#------------------------------------------------------------------------------
#$Date: 2020-07-06 06:06:05 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253894 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/81/1558137.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_1558137
loop_
_publ_author_name
'Ponduru, Tharun Teja'
'Wang, Guocang'
'Manoj, Sai'
'Pan, Sudip'
'Zhao, Lili'
'Frenking, Gernot'
'Dias, H. V. Rasika'
_publ_section_title
;
 Synthesis and characterization of heterometallic complexes involving
 coinage metals and isoelectronic Fe(CO)₅,
 [Mn(CO)₅]⁻ and [Fe(CO)₄CN]⁻
 ligands.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8566
_journal_page_last               8581
_journal_paper_doi               10.1039/d0dt01590c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C27 H35 Au Fe N O5, F6 Sb'
_chemical_formula_sum            'C27 H35 Au F6 Fe N O5 Sb'
_chemical_formula_weight         942.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-12-05
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-04-27 deposited with the CCDC.	2020-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.783(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.2376(9)
_cell_length_b                   15.3986(10)
_cell_length_c                   14.8972(9)
_cell_measurement_reflns_used    9782
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.34
_cell_measurement_theta_min      2.99
_cell_volume                     3227.8(4)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0914
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            81911
_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         30.564
_diffrn_reflns_theta_min         2.895
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.878
_exptl_absorpt_correction_T_max  0.5645
_exptl_absorpt_correction_T_min  0.5082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0828 before and 0.0670 after correction. The Ratio of minimum to maximum transmission is 0.9003. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.939
_exptl_crystal_description       cube
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.860
_refine_diff_density_min         -1.292
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         9890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0358
_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)+(0.0126P)²+7.6109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0594
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7537
_reflns_number_total             9890
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01590c2.cif
_cod_data_source_block           rad736_0m_a
_cod_depositor_comments
'Adding full bibliography for 1558136--1558141.cif.'
_cod_database_code               1558137
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.591
_shelx_estimated_absorpt_t_min   0.564
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11), C14(H14)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C19(H19A,H19B), C21(H21A,H21B)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9)
2.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C22(H22A,
 H22B,H22C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Au Au 0.70219(2) 0.60040(2) 0.44246(2) 0.01321(4) Uani 1 1 d . . . . .
Fe Fe 0.75724(4) 0.51573(3) 0.58973(3) 0.01387(11) Uani 1 1 d . . . . .
O1 O 0.8480(2) 0.41663(19) 0.75187(19) 0.0279(7) Uani 1 1 d . . . . .
O2 O 0.5826(2) 0.58422(19) 0.6497(2) 0.0314(7) Uani 1 1 d . . . . .
O3 O 0.8513(2) 0.6866(2) 0.6232(2) 0.0328(7) Uani 1 1 d . . . . .
O4 O 0.90505(19) 0.46145(18) 0.48309(19) 0.0240(6) Uani 1 1 d . . . . .
O5 O 0.6262(2) 0.3881(2) 0.4875(2) 0.0326(7) Uani 1 1 d . . . . .
N N 0.6876(2) 0.73846(18) 0.30395(19) 0.0106(6) Uani 1 1 d . . . . .
C1 C 0.6579(2) 0.6627(2) 0.3242(2) 0.0109(7) Uani 1 1 d . . . . .
C2 C 0.6422(2) 0.7726(2) 0.2106(2) 0.0129(7) Uani 1 1 d . . . . .
C3 C 0.5863(3) 0.6925(2) 0.1715(2) 0.0134(7) Uani 1 1 d . . . . .
H3A H 0.617714 0.665504 0.123587 0.016 Uiso 1 1 calc R . . . .
H3B H 0.520914 0.709321 0.144484 0.016 Uiso 1 1 calc R . . . .
C4 C 0.5836(2) 0.6277(2) 0.2511(2) 0.0125(7) Uani 1 1 d . . . . .
C5 C 0.7556(2) 0.7891(2) 0.3659(2) 0.0126(7) Uani 1 1 d . . . . .
C6 C 0.8523(3) 0.7828(2) 0.3592(2) 0.0149(7) Uani 1 1 d . . . . .
C7 C 0.9147(3) 0.8357(3) 0.4167(3) 0.0211(8) Uani 1 1 d . . . . .
H7 H 0.980785 0.833763 0.413204 0.025 Uiso 1 1 calc R . . . .
C8 C 0.8824(3) 0.8902(3) 0.4780(3) 0.0222(9) Uani 1 1 d . . . . .
H8 H 0.925841 0.926984 0.514968 0.027 Uiso 1 1 calc R . . . .
C9 C 0.7869(3) 0.8923(3) 0.4865(3) 0.0214(8) Uani 1 1 d . . . . .
H9 H 0.766033 0.929078 0.530676 0.026 Uiso 1 1 calc R . . . .
C10 C 0.7211(3) 0.8412(2) 0.4313(2) 0.0161(8) Uani 1 1 d . . . . .
C11 C 0.8925(3) 0.7173(3) 0.2994(3) 0.0185(8) Uani 1 1 d . . . . .
H11 H 0.838029 0.689527 0.259347 0.022 Uiso 1 1 calc R . . . .
C12 C 0.9582(3) 0.7578(3) 0.2385(3) 0.0267(9) Uani 1 1 d . . . . .
H12A H 0.924235 0.804161 0.201757 0.040 Uiso 1 1 calc GR . . . .
H12B H 0.977889 0.713174 0.198339 0.040 Uiso 1 1 calc GR . . . .
H12C H 1.014414 0.782109 0.276283 0.040 Uiso 1 1 calc GR . . . .
C13 C 0.9456(3) 0.6461(3) 0.3591(3) 0.0303(10) Uani 1 1 d . . . . .
H13A H 1.001446 0.671323 0.396744 0.045 Uiso 1 1 calc GR . . . .
H13B H 0.966003 0.600619 0.320310 0.045 Uiso 1 1 calc GR . . . .
H13C H 0.903342 0.621032 0.398299 0.045 Uiso 1 1 calc GR . . . .
C14 C 0.6174(3) 0.8420(3) 0.4467(3) 0.0196(8) Uani 1 1 d . . . . .
H14 H 0.579561 0.807510 0.396960 0.024 Uiso 1 1 calc R . . . .
C15 C 0.5765(3) 0.9338(3) 0.4436(3) 0.0365(12) Uani 1 1 d . . . . .
H15A H 0.609125 0.967511 0.494850 0.055 Uiso 1 1 calc GR . . . .
H15B H 0.508468 0.930992 0.447352 0.055 Uiso 1 1 calc GR . . . .
H15C H 0.585699 0.961796 0.386476 0.055 Uiso 1 1 calc GR . . . .
C16 C 0.6081(3) 0.7980(3) 0.5372(3) 0.0329(11) Uani 1 1 d . . . . .
H16A H 0.633293 0.738742 0.537369 0.049 Uiso 1 1 calc GR . . . .
H16B H 0.540961 0.795961 0.544787 0.049 Uiso 1 1 calc GR . . . .
H16C H 0.644014 0.831079 0.587181 0.049 Uiso 1 1 calc GR . . . .
C17 C 0.7175(3) 0.8003(2) 0.1539(2) 0.0176(8) Uani 1 1 d . . . . .
H17A H 0.755598 0.847601 0.184723 0.026 Uiso 1 1 calc GR . . . .
H17B H 0.686549 0.820144 0.094139 0.026 Uiso 1 1 calc GR . . . .
H17C H 0.758911 0.750785 0.146278 0.026 Uiso 1 1 calc GR . . . .
C18 C 0.5778(3) 0.8502(2) 0.2228(3) 0.0178(8) Uani 1 1 d . . . . .
H18A H 0.526479 0.831438 0.255311 0.027 Uiso 1 1 calc GR . . . .
H18B H 0.550551 0.873100 0.163070 0.027 Uiso 1 1 calc GR . . . .
H18C H 0.615183 0.895688 0.257758 0.027 Uiso 1 1 calc GR . . . .
C19 C 0.6068(3) 0.5345(2) 0.2262(3) 0.0187(8) Uani 1 1 d . . . . .
H19A H 0.596309 0.495603 0.276627 0.022 Uiso 1 1 calc R . . . .
H19B H 0.562161 0.516839 0.171724 0.022 Uiso 1 1 calc R . . . .
C20 C 0.7079(3) 0.5219(3) 0.2073(3) 0.0247(9) Uani 1 1 d . . . . .
H20A H 0.719090 0.559984 0.157269 0.037 Uiso 1 1 calc GR . . . .
H20B H 0.716914 0.461296 0.190566 0.037 Uiso 1 1 calc GR . . . .
H20C H 0.752794 0.536414 0.261853 0.037 Uiso 1 1 calc GR . . . .
C21 C 0.4887(2) 0.6325(3) 0.2898(3) 0.0184(8) Uani 1 1 d . . . . .
H21A H 0.493883 0.595175 0.344377 0.022 Uiso 1 1 calc R . . . .
H21B H 0.479392 0.692970 0.309287 0.022 Uiso 1 1 calc R . . . .
C22 C 0.4008(3) 0.6049(3) 0.2237(3) 0.0266(9) Uani 1 1 d . . . . .
H22A H 0.396150 0.639717 0.168157 0.040 Uiso 1 1 calc GR . . . .
H22B H 0.343788 0.613830 0.252049 0.040 Uiso 1 1 calc GR . . . .
H22C H 0.406063 0.543290 0.208564 0.040 Uiso 1 1 calc GR . . . .
C23 C 0.8109(3) 0.4548(3) 0.6926(3) 0.0190(8) Uani 1 1 d . . . . .
C24 C 0.6510(3) 0.5599(3) 0.6298(3) 0.0207(8) Uani 1 1 d . . . . .
C25 C 0.8146(3) 0.6217(3) 0.6110(3) 0.0228(9) Uani 1 1 d . . . . .
C26 C 0.8483(3) 0.4830(2) 0.5236(3) 0.0172(8) Uani 1 1 d . . . . .
C27 C 0.6772(3) 0.4355(3) 0.5274(3) 0.0212(8) Uani 1 1 d . . . . .
Sb Sb 0.25506(2) 0.83062(2) 0.39198(2) 0.01901(6) Uani 1 1 d . . . . .
F1 F 0.2912(2) 0.8537(2) 0.51512(18) 0.0532(9) Uani 1 1 d . . . . .
F2 F 0.1383(2) 0.8849(2) 0.3949(3) 0.0648(10) Uani 1 1 d . . . . .
F3 F 0.3047(2) 0.93751(18) 0.3624(2) 0.0482(8) Uani 1 1 d . . . . .
F4 F 0.2184(2) 0.8067(2) 0.26880(18) 0.0559(9) Uani 1 1 d . . . . .
F5 F 0.2011(2) 0.72437(17) 0.42019(18) 0.0436(7) Uani 1 1 d . . . . .
F6 F 0.3709(2) 0.7770(2) 0.3885(2) 0.0640(10) 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'
Au Au -2.0133 8.8022 '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'
N N 0.0061 0.0033 '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'
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 Au Fe 177.85(10) . . ?
C23 Fe Au 173.46(12) . . ?
C24 Fe Au 86.03(12) . . ?
C24 Fe C23 99.99(17) . . ?
C25 Fe Au 76.40(13) . . ?
C25 Fe C23 101.02(17) . . ?
C25 Fe C24 88.93(17) . . ?
C25 Fe C27 156.09(18) . . ?
C26 Fe Au 80.07(12) . . ?
C26 Fe C23 94.01(17) . . ?
C26 Fe C24 165.87(17) . . ?
C26 Fe C25 90.28(17) . . ?
C26 Fe C27 88.75(17) . . ?
C27 Fe Au 79.90(12) . . ?
C27 Fe C23 102.88(17) . . ?
C27 Fe C24 86.29(18) . . ?
C1 N C2 114.4(3) . . ?
C1 N C5 123.0(3) . . ?
C5 N C2 122.5(3) . . ?
N C1 Au 124.2(3) . . ?
N C1 C4 112.0(3) . . ?
C4 C1 Au 123.7(2) . . ?
C3 C2 N 101.0(3) . . ?
C3 C2 C18 112.7(3) . . ?
C17 C2 N 111.3(3) . . ?
C17 C2 C3 112.5(3) . . ?
C17 C2 C18 109.4(3) . . ?
C18 C2 N 109.6(3) . . ?
C2 C3 H3A 110.2 . . ?
C2 C3 H3B 110.2 . . ?
C2 C3 C4 107.4(3) . . ?
H3A C3 H3B 108.5 . . ?
C4 C3 H3A 110.2 . . ?
C4 C3 H3B 110.2 . . ?
C1 C4 C3 103.1(3) . . ?
C1 C4 C19 111.0(3) . . ?
C1 C4 C21 105.7(3) . . ?
C19 C4 C3 112.7(3) . . ?
C19 C4 C21 111.6(3) . . ?
C21 C4 C3 112.2(3) . . ?
C6 C5 N 118.9(3) . . ?
C6 C5 C10 122.8(3) . . ?
C10 C5 N 118.3(3) . . ?
C5 C6 C11 123.6(3) . . ?
C7 C6 C5 117.1(3) . . ?
C7 C6 C11 119.1(3) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.2(4) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(4) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 121.0(4) . . ?
C10 C9 H9 119.5 . . ?
C5 C10 C14 123.8(3) . . ?
C9 C10 C5 117.1(3) . . ?
C9 C10 C14 119.0(3) . . ?
C6 C11 H11 108.0 . . ?
C6 C11 C12 113.4(3) . . ?
C6 C11 C13 109.4(3) . . ?
C12 C11 H11 108.0 . . ?
C12 C11 C13 110.0(3) . . ?
C13 C11 H11 108.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14 107.9 . . ?
C10 C14 C16 110.2(3) . . ?
C15 C14 C10 112.0(3) . . ?
C15 C14 H14 107.9 . . ?
C15 C14 C16 110.6(3) . . ?
C16 C14 H14 107.9 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2 C17 H17A 109.5 . . ?
C2 C17 H17B 109.5 . . ?
C2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C2 C18 H18A 109.5 . . ?
C2 C18 H18B 109.5 . . ?
C2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C4 C19 H19A 108.7 . . ?
C4 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C20 C19 C4 114.2(3) . . ?
C20 C19 H19A 108.7 . . ?
C20 C19 H19B 108.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C4 C21 H21A 108.5 . . ?
C4 C21 H21B 108.5 . . ?
H21A C21 H21B 107.5 . . ?
C22 C21 C4 114.9(3) . . ?
C22 C21 H21A 108.5 . . ?
C22 C21 H21B 108.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 C23 Fe 175.5(3) . . ?
O2 C24 Fe 175.5(4) . . ?
O3 C25 Fe 178.7(4) . . ?
O4 C26 Fe 179.0(4) . . ?
O5 C27 Fe 177.8(4) . . ?
F1 Sb F2 90.25(16) . . ?
F1 Sb F3 90.36(13) . . ?
F1 Sb F4 179.56(14) . . ?
F1 Sb F5 90.39(12) . . ?
F2 Sb F3 88.94(14) . . ?
F2 Sb F5 89.36(14) . . ?
F3 Sb F5 178.14(13) . . ?
F4 Sb F2 89.70(16) . . ?
F4 Sb F3 90.07(13) . . ?
F4 Sb F5 89.17(13) . . ?
F6 Sb F1 90.00(16) . . ?
F6 Sb F2 179.70(17) . . ?
F6 Sb F3 90.88(15) . . ?
F6 Sb F4 90.06(16) . . ?
F6 Sb F5 90.82(15) . . ?
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
Au Fe 2.5696(5) . ?
Au C1 2.020(3) . ?
Fe C23 1.859(4) . ?
Fe C24 1.838(4) . ?
Fe C25 1.831(4) . ?
Fe C26 1.815(4) . ?
Fe C27 1.835(4) . ?
O1 C23 1.123(4) . ?
O2 C24 1.126(5) . ?
O3 C25 1.129(5) . ?
O4 C26 1.130(4) . ?
O5 C27 1.132(5) . ?
N C1 1.293(4) . ?
N C2 1.535(4) . ?
N C5 1.458(4) . ?
C1 C4 1.498(5) . ?
C2 C3 1.534(5) . ?
C2 C17 1.523(5) . ?
C2 C18 1.534(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.555(5) . ?
C4 C19 1.530(5) . ?
C4 C21 1.549(5) . ?
C5 C6 1.399(5) . ?
C5 C10 1.406(5) . ?
C6 C7 1.397(5) . ?
C6 C11 1.514(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.372(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.393(5) . ?
C10 C14 1.528(5) . ?
C11 H11 1.0000 . ?
C11 C12 1.532(5) . ?
C11 C13 1.536(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14 1.0000 . ?
C14 C15 1.528(6) . ?
C14 C16 1.532(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.520(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.530(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Sb F1 1.862(3) . ?
Sb F2 1.867(3) . ?
Sb F3 1.870(3) . ?
Sb F4 1.866(3) . ?
Sb F5 1.882(3) . ?
Sb F6 1.852(3) . ?
