#------------------------------------------------------------------------------
#$Date: 2019-11-23 11:23:02 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233064 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/85/4348537.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_4348537
loop_
_publ_author_name
'Rampazzi, Vincent'
'Roger, Julien'
'Amardeil, Régine'
'Penouilh, Marie-José'
'Richard, Philippe'
'Fleurat-Lessard, Paul'
'Hierso, Jean-Cyrille'
_publ_section_title
;
 Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride
 Formation and Phosphine-Concerted Shuttling of a Dinuclear
 [ClAu···AuCl] Fragment.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10907
_journal_page_last               10921
_journal_paper_doi               10.1021/acs.inorgchem.6b01318
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C52 H68 Au2 Cl2 Fe O2 P2 Si2'
_chemical_formula_sum            'C52 H68 Au2 Cl2 Fe O2 P2 Si2'
_chemical_formula_weight         1363.86
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2014-06-19
_audit_creation_method
;
Olex2 1.2
(compiled 2014.06.18 svn.r2945 for OlexSys, GUI svn.r4846)
;
_cell_angle_alpha                90
_cell_angle_beta                 108.1990(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.6943(5)
_cell_length_b                   17.5593(5)
_cell_length_c                   16.7946(5)
_cell_measurement_reflns_used    9839
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.238
_cell_measurement_theta_min      3.23
_cell_volume                     5237.2(3)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.01
_diffrn_detector                 CMOS
_diffrn_detector_area_resol_mean '1024 x 1024'
_diffrn_detector_type            'Photon 100'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Mo'
_diffrn_measurement_method       'φ and ω scans''
_diffrn_radiation_collimation    '0.6 mm'
_diffrn_radiation_monochromator  'TRIUMPH curved crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.883
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            46159
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.883
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.725
_diffrn_reflns_theta_min         2.850
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'Siemens KFF Mo 2K-90C'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.109
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/2 (Bruker,2014) was used for absorption correction.
wR2(int) was 0.0517 before and 0.0431 after correction.
The Ratio of minimum to maximum transmission is 0.9126.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_description       prism
_exptl_crystal_F_000             2688
_exptl_crystal_recrystallization_method
'The material was recrystallised from --- by slow evaporation'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.899
_refine_diff_density_min         -0.675
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         7841
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0193
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0062P)²+13.8191P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0355
_refine_ls_wR_factor_ref         0.0377
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6666
_reflns_number_total             7841
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b01318_si_002.cif
_cod_data_source_block           10
_cod_database_code               4348537
_shelxl_version_number           2014-3
_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   0.580
_shelx_estimated_absorpt_t_min   0.580
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C2(H2), C5(H5), C9(H9), C6(H6), C12(H12)
2.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C20(H20), C19(H19),
 C18(H18), C17(H17), C16(H16)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C8(H8A,H8B,H8C), C7(H7A,H7B,H7C),
 C14(H14A,H14B,H14C), C13(H13A,H13B,H13C)
;
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a MITIGEN holder oil'
_olex2_submission_original_sample_id OSiTbu
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Au1 Au 0.28840(2) 0.25519(2) 0.28006(2) 0.01230(2) Uani 1 1 d . . .
Si1 Si 0.65447(3) 0.02716(3) 0.40169(4) 0.01357(10) Uani 1 1 d . . .
Cl1 Cl 0.17851(3) 0.21009(3) 0.18921(3) 0.02247(11) Uani 1 1 d . . .
Fe1 Fe 0.5000 0.21907(2) 0.2500 0.00805(7) Uani 1 2 d S T P
P1 P 0.39774(3) 0.30058(3) 0.36355(3) 0.01021(9) Uani 1 1 d . . .
C1 C 0.47892(10) 0.25030(10) 0.35622(11) 0.0100(3) Uani 1 1 d . . .
C4 C 0.59762(11) 0.21985(11) 0.35086(12) 0.0116(3) Uani 1 1 d . . .
H4 H 0.6500 0.2243 0.3477 0.014 Uiso 1 1 calc R . .
C3 C 0.55794(11) 0.15066(10) 0.35115(11) 0.0105(3) Uani 1 1 d . . .
C2 C 0.48421(10) 0.16860(10) 0.35297(11) 0.0105(3) Uani 1 1 d . . .
H2 H 0.4438 0.1313 0.3529 0.013 Uiso 1 1 calc R . .
C21 C 0.41388(11) 0.39900(11) 0.34149(12) 0.0127(4) Uani 1 1 d . . .
C22 C 0.47043(12) 0.44171(11) 0.39767(13) 0.0169(4) Uani 1 1 d . . .
H22 H 0.5002 0.4197 0.4490 0.020 Uiso 1 1 calc R . .
C23 C 0.48319(13) 0.51662(12) 0.37840(14) 0.0196(4) Uani 1 1 d . . .
H23 H 0.5222 0.5455 0.4162 0.024 Uiso 1 1 calc R . .
C24 C 0.43892(13) 0.54914(12) 0.30400(15) 0.0226(5) Uani 1 1 d . . .
H24 H 0.4470 0.6006 0.2916 0.027 Uiso 1 1 calc R . .
C25 C 0.38301(13) 0.50683(13) 0.24776(16) 0.0244(5) Uani 1 1 d . . .
H25 H 0.3533 0.5292 0.1966 0.029 Uiso 1 1 calc R . .
C26 C 0.37029(12) 0.43155(12) 0.26609(13) 0.0181(4) Uani 1 1 d . . .
H26 H 0.3321 0.4025 0.2274 0.022 Uiso 1 1 calc R . .
C15 C 0.40563(11) 0.29609(11) 0.47398(12) 0.0122(4) Uani 1 1 d . . .
C20 C 0.47237(11) 0.27383(11) 0.53440(12) 0.0145(4) Uani 1 1 d . . .
H20 H 0.5158 0.2629 0.5185 0.017 Uiso 1 1 calc R . .
C19 C 0.47529(12) 0.26761(12) 0.61826(13) 0.0177(4) Uani 1 1 d . . .
H19 H 0.5206 0.2521 0.6593 0.021 Uiso 1 1 calc R . .
C18 C 0.41203(12) 0.28406(12) 0.64156(13) 0.0178(4) Uani 1 1 d . . .
H18 H 0.4142 0.2800 0.6987 0.021 Uiso 1 1 calc R . .
C17 C 0.34551(13) 0.30650(12) 0.58177(14) 0.0195(4) Uani 1 1 d . . .
H17 H 0.3024 0.3180 0.5981 0.023 Uiso 1 1 calc R . .
C16 C 0.34198(12) 0.31220(12) 0.49785(13) 0.0170(4) Uani 1 1 d . . .
H16 H 0.2963 0.3270 0.4569 0.020 Uiso 1 1 calc R . .
C5 C 0.54956(11) 0.28179(11) 0.35512(12) 0.0113(3) Uani 1 1 d . . .
H5 H 0.5626 0.3371 0.3569 0.014 Uiso 1 1 calc R . .
O1 O 0.58178(8) 0.07913(8) 0.34352(9) 0.0151(3) Uani 1 1 d . . .
C9 C 0.67831(12) -0.03323(12) 0.32087(13) 0.0185(4) Uani 1 1 d . . .
H9 H 0.7257 -0.0616 0.3497 0.022 Uiso 1 1 calc R . .
C10 C 0.61787(16) -0.09184(14) 0.27820(17) 0.0318(6) Uani 1 1 d . . .
H10A H 0.6135 -0.1294 0.3196 0.048 Uiso 1 1 calc GR . .
H10B H 0.6320 -0.1177 0.2336 0.048 Uiso 1 1 calc GR . .
H10C H 0.5695 -0.0660 0.2541 0.048 Uiso 1 1 calc GR . .
C11 C 0.69391(15) 0.01848(14) 0.25415(16) 0.0278(5) Uani 1 1 d . . .
H11A H 0.6486 0.0480 0.2259 0.042 Uiso 1 1 calc GR . .
H11B H 0.7077 -0.0129 0.2130 0.042 Uiso 1 1 calc GR . .
H11C H 0.7354 0.0533 0.2812 0.042 Uiso 1 1 calc GR . .
C6 C 0.61821(12) -0.02608(12) 0.47867(13) 0.0180(4) Uani 1 1 d . . .
H6 H 0.6149 0.0118 0.5218 0.022 Uiso 1 1 calc R . .
C8 C 0.67262(14) -0.08859(14) 0.52563(15) 0.0265(5) Uani 1 1 d . . .
H8A H 0.6758 -0.1285 0.4861 0.040 Uiso 1 1 calc GR . .
H8B H 0.6541 -0.1106 0.5691 0.040 Uiso 1 1 calc GR . .
H8C H 0.7226 -0.0665 0.5517 0.040 Uiso 1 1 calc GR . .
C7 C 0.53844(13) -0.05879(13) 0.43998(15) 0.0235(5) Uani 1 1 d . . .
H7A H 0.5041 -0.0180 0.4118 0.035 Uiso 1 1 calc GR . .
H7B H 0.5211 -0.0808 0.4843 0.035 Uiso 1 1 calc GR . .
H7C H 0.5394 -0.0984 0.3992 0.035 Uiso 1 1 calc GR . .
C12 C 0.73596(12) 0.09126(13) 0.45644(15) 0.0217(4) Uani 1 1 d . . .
H12 H 0.7375 0.1316 0.4150 0.026 Uiso 1 1 calc R . .
C14 C 0.81349(13) 0.05090(16) 0.48071(19) 0.0352(6) Uani 1 1 d . . .
H14A H 0.8150 0.0107 0.5217 0.053 Uiso 1 1 calc GR . .
H14B H 0.8534 0.0881 0.5052 0.053 Uiso 1 1 calc GR . .
H14C H 0.8211 0.0284 0.4306 0.053 Uiso 1 1 calc GR . .
C13 C 0.72562(15) 0.13313(15) 0.53258(16) 0.0310(6) Uani 1 1 d . . .
H13A H 0.6762 0.1579 0.5163 0.046 Uiso 1 1 calc GR . .
H13B H 0.7651 0.1717 0.5523 0.046 Uiso 1 1 calc GR . .
H13C H 0.7290 0.0965 0.5776 0.046 Uiso 1 1 calc GR . .
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'
O O 0.0106 0.0060 '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'
Si Si 0.0817 0.0704 '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
P1 Au1 Cl1 177.213(19) . .
O1 Si1 C9 102.59(9) . .
O1 Si1 C6 105.69(8) . .
O1 Si1 C12 110.11(9) . .
C9 Si1 C6 115.59(10) . .
C9 Si1 C12 110.53(10) . .
C6 Si1 C12 111.74(10) . .
C1 Fe1 C1 148.49(11) 2_655 .
C1 Fe1 C4 110.88(7) . 2_655
C1 Fe1 C4 110.88(7) 2_655 .
C1 Fe1 C4 68.90(7) 2_655 2_655
C1 Fe1 C4 68.90(7) . .
C1 Fe1 C3 132.90(7) 2_655 .
C1 Fe1 C3 68.41(7) . .
C1 Fe1 C3 68.41(7) 2_655 2_655
C1 Fe1 C3 132.90(7) . 2_655
C1 Fe1 C2 169.83(8) 2_655 .
C1 Fe1 C2 41.50(7) 2_655 2_655
C1 Fe1 C2 41.50(7) . .
C1 Fe1 C2 169.83(8) . 2_655
C1 Fe1 C5 117.16(7) 2_655 .
C1 Fe1 C5 117.16(7) . 2_655
C1 Fe1 C5 41.45(7) . .
C1 Fe1 C5 41.45(7) 2_655 2_655
C4 Fe1 C4 179.25(11) 2_655 .
C4 Fe1 C3 40.11(7) . .
C4 Fe1 C3 140.57(8) 2_655 .
C4 Fe1 C3 40.11(7) 2_655 2_655
C4 Fe1 C3 140.56(8) . 2_655
C3 Fe1 C3 109.69(10) . 2_655
C2 Fe1 C4 68.49(7) 2_655 2_655
C2 Fe1 C4 111.86(7) 2_655 .
C2 Fe1 C4 68.49(7) . .
C2 Fe1 C4 111.86(7) . 2_655
C2 Fe1 C3 40.29(7) 2_655 2_655
C2 Fe1 C3 105.29(7) 2_655 .
C2 Fe1 C3 40.29(7) . .
C2 Fe1 C3 105.29(7) . 2_655
C2 Fe1 C2 128.64(10) 2_655 .
C5 Fe1 C4 138.73(8) 2_655 .
C5 Fe1 C4 138.73(8) . 2_655
C5 Fe1 C4 40.65(7) 2_655 2_655
C5 Fe1 C4 40.65(7) . .
C5 Fe1 C3 68.07(7) 2_655 2_655
C5 Fe1 C3 68.06(7) . .
C5 Fe1 C3 174.21(7) 2_655 .
C5 Fe1 C3 174.21(7) . 2_655
C5 Fe1 C2 144.97(7) 2_655 .
C5 Fe1 C2 69.44(7) 2_655 2_655
C5 Fe1 C2 69.44(7) . .
C5 Fe1 C2 144.97(7) . 2_655
C5 Fe1 C5 114.69(11) 2_655 .
C1 P1 Au1 114.17(6) . .
C1 P1 C21 104.89(9) . .
C1 P1 C15 104.38(9) . .
C21 P1 Au1 112.96(7) . .
C21 P1 C15 106.53(9) . .
C15 P1 Au1 113.09(7) . .
P1 C1 Fe1 126.68(10) . .
C2 C1 Fe1 70.20(10) . .
C2 C1 P1 124.25(14) . .
C5 C1 Fe1 70.09(10) . .
C5 C1 P1 127.76(14) . .
C5 C1 C2 107.97(16) . .
Fe1 C4 H4 125.9 . .
C3 C4 Fe1 70.71(11) . .
C3 C4 H4 125.9 . .
C3 C4 C5 108.26(16) . .
C5 C4 Fe1 68.74(11) . .
C5 C4 H4 125.9 . .
C4 C3 Fe1 69.18(11) . .
C2 C3 Fe1 68.29(10) . .
C2 C3 C4 108.67(16) . .
O1 C3 Fe1 124.08(13) . .
O1 C3 C4 127.20(17) . .
O1 C3 C2 123.89(17) . .
Fe1 C2 H2 126.3 . .
C1 C2 Fe1 68.29(10) . .
C1 C2 H2 126.3 . .
C3 C2 Fe1 71.41(11) . .
C3 C2 C1 107.44(16) . .
C3 C2 H2 126.3 . .
C22 C21 P1 120.90(15) . .
C22 C21 C26 119.83(18) . .
C26 C21 P1 119.24(15) . .
C21 C22 H22 120.0 . .
C23 C22 C21 119.9(2) . .
C23 C22 H22 120.0 . .
C22 C23 H23 120.0 . .
C24 C23 C22 120.0(2) . .
C24 C23 H23 120.0 . .
C23 C24 H24 119.9 . .
C25 C24 C23 120.3(2) . .
C25 C24 H24 119.9 . .
C24 C25 H25 119.9 . .
C24 C25 C26 120.1(2) . .
C26 C25 H25 119.9 . .
C21 C26 H26 120.1 . .
C25 C26 C21 119.8(2) . .
C25 C26 H26 120.1 . .
C20 C15 P1 121.58(15) . .
C20 C15 C16 119.72(18) . .
C16 C15 P1 118.64(15) . .
C15 C20 H20 120.0 . .
C15 C20 C19 119.97(19) . .
C19 C20 H20 120.0 . .
C20 C19 H19 120.0 . .
C18 C19 C20 119.99(19) . .
C18 C19 H19 120.0 . .
C19 C18 H18 119.8 . .
C19 C18 C17 120.32(19) . .
C17 C18 H18 119.8 . .
C18 C17 H17 120.0 . .
C18 C17 C16 120.0(2) . .
C16 C17 H17 120.0 . .
C15 C16 H16 120.0 . .
C17 C16 C15 119.98(19) . .
C17 C16 H16 120.0 . .
Fe1 C5 H5 126.2 . .
C1 C5 Fe1 68.46(10) . .
C1 C5 H5 126.2 . .
C4 C5 Fe1 70.61(11) . .
C4 C5 C1 107.63(16) . .
C4 C5 H5 126.2 . .
C3 O1 Si1 133.03(13) . .
Si1 C9 H9 107.8 . .
C10 C9 Si1 114.20(15) . .
C10 C9 H9 107.8 . .
C10 C9 C11 109.6(2) . .
C11 C9 Si1 109.51(15) . .
C11 C9 H9 107.8 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si1 C6 H6 106.5 . .
C8 C6 Si1 112.60(15) . .
C8 C6 H6 106.5 . .
C8 C6 C7 110.41(18) . .
C7 C6 Si1 113.83(15) . .
C7 C6 H6 106.5 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si1 C12 H12 106.2 . .
C14 C12 Si1 113.71(17) . .
C14 C12 H12 106.2 . .
C13 C12 Si1 113.47(17) . .
C13 C12 H12 106.2 . .
C13 C12 C14 110.5(2) . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Cl1 2.2843(5) .
Au1 P1 2.2336(5) .
Si1 O1 1.6746(14) .
Si1 C9 1.882(2) .
Si1 C6 1.885(2) .
Si1 C12 1.886(2) .
Fe1 C1 2.0193(17) .
Fe1 C1 2.0192(17) 2_655
Fe1 C4 2.0661(19) 2_655
Fe1 C4 2.0661(19) .
Fe1 C3 2.0863(18) .
Fe1 C3 2.0863(18) 2_655
Fe1 C2 2.0449(18) 2_655
Fe1 C2 2.0450(18) .
Fe1 C5 2.0412(18) .
Fe1 C5 2.0412(18) 2_655
P1 C1 1.7928(18) .
P1 C21 1.812(2) .
P1 C15 1.816(2) .
C1 C2 1.440(2) .
C1 C5 1.437(3) .
C4 H4 1.0000 .
C4 C3 1.424(3) .
C4 C5 1.427(3) .
C3 C2 1.423(3) .
C3 O1 1.352(2) .
C2 H2 1.0000 .
C21 C22 1.395(3) .
C21 C26 1.396(3) .
C22 H22 0.9500 .
C22 C23 1.393(3) .
C23 H23 0.9500 .
C23 C24 1.388(3) .
C24 H24 0.9500 .
C24 C25 1.386(3) .
C25 H25 0.9500 .
C25 C26 1.394(3) .
C26 H26 0.9500 .
C15 C20 1.396(3) .
C15 C16 1.398(3) .
C20 H20 0.9500 .
C20 C19 1.397(3) .
C19 H19 0.9500 .
C19 C18 1.387(3) .
C18 H18 0.9500 .
C18 C17 1.389(3) .
C17 H17 0.9500 .
C17 C16 1.394(3) .
C16 H16 0.9500 .
C5 H5 1.0000 .
C9 H9 1.0000 .
C9 C10 1.531(3) .
C9 C11 1.539(3) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C6 H6 1.0000 .
C6 C8 1.536(3) .
C6 C7 1.540(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C12 H12 1.0000 .
C12 C14 1.549(3) .
C12 C13 1.539(3) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
Au1 P1 C1 Fe1 46.55(13)
Au1 P1 C1 C2 -43.23(17)
Au1 P1 C1 C5 138.83(15)
Au1 P1 C21 C22 166.24(14)
Au1 P1 C21 C26 -15.52(18)
Au1 P1 C15 C20 138.40(15)
Au1 P1 C15 C16 -38.74(17)
Fe1 C1 C2 C3 61.01(13)
Fe1 C1 C5 C4 -60.01(13)
Fe1 C4 C3 C2 -56.89(13)
Fe1 C4 C3 O1 117.65(19)
Fe1 C4 C5 C1 58.65(12)
Fe1 C3 C2 C1 -59.03(12)
Fe1 C3 O1 Si1 150.45(12)
P1 C1 C2 Fe1 121.53(14)
P1 C1 C2 C3 -177.46(13)
P1 C1 C5 Fe1 -121.54(15)
P1 C1 C5 C4 178.46(14)
P1 C21 C22 C23 178.26(16)
P1 C21 C26 C25 -178.93(17)
P1 C15 C20 C19 -177.00(15)
P1 C15 C16 C17 177.63(16)
C1 P1 C21 C22 -68.81(18)
C1 P1 C21 C26 109.43(17)
C1 P1 C15 C20 13.73(18)
C1 P1 C15 C16 -163.41(16)
C4 C3 C2 Fe1 57.43(13)
C4 C3 C2 C1 -1.6(2)
C4 C3 O1 Si1 61.9(3)
C3 C4 C5 Fe1 -59.88(13)
C3 C4 C5 C1 -1.2(2)
C2 C1 C5 Fe1 60.26(12)
C2 C1 C5 C4 0.3(2)
C2 C3 O1 Si1 -124.34(18)
C21 P1 C1 Fe1 -77.63(13)
C21 P1 C1 C2 -167.41(16)
C21 P1 C1 C5 14.65(19)
C21 P1 C15 C20 -96.93(17)
C21 P1 C15 C16 85.93(17)
C21 C22 C23 C24 1.0(3)
C22 C21 C26 C25 -0.7(3)
C22 C23 C24 C25 -1.4(3)
C23 C24 C25 C26 0.8(4)
C24 C25 C26 C21 0.3(3)
C26 C21 C22 C23 0.0(3)
C15 P1 C1 Fe1 170.52(11)
C15 P1 C1 C2 80.74(17)
C15 P1 C1 C5 -97.20(17)
C15 P1 C21 C22 41.49(18)
C15 P1 C21 C26 -140.27(16)
C15 C20 C19 C18 -0.4(3)
C20 C15 C16 C17 0.4(3)
C20 C19 C18 C17 0.2(3)
C19 C18 C17 C16 0.3(3)
C18 C17 C16 C15 -0.7(3)
C16 C15 C20 C19 0.1(3)
C5 C1 C2 Fe1 -60.19(12)
C5 C1 C2 C3 0.8(2)
C5 C4 C3 Fe1 58.66(13)
C5 C4 C3 C2 1.8(2)
C5 C4 C3 O1 176.31(18)
O1 Si1 C9 C10 -67.42(18)
O1 Si1 C9 C11 55.94(17)
O1 Si1 C6 C8 168.63(16)
O1 Si1 C6 C7 41.99(17)
O1 Si1 C12 C14 -156.18(17)
O1 Si1 C12 C13 76.42(18)
O1 C3 C2 Fe1 -117.34(18)
O1 C3 C2 C1 -176.36(17)
C9 Si1 O1 C3 -147.56(18)
C9 Si1 C6 C8 55.96(19)
C9 Si1 C6 C7 -70.69(17)
C9 Si1 C12 C14 -43.5(2)
C9 Si1 C12 C13 -170.93(16)
C6 Si1 O1 C3 90.94(19)
C6 Si1 C9 C10 47.0(2)
C6 Si1 C9 C11 170.41(15)
C6 Si1 C12 C14 86.7(2)
C6 Si1 C12 C13 -40.70(19)
C12 Si1 O1 C3 -29.9(2)
C12 Si1 C9 C10 175.21(17)
C12 Si1 C9 C11 -61.44(18)
C12 Si1 C6 C8 -71.60(18)
C12 Si1 C6 C7 161.75(15)
