb'
_chemical_formula_sum            'C34 H40 Au Cl3 Fe P Sb'
_chemical_formula_weight         960.54
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-12-20 deposited with the CCDC.	2024-02-14 downloaded from the CCDC.
;
_cell_angle_alpha                97.404(2)
_cell_angle_beta                 93.523(2)
_cell_angle_gamma                90.020(2)
_cell_formula_units_Z            4
_cell_length_a                   9.1763(4)
_cell_length_b                   14.8320(6)
_cell_length_c                   24.8388(10)
_cell_measurement_reflns_used    9139
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.61
_cell_volume                     3346.0(2)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_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 0.998
_diffrn_measured_fraction_theta_max 0.997
_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  0.0331
_diffrn_reflns_av_unetI/netI     0.0297
_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       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            64551
_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         27.493
_diffrn_reflns_theta_min         2.017
_exptl_absorpt_coefficient_mu    5.914
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.907
_exptl_crystal_description       plate
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.942
_refine_diff_density_min         -2.049
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     729
_refine_ls_number_reflns         15313
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      1.206
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0392
_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)+(0.0001P)²+22.3332P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0760
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14085
_reflns_number_total             15313
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nj00349g3.cif
_cod_data_source_block           ja49
_cod_depositor_comments
'Adding full bibliography for 7063018--7063034.cif.'
_cod_database_code               7063021
_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   0.400
_shelx_estimated_absorpt_t_max   0.843
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
Au1 Au 0.54637(2) 0.71652(2) 0.33668(2) 0.02422(5) Uani 1 1 d . . . . .
Fe1 Fe 0.26831(9) 0.59698(5) 0.21399(3) 0.02269(17) Uani 1 1 d . . . . .
Sb1 Sb 0.48669(4) 0.41813(2) 0.13779(2) 0.01617(7) Uani 1 1 d . . . . .
P1 P 0.30776(15) 0.70500(10) 0.34705(6) 0.0213(3) Uani 1 1 d . . . . .
Cl1 Cl 0.59262(15) 0.42204(10) 0.23070(5) 0.0265(3) Uani 1 1 d . . . . .
Cl2 Cl 0.38008(15) 0.42030(10) 0.04395(5) 0.0253(3) Uani 1 1 d . . . . .
Cl3 Cl 0.79210(15) 0.71581(10) 0.32354(6) 0.0316(3) Uani 1 1 d . . . . .
C1 C 0.4104(6) 0.5507(4) 0.1570(2) 0.0219(11) Uani 1 1 d . . . . .
C2 C 0.4769(9) 0.6168(5) 0.1965(3) 0.0448(19) Uani 1 1 d . . . . .
H2 H 0.559338 0.607975 0.220218 0.054 Uiso 1 1 calc R U . . .
C3 C 0.3991(8) 0.6994(4) 0.1946(3) 0.0375(17) Uani 1 1 d . . . . .
H3 H 0.422169 0.755799 0.216258 0.045 Uiso 1 1 calc R U . . .
C4 C 0.2808(8) 0.6829(4) 0.1548(3) 0.0365(16) Uani 1 1 d . . . . .
H4 H 0.210652 0.726329 0.145549 0.044 Uiso 1 1 calc R U . . .
C5 C 0.2854(7) 0.5911(4) 0.1315(2) 0.0282(13) Uani 1 1 d . . . . .
H5 H 0.218705 0.561439 0.104108 0.034 Uiso 1 1 calc R U . . .
C6 C 0.2222(6) 0.6231(4) 0.2945(2) 0.0226(11) Uani 1 1 d . . . . .
C7 C 0.0938(6) 0.6358(4) 0.2600(2) 0.0228(11) Uani 1 1 d . . . . .
H7 H 0.040134 0.690477 0.259445 0.027 Uiso 1 1 calc R U . . .
C8 C 0.0620(7) 0.5520(4) 0.2270(3) 0.0305(13) Uani 1 1 d . . . . .
H8 H -0.017459 0.540816 0.200552 0.037 Uiso 1 1 calc R U . . .
C9 C 0.1677(7) 0.4879(4) 0.2398(3) 0.0302(13) Uani 1 1 d . . . . .
H9 H 0.171003 0.426254 0.223900 0.036 Uiso 1 1 calc R U . . .
C10 C 0.2687(7) 0.5316(4) 0.2809(2) 0.0268(12) Uani 1 1 d . . . . .
H10 H 0.352314 0.504612 0.296427 0.032 Uiso 1 1 calc R U . . .
C11 C 0.2736(6) 0.6619(4) 0.4114(2) 0.0239(12) Uani 1 1 d . . . . .
H11 H 0.314168 0.708410 0.441280 0.029 Uiso 1 1 calc R U . . .
C12 C 0.3542(8) 0.5728(4) 0.4181(3) 0.0367(15) Uani 1 1 d . . . . .
H12A H 0.317060 0.524058 0.389532 0.044 Uiso 1 1 calc R U . . .
H12B H 0.459891 0.581041 0.414148 0.044 Uiso 1 1 calc R U . . .
C13 C 0.3300(8) 0.5457(4) 0.4745(3) 0.0369(15) Uani 1 1 d . . . . .
H13A H 0.380663 0.487747 0.478436 0.044 Uiso 1 1 calc R U . . .
H13B H 0.372967 0.592875 0.502802 0.044 Uiso 1 1 calc R U . . .
C14 C 0.1698(8) 0.5346(5) 0.4828(3) 0.0419(17) Uani 1 1 d . . . . .
H14A H 0.157629 0.519048 0.519842 0.050 Uiso 1 1 calc R U . . .
H14B H 0.127915 0.484272 0.456264 0.050 Uiso 1 1 calc R U . . .
C15 C 0.0901(7) 0.6217(5) 0.4754(3) 0.0391(16) Uani 1 1 d . . . . .
H15A H 0.125724 0.670119 0.504400 0.047 Uiso 1 1 calc R U . . .
H15B H -0.015442 0.612510 0.479235 0.047 Uiso 1 1 calc R U . . .
C16 C 0.1113(6) 0.6526(4) 0.4199(2) 0.0284(13) Uani 1 1 d . . . . .
H16A H 0.065698 0.607761 0.390764 0.034 Uiso 1 1 calc R U . . .
H16B H 0.062955 0.711825 0.417851 0.034 Uiso 1 1 calc R U . . .
C17 C 0.1983(6) 0.8091(4) 0.3477(2) 0.0213(11) Uani 1 1 d . . . . .
H17 H 0.092890 0.791135 0.345389 0.026 Uiso 1 1 calc R U . . .
C18 C 0.2294(6) 0.8737(4) 0.4008(2) 0.0242(12) Uani 1 1 d . . . . .
H18A H 0.211480 0.841247 0.432246 0.029 Uiso 1 1 calc R U . . .
H18B H 0.333249 0.892875 0.403877 0.029 Uiso 1 1 calc R U . . .
C19 C 0.1337(7) 0.9566(4) 0.4024(2) 0.0311(13) Uani 1 1 d . . . . .
H19A H 0.156634 0.997134 0.436771 0.037 Uiso 1 1 calc R U . . .
H19B H 0.030081 0.937667 0.401600 0.037 Uiso 1 1 calc R U . . .
C20 C 0.1565(7) 1.0085(4) 0.3543(2) 0.0314(14) Uani 1 1 d . . . . .
H20A H 0.087175 1.059670 0.354791 0.038 Uiso 1 1 calc R U . . .
H20B H 0.256858 1.033942 0.357458 0.038 Uiso 1 1 calc R U . . .
C21 C 0.1329(7) 0.9458(4) 0.3007(2) 0.0285(13) Uani 1 1 d . . . . .
H21A H 0.028373 0.928395 0.295046 0.034 Uiso 1 1 calc R U . . .
H21B H 0.157800 0.979270 0.270452 0.034 Uiso 1 1 calc R U . . .
C22 C 0.2247(6) 0.8601(4) 0.2993(2) 0.0241(12) Uani 1 1 d . . . . .
H22A H 0.329374 0.876673 0.300036 0.029 Uiso 1 1 calc R U . . .
H22B H 0.199869 0.819704 0.265005 0.029 Uiso 1 1 calc R U . . .
C23 C 0.6987(5) 0.4032(3) 0.1082(2) 0.0198(11) Uani 1 1 d . . . . .
C24 C 0.8082(6) 0.3594(4) 0.1370(2) 0.0240(12) Uani 1 1 d . . . . .
H24 H 0.786522 0.332742 0.168440 0.029 Uiso 1 1 calc R U . . .
C25 C 0.9478(6) 0.3557(4) 0.1189(3) 0.0326(14) Uani 1 1 d . . . . .
H25 H 1.022680 0.326907 0.138516 0.039 Uiso 1 1 calc R U . . .
C26 C 0.9806(6) 0.3931(4) 0.0729(3) 0.0328(14) Uani 1 1 d . . . . .
H26 H 1.077164 0.390274 0.061025 0.039 Uiso 1 1 calc R U . . .
C27 C 0.8710(6) 0.4348(4) 0.0440(3) 0.0308(13) Uani 1 1 d . . . . .
H27 H 0.892665 0.460145 0.012153 0.037 Uiso 1 1 calc R U . . .
C28 C 0.7309(6) 0.4397(4) 0.0615(2) 0.0260(12) Uani 1 1 d . . . . .
H28 H 0.656423 0.468057 0.041540 0.031 Uiso 1 1 calc R U . . .
C29 C 0.3570(6) 0.3012(4) 0.1453(2) 0.0220(11) Uani 1 1 d . . . . .
C30 C 0.3006(6) 0.2463(4) 0.0989(3) 0.0277(13) Uani 1 1 d . . . . .
H30 H 0.319688 0.260603 0.063734 0.033 Uiso 1 1 calc R U . . .
C31 C 0.2166(6) 0.1709(4) 0.1044(3) 0.0352(15) Uani 1 1 d . . . . .
H31 H 0.179720 0.132513 0.072929 0.042 Uiso 1 1 calc R U . . .
C33 C 0.2436(6) 0.2049(4) 0.2016(3) 0.0349(15) Uani 1 1 d . . . . .
H33 H 0.224664 0.190264 0.236662 0.042 Uiso 1 1 calc R U . . .
C32 C 0.1859(7) 0.1512(4) 0.1557(3) 0.0390(17) Uani 1 1 d . . . . .
H32 H 0.125242 0.100632 0.159241 0.047 Uiso 1 1 calc R U . . .
C34 C 0.3290(6) 0.2802(4) 0.1967(3) 0.0299(13) Uani 1 1 d . . . . .
H34 H 0.368357 0.317229 0.228264 0.036 Uiso 1 1 calc R U . . .
Au2 Au 0.42067(2) -0.05382(2) 0.13332(2) 0.01759(5) Uani 1 1 d . . . . .
Fe2 Fe 0.70133(9) 0.06087(5) 0.26427(3) 0.01923(16) Uani 1 1 d . . . . .
Sb2 Sb 0.60352(4) 0.20051(3) 0.39188(2) 0.02348(8) Uani 1 1 d . . . . .
P2 P 0.65672(14) -0.02283(9) 0.12599(5) 0.0161(3) Uani 1 1 d . . . . .
Cl21 Cl 0.3994(2) 0.25720(13) 0.33695(8) 0.0523(5) Uani 1 1 d . . . . .
Cl22 Cl 0.80167(17) 0.14540(11) 0.45027(6) 0.0347(3) Uani 1 1 d . . . . .
Cl23 Cl 0.18098(13) -0.08770(9) 0.14478(6) 0.0227(3) Uani 1 1 d . . . . .
C51 C 0.6127(6) 0.0806(4) 0.3379(2) 0.0231(11) Uani 1 1 d . . . . .
C52 C 0.5040(7) 0.0471(4) 0.2955(2) 0.0305(14) Uani 1 1 d . . . . .
H52 H 0.416675 0.076426 0.285008 0.037 Uiso 1 1 calc R U . . .
C53 C 0.5551(8) -0.0384(4) 0.2730(3) 0.0354(15) Uani 1 1 d . . . . .
H53 H 0.505528 -0.077009 0.244139 0.042 Uiso 1 1 calc R U . . .
C54 C 0.6883(8) -0.0584(4) 0.2988(2) 0.0359(16) Uani 1 1 d . . . . .
H54 H 0.743630 -0.112026 0.290647 0.043 Uiso 1 1 calc R U . . .
C55 C 0.7261(7) 0.0151(4) 0.3392(2) 0.0284(13) Uani 1 1 d . . . . .
H55 H 0.811715 0.020099 0.363003 0.034 Uiso 1 1 calc R U . . .
C56 C 0.7297(6) 0.0555(3) 0.1829(2) 0.0181(10) Uani 1 1 d . . . . .
C57 C 0.8677(6) 0.0518(4) 0.2124(2) 0.0206(11) Uani 1 1 d . . . . .
H57 H 0.936522 0.003986 0.207763 0.025 Uiso 1 1 calc R U . . .
C58 C 0.8835(6) 0.1327(4) 0.2501(2) 0.0235(11) Uani 1 1 d . . . . .
H58 H 0.965025 0.148133 0.275037 0.028 Uiso 1 1 calc R U . . .
C59 C 0.7572(6) 0.1861(4) 0.2441(2) 0.0230(11) Uani 1 1 d . . . . .
H59 H 0.739362 0.243700 0.264038 0.028 Uiso 1 1 calc R U . . .
C60 C 0.6625(6) 0.1385(4) 0.2030(2) 0.0205(11) Uani 1 1 d . . . . .
H60 H 0.569310 0.158617 0.190897 0.025 Uiso 1 1 calc R U . . .
C61 C 0.6903(5) 0.0335(4) 0.0663(2) 0.0171(10) Uani 1 1 d . . . . .
H61 H 0.662420 -0.010977 0.033568 0.021 Uiso 1 1 calc R U . . .
C62 C 0.5919(6) 0.1168(4) 0.0632(2) 0.0234(12) Uani 1 1 d . . . . .
H62A H 0.488558 0.098166 0.064100 0.028 Uiso 1 1 calc R U . . .
H62B H 0.615541 0.162495 0.095232 0.028 Uiso 1 1 calc R U . . .
C63 C 0.6116(6) 0.1599(4) 0.0111(2) 0.0237(12) Uani 1 1 d . . . . .
H63A H 0.574120 0.117538 -0.020819 0.028 Uiso 1 1 calc R U . . .
H63B H 0.554015 0.216465 0.012111 0.028 Uiso 1 1 calc R U . . .
C64 C 0.7718(6) 0.1818(4) 0.0050(2) 0.0222(11) Uani 1 1 d . . . . .
H64A H 0.781978 0.203195 -0.030720 0.027 Uiso 1 1 calc R U . . .
H64B H 0.804669 0.231606 0.033661 0.027 Uiso 1 1 calc R U . . .
C65 C 0.8683(6) 0.0998(4) 0.0094(2) 0.0243(12) Uani 1 1 d . . . . .
H65A H 0.971591 0.117809 0.007575 0.029 Uiso 1 1 calc R U . . .
H65B H 0.843371 0.052758 -0.021917 0.029 Uiso 1 1 calc R U . . .
C66 C 0.8505(5) 0.0596(4) 0.0621(2) 0.0209(11) Uani 1 1 d . . . . .
H66A H 0.882614 0.104680 0.093561 0.025 Uiso 1 1 calc R U . . .
H66B H 0.912442 0.005085 0.062953 0.025 Uiso 1 1 calc R U . . .
C67 C 0.7744(5) -0.1229(3) 0.1219(2) 0.0174(10) Uani 1 1 d . . . . .
H67 H 0.877940 -0.100818 0.127162 0.021 Uiso 1 1 calc R U . . .
C68 C 0.7570(6) -0.1820(4) 0.0661(2) 0.0234(11) Uani 1 1 d . . . . .
H68A H 0.654554 -0.203313 0.059010 0.028 Uiso 1 1 calc R U . . .
H68B H 0.780520 -0.145269 0.037124 0.028 Uiso 1 1 calc R U . . .
C69 C 0.8581(7) -0.2636(4) 0.0648(2) 0.0283(13) Uani 1 1 d . . . . .
H69A H 0.842435 -0.302145 0.029301 0.034 Uiso 1 1 calc R U . . .
H69B H 0.960796 -0.242004 0.068355 0.034 Uiso 1 1 calc R U . . .
C70 C 0.8320(7) -0.3200(4) 0.1101(3) 0.0314(13) Uani 1 1 d . . . . .
H70A H 0.903616 -0.369980 0.109198 0.038 Uiso 1 1 calc R U . . .
H70B H 0.733017 -0.347370 0.104248 0.038 Uiso 1 1 calc R U . . .
C71 C 0.8463(6) -0.2625(4) 0.1655(2) 0.0262(12) Uani 1 1 d . . . . .
H71A H 0.820857 -0.299981 0.193834 0.031 Uiso 1 1 calc R U . . .
H71B H 0.948855 -0.241808 0.173460 0.031 Uiso 1 1 calc R U . . .
C72 C 0.7473(6) -0.1803(4) 0.1676(2) 0.0249(12) Uani 1 1 d . . . . .
H72A H 0.764361 -0.142258 0.203181 0.030 Uiso 1 1 calc R U . . .
H72B H 0.644109 -0.200955 0.164191 0.030 Uiso 1 1 calc R U . . .
C73A C 0.4661(8) 0.1942(5) 0.4570(3) 0.0305(16) Uani 0.680(8) 1 d G U P A 1
C74A C 0.3870(9) 0.2693(4) 0.4777(3) 0.045(2) Uani 0.680(8) 1 d G U P A 1
H74A H 0.395957 0.325279 0.463327 0.054 Uiso 0.680(8) 1 calc R U P A 1
C75A C 0.2947(9) 0.2626(5) 0.5193(4) 0.060(3) Uani 0.680(8) 1 d G U P A 1
H75A H 0.240667 0.313958 0.533480 0.072 Uiso 0.680(8) 1 calc R U P A 1
C76A C 0.2816(9) 0.1807(6) 0.5403(3) 0.054(3) Uani 0.680(8) 1 d G U P A 1
H76A H 0.218559 0.176122 0.568825 0.065 Uiso 0.680(8) 1 calc R U P A 1
C77A C 0.3607(10) 0.1056(5) 0.5197(3) 0.060(3) Uani 0.680(8) 1 d G U P A 1
H77A H 0.351742 0.049607 0.534018 0.072 Uiso 0.680(8) 1 calc R U P A 1
C78A C 0.4530(9) 0.1123(4) 0.4780(3) 0.044(3) Uani 0.680(8) 1 d G U P A 1
H78A H 0.507033 0.060926 0.463864 0.053 Uiso 0.680(8) 1 calc R U P A 1
C73B C 0.4543(17) 0.2035(12) 0.4523(6) 0.0305(16) Uani 0.320(8) 1 d G U P A 2
C74B C 0.3313(19) 0.2578(11) 0.4501(7) 0.045(2) Uani 0.320(8) 1 d G U P A 2
H74B H 0.319687 0.297582 0.423045 0.054 Uiso 0.320(8) 1 calc R U P A 2
C75B C 0.2252(17) 0.2540(12) 0.4873(8) 0.060(3) Uani 0.320(8) 1 d G U P A 2
H75B H 0.141099 0.291203 0.485794 0.072 Uiso 0.320(8) 1 calc R U P A 2
C76B C 0.2421(18) 0.1959(14) 0.5269(7) 0.054(3) Uani 0.320(8) 1 d G U P A 2
H76B H 0.169578 0.193284 0.552339 0.065 Uiso 0.320(8) 1 calc R U P A 2
C77B C 0.365(2) 0.1415(13) 0.5291(7) 0.060(3) Uani 0.320(8) 1 d G U P A 2
H77B H 0.376645 0.101743 0.556137 0.072 Uiso 0.320(8) 1 calc R U P A 2
C78B C 0.4712(17) 0.1453(12) 0.4918(8) 0.044(3) Uani 0.320(8) 1 d G U P A 2
H78B H 0.555235 0.108120 0.493389 0.053 Uiso 0.320(8) 1 calc R U P A 2
C79A C 0.7446(8) 0.3095(5) 0.3791(4) 0.0253(18) Uani 0.680(8) 1 d G U P A 1
C80A C 0.8911(8) 0.2912(4) 0.3717(4) 0.033(2) Uani 0.680(8) 1 d G U P A 1
H80A H 0.930045 0.233829 0.377990 0.040 Uiso 0.680(8) 1 calc R U P A 1
C81A C 0.9806(7) 0.3567(5) 0.3552(4) 0.042(2) Uani 0.680(8) 1 d G U P A 1
H81A H 1.080733 0.344179 0.350173 0.051 Uiso 0.680(8) 1 calc R U P A 1
C82A C 0.9236(8) 0.4406(5) 0.3460(3) 0.039(2) Uani 0.680(8) 1 d G U P A 1
H82A H 0.984790 0.485382 0.334720 0.047 Uiso 0.680(8) 1 calc R U P A 1
C83A C 0.7771(9) 0.4589(4) 0.3534(3) 0.039(2) Uani 0.680(8) 1 d G U P A 1
H83A H 0.738158 0.516235 0.347083 0.047 Uiso 0.680(8) 1 calc R U P A 1
C84A C 0.6876(7) 0.3934(5) 0.3699(4) 0.037(2) Uani 0.680(8) 1 d G U P A 1
H84A H 0.587467 0.405885 0.374899 0.044 Uiso 0.680(8) 1 calc R U P A 1
C79B C 0.7097(19) 0.3182(11) 0.3782(10) 0.0253(18) Uani 0.320(8) 1 d G U P A 2
C80B C 0.8574(19) 0.3100(10) 0.3692(10) 0.033(2) Uani 0.320(8) 1 d G U P A 2
H80B H 0.905905 0.254291 0.372785 0.040 Uiso 0.320(8) 1 calc R U P A 2
C81B C 0.9343(16) 0.3833(12) 0.3550(8) 0.042(2) Uani 0.320(8) 1 d G U P A 2
H81B H 1.035222 0.377733 0.348937 0.051 Uiso 0.320(8) 1 calc R U P A 2
C82B C 0.8633(19) 0.4648(10) 0.3498(7) 0.039(2) Uani 0.320(8) 1 d G U P A 2
H82B H 0.915833 0.514932 0.340146 0.047 Uiso 0.320(8) 1 calc R U P A 2
C83B C 0.7156(19) 0.4730(10) 0.3588(8) 0.039(2) Uani 0.320(8) 1 d G U P A 2
H83B H 0.667127 0.528691 0.355204 0.047 Uiso 0.320(8) 1 calc R U P A 2
C84B C 0.6388(16) 0.3997(13) 0.3729(9) 0.037(2) Uani 0.320(8) 1 d G U P A 2
H84B H 0.537807 0.405250 0.379053 0.044 Uiso 0.320(8) 1 calc R U P A 2
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'
Au Au -2.0133 8.8022 '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'
P P 0.1023 0.0942 '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
P1 Au1 Cl3 175.29(6) . . ?
C2 Fe1 C10 108.7(3) . . ?
C2 Fe1 C1 40.5(2) . . ?
C10 Fe1 C1 116.5(2) . . ?
C2 Fe1 C9 131.3(3) . . ?
C10 Fe1 C9 40.9(2) . . ?
C1 Fe1 C9 109.1(2) . . ?
C2 Fe1 C5 69.0(3) . . ?
C10 Fe1 C5 149.0(2) . . ?
C1 Fe1 C5 41.3(2) . . ?
C9 Fe1 C5 116.2(3) . . ?
C2 Fe1 C6 116.7(3) . . ?
C10 Fe1 C6 40.9(2) . . ?
C1 Fe1 C6 149.1(2) . . ?
C9 Fe1 C6 68.3(2) . . ?
C5 Fe1 C6 168.6(2) . . ?
C2 Fe1 C3 40.8(3) . . ?
C10 Fe1 C3 131.6(3) . . ?
C1 Fe1 C3 67.9(2) . . ?
C9 Fe1 C3 170.7(3) . . ?
C5 Fe1 C3 67.9(3) . . ?
C6 Fe1 C3 109.4(2) . . ?
C2 Fe1 C7 149.3(3) . . ?
C10 Fe1 C7 68.8(2) . . ?
C1 Fe1 C7 168.9(2) . . ?
C9 Fe1 C7 67.8(2) . . ?
C5 Fe1 C7 129.4(2) . . ?
C6 Fe1 C7 40.9(2) . . ?
C3 Fe1 C7 116.8(2) . . ?
C2 Fe1 C8 169.5(3) . . ?
C10 Fe1 C8 68.2(3) . . ?
C1 Fe1 C8 130.8(2) . . ?
C9 Fe1 C8 40.0(2) . . ?
C5 Fe1 C8 108.0(3) . . ?
C6 Fe1 C8 68.1(2) . . ?
C3 Fe1 C8 148.5(3) . . ?
C7 Fe1 C8 40.2(2) . . ?
C2 Fe1 C4 68.5(3) . . ?
C10 Fe1 C4 170.1(3) . . ?
C1 Fe1 C4 68.0(2) . . ?
C9 Fe1 C4 147.9(3) . . ?
C5 Fe1 C4 40.0(2) . . ?
C6 Fe1 C4 131.0(2) . . ?
C3 Fe1 C4 40.2(3) . . ?
C7 Fe1 C4 108.5(2) . . ?
C8 Fe1 C4 116.3(3) . . ?
C1 Sb1 C23 117.3(2) . . ?
C1 Sb1 C29 122.2(2) . . ?
C23 Sb1 C29 120.5(2) . . ?
C1 Sb1 Cl1 89.80(16) . . ?
C23 Sb1 Cl1 89.74(15) . . ?
C29 Sb1 Cl1 91.70(15) . . ?
C1 Sb1 Cl2 88.32(16) . . ?
C23 Sb1 Cl2 90.31(15) . . ?
C29 Sb1 Cl2 90.08(15) . . ?
Cl1 Sb1 Cl2 177.91(5) . . ?
C6 P1 C11 105.2(3) . . ?
C6 P1 C17 106.2(3) . . ?
C11 P1 C17 104.8(3) . . ?
C6 P1 Au1 110.91(18) . . ?
C11 P1 Au1 111.21(19) . . ?
C17 P1 Au1 117.68(19) . . ?
C2 C1 C5 108.2(6) . . ?
C2 C1 Fe1 69.0(3) . . ?
C5 C1 Fe1 70.0(3) . . ?
C2 C1 Sb1 125.0(5) . . ?
C5 C1 Sb1 126.8(4) . . ?
Fe1 C1 Sb1 128.2(3) . . ?
C1 C2 C3 108.0(7) . . ?
C1 C2 Fe1 70.4(4) . . ?
C3 C2 Fe1 71.1(4) . . ?
C1 C2 H2 126.0 . . ?
C3 C2 H2 126.0 . . ?
Fe1 C2 H2 124.1 . . ?
C4 C3 C2 108.1(6) . . ?
C4 C3 Fe1 70.5(4) . . ?
C2 C3 Fe1 68.1(4) . . ?
C4 C3 H3 125.9 . . ?
C2 C3 H3 125.9 . . ?
Fe1 C3 H3 127.1 . . ?
C5 C4 C3 108.4(6) . . ?
C5 C4 Fe1 69.3(3) . . ?
C3 C4 Fe1 69.3(4) . . ?
C5 C4 H4 125.8 . . ?
C3 C4 H4 125.8 . . ?
Fe1 C4 H4 127.1 . . ?
C4 C5 C1 107.2(6) . . ?
C4 C5 Fe1 70.7(4) . . ?
C1 C5 Fe1 68.7(3) . . ?
C4 C5 H5 126.4 . . ?
C1 C5 H5 126.4 . . ?
Fe1 C5 H5 125.8 . . ?
C10 C6 C7 107.3(5) . . ?
C10 C6 P1 125.4(5) . . ?
C7 C6 P1 127.3(4) . . ?
C10 C6 Fe1 68.5(3) . . ?
C7 C6 Fe1 69.8(3) . . ?
P1 C6 Fe1 128.4(3) . . ?
C8 C7 C6 107.7(5) . . ?
C8 C7 Fe1 70.0(3) . . ?
C6 C7 Fe1 69.3(3) . . ?
C8 C7 H7 126.2 . . ?
C6 C7 H7 126.2 . . ?
Fe1 C7 H7 126.1 . . ?
C9 C8 C7 108.7(6) . . ?
C9 C8 Fe1 69.6(3) . . ?
C7 C8 Fe1 69.8(3) . . ?
C9 C8 H8 125.6 . . ?
C7 C8 H8 125.6 . . ?
Fe1 C8 H8 126.5 . . ?
C8 C9 C10 108.2(5) . . ?
C8 C9 Fe1 70.4(3) . . ?
C10 C9 Fe1 68.6(3) . . ?
C8 C9 H9 125.9 . . ?
C10 C9 H9 125.9 . . ?
Fe1 C9 H9 126.7 . . ?
C9 C10 C6 108.0(5) . . ?
C9 C10 Fe1 70.6(3) . . ?
C6 C10 Fe1 70.6(3) . . ?
C9 C10 H10 126.0 . . ?
C6 C10 H10 126.0 . . ?
Fe1 C10 H10 124.4 . . ?
C16 C11 C12 111.0(5) . . ?
C16 C11 P1 112.8(4) . . ?
C12 C11 P1 112.8(4) . . ?
C16 C11 H11 106.6 . . ?
C12 C11 H11 106.6 . . ?
P1 C11 H11 106.6 . . ?
C13 C12 C11 109.5(5) . . ?
C13 C12 H12A 109.8 . . ?
C11 C12 H12A 109.8 . . ?
C13 C12 H12B 109.8 . . ?
C11 C12 H12B 109.8 . . ?
H12A C12 H12B 108.2 . . ?
C14 C13 C12 111.6(6) . . ?
C14 C13 H13A 109.3 . . ?
C12 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C15 110.0(5) . . ?
C13 C14 H14A 109.7 . . ?
C15 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
C15 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C16 112.5(6) . . ?
C14 C15 H15A 109.1 . . ?
C16 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
C16 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C11 C16 C15 110.3(5) . . ?
C11 C16 H16A 109.6 . . ?
C15 C16 H16A 109.6 . . ?
C11 C16 H16B 109.6 . . ?
C15 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C22 C17 C18 109.2(5) . . ?
C22 C17 P1 112.3(4) . . ?
C18 C17 P1 111.4(4) . . ?
C22 C17 H17 108.0 . . ?
C18 C17 H17 108.0 . . ?
P1 C17 H17 108.0 . . ?
C19 C18 C17 111.1(5) . . ?
C19 C18 H18A 109.4 . . ?
C17 C18 H18A 109.4 . . ?
C19 C18 H18B 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C18 C19 C20 111.3(5) . . ?
C18 C19 H19A 109.4 . . ?
C20 C19 H19A 109.4 . . ?
C18 C19 H19B 109.4 . . ?
C20 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C21 C20 C19 110.6(5) . . ?
C21 C20 H20A 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
C22 C21 C20 112.6(5) . . ?
C22 C21 H21A 109.1 . . ?
C20 C21 H21A 109.1 . . ?
C22 C21 H21B 109.1 . . ?
C20 C21 H21B 109.1 . . ?
H21A C21 H21B 107.8 . . ?
C21 C22 C17 111.3(4) . . ?
C21 C22 H22A 109.4 . . ?
C17 C22 H22A 109.4 . . ?
C21 C22 H22B 109.4 . . ?
C17 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
C28 C23 C24 119.9(5) . . ?
C28 C23 Sb1 120.0(4) . . ?
C24 C23 Sb1 120.0(4) . . ?
C25 C24 C23 119.0(6) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C24 C25 C26 121.2(6) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C25 C26 C27 119.5(5) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
C28 C27 C26 120.3(6) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C23 120.1(6) . . ?
C27 C28 H28 119.9 . . ?
C23 C28 H28 119.9 . . ?
C34 C29 C30 120.2(5) . . ?
C34 C29 Sb1 119.7(4) . . ?
C30 C29 Sb1 120.1(4) . . ?
C31 C30 C29 119.4(6) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C30 C31 C32 120.3(6) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C32 C33 C34 120.2(6) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C32 C31 120.1(6) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C34 C29 119.8(6) . . ?
C33 C34 H34 120.1 . . ?
C29 C34 H34 120.1 . . ?
P2 Au2 Cl23 177.32(5) . . ?
C53 Fe2 C52 40.6(3) . . ?
C53 Fe2 C51 67.9(2) . . ?
C52 Fe2 C51 41.6(2) . . ?
C53 Fe2 C60 118.7(3) . . ?
C52 Fe2 C60 105.0(2) . . ?
C51 Fe2 C60 125.5(2) . . ?
C53 Fe2 C56 107.1(2) . . ?
C52 Fe2 C56 123.7(2) . . ?
C51 Fe2 C56 162.5(2) . . ?
C60 Fe2 C56 40.8(2) . . ?
C53 Fe2 C57 126.8(2) . . ?
C52 Fe2 C57 162.3(2) . . ?
C51 Fe2 C57 155.4(2) . . ?
C60 Fe2 C57 68.4(2) . . ?
C56 Fe2 C57 40.8(2) . . ?
C53 Fe2 C58 165.0(3) . . ?
C52 Fe2 C58 153.9(2) . . ?
C51 Fe2 C58 120.7(2) . . ?
C60 Fe2 C58 67.9(2) . . ?
C56 Fe2 C58 68.4(2) . . ?
C57 Fe2 C58 40.6(2) . . ?
C53 Fe2 C59 152.9(3) . . ?
C52 Fe2 C59 118.1(2) . . ?
C51 Fe2 C59 108.0(2) . . ?
C60 Fe2 C59 40.4(2) . . ?
C56 Fe2 C59 68.4(2) . . ?
C57 Fe2 C59 68.2(2) . . ?
C58 Fe2 C59 40.3(2) . . ?
C53 Fe2 C55 67.3(3) . . ?
C52 Fe2 C55 69.3(3) . . ?
C51 Fe2 C55 40.7(2) . . ?
C60 Fe2 C55 164.1(2) . . ?
C56 Fe2 C55 154.6(2) . . ?
C57 Fe2 C55 121.3(2) . . ?
C58 Fe2 C55 110.3(2) . . ?
C59 Fe2 C55 128.1(2) . . ?
C53 Fe2 C54 39.8(3) . . ?
C52 Fe2 C54 68.5(3) . . ?
C51 Fe2 C54 67.8(2) . . ?
C60 Fe2 C54 153.3(2) . . ?
C56 Fe2 C54 119.8(2) . . ?
C57 Fe2 C54 109.5(2) . . ?
C58 Fe2 C54 129.0(3) . . ?
C59 Fe2 C54 165.7(3) . . ?
C55 Fe2 C54 40.0(2) . . ?
C79B Sb2 C51 121.4(7) . . ?
C79B Sb2 C73B 120.9(8) . . ?
C51 Sb2 C73B 116.9(5) . . ?
C51 Sb2 C73A 114.9(3) . . ?
C51 Sb2 C79A 116.9(3) . . ?
C73A Sb2 C79A 128.0(4) . . ?
C79B Sb2 Cl21 84.4(6) . . ?
C51 Sb2 Cl21 91.56(17) . . ?
C73B Sb2 Cl21 84.9(5) . . ?
C73A Sb2 Cl21 90.4(2) . . ?
C79A Sb2 Cl21 92.6(2) . . ?
C79B Sb2 Cl22 96.3(6) . . ?
C51 Sb2 Cl22 90.02(16) . . ?
C73B Sb2 Cl22 92.7(5) . . ?
C73A Sb2 Cl22 87.3(2) . . ?
C79A Sb2 Cl22 88.3(2) . . ?
Cl21 Sb2 Cl22 177.56(7) . . ?
C56 P2 C67 106.7(2) . . ?
C56 P2 C61 104.2(2) . . ?
C67 P2 C61 106.0(2) . . ?
C56 P2 Au2 111.63(17) . . ?
C67 P2 Au2 114.11(17) . . ?
C61 P2 Au2 113.39(17) . . ?
C55 C51 C52 108.4(5) . . ?
C55 C51 Fe2 70.7(3) . . ?
C52 C51 Fe2 69.2(3) . . ?
C55 C51 Sb2 124.7(4) . . ?
C52 C51 Sb2 126.8(4) . . ?
Fe2 C51 Sb2 128.5(3) . . ?
C53 C52 C51 105.3(6) . . ?
C53 C52 Fe2 69.6(3) . . ?
C51 C52 Fe2 69.2(3) . . ?
C53 C52 H52 127.3 . . ?
C51 C52 H52 127.3 . . ?
Fe2 C52 H52 125.4 . . ?
C54 C53 C52 110.8(6) . . ?
C54 C53 Fe2 71.6(4) . . ?
C52 C53 Fe2 69.8(3) . . ?
C54 C53 H53 124.6 . . ?
C52 C53 H53 124.6 . . ?
Fe2 C53 H53 125.7 . . ?
C53 C54 C55 107.8(6) . . ?
C53 C54 Fe2 68.7(3) . . ?
C55 C54 Fe2 69.7(3) . . ?
C53 C54 H54 126.1 . . ?
C55 C54 H54 126.1 . . ?
Fe2 C54 H54 127.1 . . ?
C54 C55 C51 107.6(6) . . ?
C54 C55 Fe2 70.3(3) . . ?
C51 C55 Fe2 68.6(3) . . ?
C54 C55 H55 126.2 . . ?
C51 C55 H55 126.2 . . ?
Fe2 C55 H55 126.4 . . ?
C60 C56 C57 107.4(5) . . ?
C60 C56 P2 124.5(4) . . ?
C57 C56 P2 127.8(4) . . ?
C60 C56 Fe2 69.3(3) . . ?
C57 C56 Fe2 69.8(3) . . ?
P2 C56 Fe2 130.5(3) . . ?
C58 C57 C56 107.6(5) . . ?
C58 C57 Fe2 69.8(3) . . ?
C56 C57 Fe2 69.3(3) . . ?
C58 C57 H57 126.2 . . ?
C56 C57 H57 126.2 . . ?
Fe2 C57 H57 126.2 . . ?
C59 C58 C57 108.5(5) . . ?
C59 C58 Fe2 70.0(3) . . ?
C57 C58 Fe2 69.5(3) . . ?
C59 C58 H58 125.8 . . ?
C57 C58 H58 125.8 . . ?
Fe2 C58 H58 126.3 . . ?
C60 C59 C58 107.7(5) . . ?
C60 C59 Fe2 69.0(3) . . ?
C58 C59 Fe2 69.7(3) . . ?
C60 C59 H59 126.1 . . ?
C58 C59 H59 126.1 . . ?
Fe2 C59 H59 126.7 . . ?
C59 C60 C56 108.7(5) . . ?
C59 C60 Fe2 70.6(3) . . ?
C56 C60 Fe2 69.8(3) . . ?
C59 C60 H60 125.6 . . ?
C56 C60 H60 125.6 . . ?
Fe2 C60 H60 125.5 . . ?
C66 C61 C62 110.4(4) . . ?
C66 C61 P2 114.2(4) . . ?
C62 C61 P2 111.5(3) . . ?
C66 C61 H61 106.8 . . ?
C62 C61 H61 106.8 . . ?
P2 C61 H61 106.8 . . ?
C63 C62 C61 111.6(4) . . ?
C63 C62 H62A 109.3 . . ?
C61 C62 H62A 109.3 . . ?
C63 C62 H62B 109.3 . . ?
C61 C62 H62B 109.3 . . ?
H62A C62 H62B 108.0 . . ?
C64 C63 C62 111.4(4) . . ?
C64 C63 H63A 109.4 . . ?
C62 C63 H63A 109.4 . . ?
C64 C63 H63B 109.4 . . ?
C62 C63 H63B 109.4 . . ?
H63A C63 H63B 108.0 . . ?
C65 C64 C63 111.8(5) . . ?
C65 C64 H64A 109.3 . . ?
C63 C64 H64A 109.3 . . ?
C65 C64 H64B 109.3 . . ?
C63 C64 H64B 109.3 . . ?
H64A C64 H64B 107.9 . . ?
C64 C65 C66 112.0(4) . . ?
C64 C65 H65A 109.2 . . ?
C66 C65 H65A 109.2 . . ?
C64 C65 H65B 109.2 . . ?
C66 C65 H65B 109.2 . . ?
H65A C65 H65B 107.9 . . ?
C65 C66 C61 110.0(4) . . ?
C65 C66 H66A 109.7 . . ?
C61 C66 H66A 109.7 . . ?
C65 C66 H66B 109.7 . . ?
C61 C66 H66B 109.7 . . ?
H66A C66 H66B 108.2 . . ?
C72 C67 C68 110.3(4) . . ?
C72 C67 P2 111.0(3) . . ?
C68 C67 P2 112.6(3) . . ?
C72 C67 H67 107.6 . . ?
C68 C67 H67 107.6 . . ?
P2 C67 H67 107.6 . . ?
C69 C68 C67 110.3(4) . . ?
C69 C68 H68A 109.6 . . ?
C67 C68 H68A 109.6 . . ?
C69 C68 H68B 109.6 . . ?
C67 C68 H68B 109.6 . . ?
H68A C68 H68B 108.1 . . ?
C70 C69 C68 111.9(5) . . ?
C70 C69 H69A 109.2 . . ?
C68 C69 H69A 109.2 . . ?
C70 C69 H69B 109.2 . . ?
C68 C69 H69B 109.2 . . ?
H69A C69 H69B 107.9 . . ?
C69 C70 C71 111.3(5) . . ?
C69 C70 H70A 109.4 . . ?
C71 C70 H70A 109.4 . . ?
C69 C70 H70B 109.4 . . ?
C71 C70 H70B 109.4 . . ?
H70A C70 H70B 108.0 . . ?
C72 C71 C70 111.5(5) . . ?
C72 C71 H71A 109.3 . . ?
C70 C71 H71A 109.3 . . ?
C72 C71 H71B 109.3 . . ?
C70 C71 H71B 109.3 . . ?
H71A C71 H71B 108.0 . . ?
C71 C72 C67 111.7(4) . . ?
C71 C72 H72A 109.3 . . ?
C67 C72 H72A 109.3 . . ?
C71 C72 H72B 109.3 . . ?
C67 C72 H72B 109.3 . . ?
H72A C72 H72B 107.9 . . ?
C74A C73A C78A 120.0 . . ?
C74A C73A Sb2 121.2(4) . . ?
C78A C73A Sb2 118.8(4) . . ?
C75A C74A C73A 120.0 . . ?
C75A C74A H74A 120.0 . . ?
C73A C74A H74A 120.0 . . ?
C76A C75A C74A 120.0 . . ?
C76A C75A H75A 120.0 . . ?
C74A C75A H75A 120.0 . . ?
C77A C76A C75A 120.0 . . ?
C77A C76A H76A 120.0 . . ?
C75A C76A H76A 120.0 . . ?
C76A C77A C78A 120.0 . . ?
C76A C77A H77A 120.0 . . ?
C78A C77A H77A 120.0 . . ?
C77A C78A C73A 120.0 . . ?
C77A C78A H78A 120.0 . . ?
C73A C78A H78A 120.0 . . ?
C74B C73B C78B 120.0 . . ?
C74B C73B Sb2 119.7(9) . . ?
C78B C73B Sb2 120.0(9) . . ?
C73B C74B C75B 120.0 . . ?
C73B C74B H74B 120.0 . . ?
C75B C74B H74B 120.0 . . ?
C76B C75B C74B 120.0 . . ?
C76B C75B H75B 120.0 . . ?
C74B C75B H75B 120.0 . . ?
C77B C76B C75B 120.0 . . ?
C77B C76B H76B 120.0 . . ?
C75B C76B H76B 120.0 . . ?
C78B C77B C76B 120.0 . . ?
C78B C77B H77B 120.0 . . ?
C76B C77B H77B 120.0 . . ?
C77B C78B C73B 120.0 . . ?
C77B C78B H78B 120.0 . . ?
C73B C78B H78B 120.0 . . ?
C80A C79A C84A 120.0 . . ?
C80A C79A Sb2 118.7(4) . . ?
C84A C79A Sb2 120.6(4) . . ?
C79A C80A C81A 120.0 . . ?
C79A C80A H80A 120.0 . . ?
C81A C80A H80A 120.0 . . ?
C82A C81A C80A 120.0 . . ?
C82A C81A H81A 120.0 . . ?
C80A C81A H81A 120.0 . . ?
C81A C82A C83A 120.0 . . ?
C81A C82A H82A 120.0 . . ?
C83A C82A H82A 120.0 . . ?
C84A C83A C82A 120.0 . . ?
C84A C83A H83A 120.0 . . ?
C82A C83A H83A 120.0 . . ?
C83A C84A C79A 120.0 . . ?
C83A C84A H84A 120.0 . . ?
C79A C84A H84A 120.0 . . ?
C80B C79B C84B 120.0 . . ?
C80B C79B Sb2 116.1(9) . . ?
C84B C79B Sb2 123.6(9) . . ?
C79B C80B C81B 120.0 . . ?
C79B C80B H80B 120.0 . . ?
C81B C80B H80B 120.0 . . ?
C82B C81B C80B 120.0 . . ?
C82B C81B H81B 120.0 . . ?
C80B C81B H81B 120.0 . . ?
C83B C82B C81B 120.0 . . ?
C83B C82B H82B 120.0 . . ?
C81B C82B H82B 120.0 . . ?
C82B C83B C84B 120.0 . . ?
C82B C83B H83B 120.0 . . ?
C84B C83B H83B 120.0 . . ?
C83B C84B C79B 120.0 . . ?
C83B C84B H84B 120.0 . . ?
C79B C84B H84B 120.0 . . ?
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
Au1 P1 2.2294(14) . ?
Au1 Cl3 2.2980(14) . ?
Fe1 C2 2.018(7) . ?
Fe1 C10 2.028(6) . ?
Fe1 C1 2.037(5) . ?
Fe1 C9 2.054(6) . ?
Fe1 C5 2.055(6) . ?
Fe1 C6 2.057(5) . ?
Fe1 C3 2.058(6) . ?
Fe1 C7 2.063(5) . ?
Fe1 C8 2.065(6) . ?
Fe1 C4 2.074(6) . ?
Sb1 C1 2.093(5) . ?
Sb1 C23 2.123(5) . ?
Sb1 C29 2.137(5) . ?
Sb1 Cl1 2.4423(13) . ?
Sb1 Cl2 2.4758(13) . ?
P1 C6 1.806(6) . ?
P1 C11 1.840(6) . ?
P1 C17 1.841(5) . ?
C1 C2 1.405(9) . ?
C1 C5 1.444(8) . ?
C2 C3 1.422(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.421(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.412(8) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C10 1.427(8) . ?
C6 C7 1.441(8) . ?
C7 C8 1.418(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.409(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.426(9) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.525(8) . ?
C11 C12 1.537(8) . ?
C11 H11 1.0000 . ?
C12 C13 1.534(9) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.509(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.511(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.531(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C22 1.531(7) . ?
C17 C18 1.539(7) . ?
C17 H17 1.0000 . ?
C18 C19 1.508(8) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.527(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.525(8) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.524(8) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C28 1.390(8) . ?
C23 C24 1.405(7) . ?
C24 C25 1.383(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(9) . ?
C25 H25 0.9500 . ?
C26 C27 1.391(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(8) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C34 1.391(8) . ?
C29 C30 1.394(8) . ?
C30 C31 1.384(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.390(10) . ?
C31 H31 0.9500 . ?
C33 C32 1.380(10) . ?
C33 C34 1.387(8) . ?
C33 H33 0.9500 . ?
C32 H32 0.9500 . ?
C34 H34 0.9500 . ?
Au2 P2 2.2373(13) . ?
Au2 Cl23 2.2988(12) . ?
Fe2 C53 2.032(6) . ?
Fe2 C52 2.034(6) . ?
Fe2 C51 2.035(5) . ?
Fe2 C60 2.037(5) . ?
Fe2 C56 2.044(5) . ?
Fe2 C57 2.050(5) . ?
Fe2 C58 2.054(5) . ?
Fe2 C59 2.059(5) . ?
Fe2 C55 2.062(6) . ?
Fe2 C54 2.070(6) . ?
Sb2 C79B 2.075(12) . ?
Sb2 C51 2.090(5) . ?
Sb2 C73B 2.090(12) . ?
Sb2 C73A 2.122(6) . ?
Sb2 C79A 2.138(5) . ?
Sb2 Cl21 2.4616(17) . ?
Sb2 Cl22 2.4617(15) . ?
P2 C56 1.805(5) . ?
P2 C67 1.832(5) . ?
P2 C61 1.834(5) . ?
C51 C55 1.426(8) . ?
C51 C52 1.445(8) . ?
C52 C53 1.411(9) . ?
C52 H52 0.9500 . ?
C53 C54 1.396(10) . ?
C53 H53 0.9500 . ?
C54 C55 1.412(8) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C60 1.424(7) . ?
C56 C57 1.428(7) . ?
C57 C58 1.425(8) . ?
C57 H57 0.9500 . ?
C58 C59 1.415(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.414(8) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C66 1.533(7) . ?
C61 C62 1.538(7) . ?
C61 H61 1.0000 . ?
C62 C63 1.535(7) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.526(8) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.516(8) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.526(7) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C72 1.536(7) . ?
C67 C68 1.541(7) . ?
C67 H67 1.0000 . ?
C68 C69 1.523(7) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C70 1.516(9) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.521(8) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.518(8) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73A C74A 1.3900 . ?
C73A C78A 1.3900 . ?
C74A C75A 1.3900 . ?
C74A H74A 0.9500 . ?
C75A C76A 1.3900 . ?
C75A H75A 0.9500 . ?
C76A C77A 1.3900 . ?
C76A H76A 0.9500 . ?
C77A C78A 1.3900 . ?
C77A H77A 0.9500 . ?
C78A H78A 0.9500 . ?
C73B C74B 1.3900 . ?
C73B C78B 1.3900 . ?
C74B C75B 1.3900 . ?
C74B H74B 0.9500 . ?
C75B C76B 1.3900 . ?
C75B H75B 0.9500 . ?
C76B C77B 1.3900 . ?
C76B H76B 0.9500 . ?
C77B C78B 1.3900 . ?
C77B H77B 0.9500 . ?
C78B H78B 0.9500 . ?
C79A C80A 1.3900 . ?
C79A C84A 1.3900 . ?
C80A C81A 1.3900 . ?
C80A H80A 0.9500 . ?
C81A C82A 1.3900 . ?
C81A H81A 0.9500 . ?
C82A C83A 1.3900 . ?
C82A H82A 0.9500 . ?
C83A C84A 1.3900 . ?
C83A H83A 0.9500 . ?
C84A H84A 0.9500 . ?
C79B C80B 1.3900 . ?
C79B C84B 1.3900 . ?
C80B C81B 1.3900 . ?
C80B H80B 0.9500 . ?
C81B C82B 1.3900 . ?
C81B H81B 0.9500 . ?
C82B C83B 1.3900 . ?
C82B H82B 0.9500 . ?
C83B C84B 1.3900 . ?
C83B H83B 0.9500 . ?
C84B H84B 0.9500 . ?
