#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:50:29 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180157 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/53/7105354.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_7105354
loop_
_publ_author_name
'Hooper, Thomas N'
'Green, Michael'
'Russell, Christopher A'
_publ_section_title
;
 Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2313
_journal_page_last               2315
_journal_paper_doi               10.1039/b923900f
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C21 H45 Au P Si, F6 Sb'
_chemical_formula_sum            'C21 H45 Au F6 P Sb Si'
_chemical_formula_weight         789.35
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.9144(4)
_cell_length_b                   11.4962(3)
_cell_length_c                   14.8485(4)
_cell_measurement_reflns_used    9992
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.598
_cell_measurement_theta_min      2.744
_cell_volume                     2887.31(13)
_computing_cell_refinement       'Apex II (Bruker-AXS, 2007)'
_computing_data_collection       'Apex II (Bruker-AXS, 2007)'
_computing_data_reduction
;
SAINT v7.34A (Bruker-AXS, 2007) & XPREP v2005/4 (Bruker-AXS, 2005)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.366
_diffrn_detector_type            'Bruker-AXS SMART APEX'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      'frames, 0.3° width'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker-AXS Kappa'
_diffrn_measurement_method       'ω & φ scans'
_diffrn_measurement_specimen_support
;
glass fibre
;
_diffrn_radiation_collimation    '0.5 mm double pinhole'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71074
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0177
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22856
_diffrn_reflns_theta_full        29.60
_diffrn_reflns_theta_max         29.60
_diffrn_reflns_theta_min         3.29
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           40
_diffrn_source_power             2
_diffrn_source_size              '0.4 x 8 mm fine focus'
_diffrn_source_target            Mo
_diffrn_source_type              'Bruker-AXS KFF Mo 2K 90\% Ceramic'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    6.154
_exptl_absorpt_correction_T_max  0.540
_exptl_absorpt_correction_T_min  0.473
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.816
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.107
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.086
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.38(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         4204
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0218
_refine_ls_R_factor_gt           0.0174
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0172P)²+2.6821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0391
_refine_ls_wR_factor_ref         0.0408
_reflns_number_gt                3794
_reflns_number_total             4204
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b923900f.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7105354
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.121173(6) 0.127382(9) 0.88277(16) 0.01706(4) Uani 1 1 d . . .
Si1A Si 0.1770(6) -0.0758(6) 1.0321(6) 0.023(2) Uani 0.401(10) 1 d PD A 1
C1A C 0.1635(16) -0.052(2) 0.9087(12) 0.0236(14) Uani 0.401(10) 1 d PD A 1
C2A C 0.1673(14) -0.045(2) 0.8241(15) 0.0236(14) Uani 0.401(10) 1 d PD A 1
C3A C 0.1865(15) -0.067(2) 0.7239(17) 0.0360(16) Uani 0.401(10) 1 d PD A 1
C4A C 0.2069(16) -0.197(2) 0.7070(17) 0.0360(16) Uani 0.401(10) 1 d PD A 1
H4A1 H 0.1649 -0.2461 0.7319 0.054 Uiso 0.401(10) 1 calc PR A 1
H4A2 H 0.2571 -0.2156 0.7365 0.054 Uiso 0.401(10) 1 calc PR A 1
H4A3 H 0.2115 -0.2108 0.6421 0.054 Uiso 0.401(10) 1 calc PR A 1
C5A C 0.1074(14) -0.044(3) 0.6781(18) 0.0360(16) Uani 0.401(10) 1 d PD A 1
H5A1 H 0.0907 0.0361 0.6909 0.054 Uiso 0.401(10) 1 calc PR A 1
H5A2 H 0.0677 -0.0982 0.7012 0.054 Uiso 0.401(10) 1 calc PR A 1
H5A3 H 0.1130 -0.0543 0.6130 0.054 Uiso 0.401(10) 1 calc PR A 1
C6A C 0.2361(11) 0.0342(17) 0.6820(12) 0.0360(16) Uani 0.401(10) 1 d PD A 1
H6A1 H 0.2909 0.0288 0.7030 0.054 Uiso 0.401(10) 1 calc PR A 1
H6A2 H 0.2136 0.1090 0.7007 0.054 Uiso 0.401(10) 1 calc PR A 1
H6A3 H 0.2349 0.0284 0.6162 0.054 Uiso 0.401(10) 1 calc PR A 1
C7A C 0.1933(17) -0.2342(14) 1.0529(14) 0.0378(17) Uani 0.401(10) 1 d PD A 1
H7A1 H 0.2429 -0.2585 1.0244 0.057 Uiso 0.401(10) 1 calc PR A 1
H7A2 H 0.1493 -0.2787 1.0273 0.057 Uiso 0.401(10) 1 calc PR A 1
H7A3 H 0.1963 -0.2484 1.1178 0.057 Uiso 0.401(10) 1 calc PR A 1
C8A C 0.2801(9) -0.0220(15) 1.0417(11) 0.0378(17) Uani 0.401(10) 1 d PD A 1
H8A1 H 0.2809 0.0624 1.0327 0.057 Uiso 0.401(10) 1 calc PR A 1
H8A2 H 0.3130 -0.0596 0.9958 0.057 Uiso 0.401(10) 1 calc PR A 1
H8A3 H 0.3008 -0.0405 1.1016 0.057 Uiso 0.401(10) 1 calc PR A 1
C9A C 0.0811(13) -0.042(3) 1.091(2) 0.0378(17) Uani 0.401(10) 1 d PD A 1
H9A1 H 0.0376 -0.0806 1.0591 0.057 Uiso 0.401(10) 1 calc PR A 1
H9A2 H 0.0724 0.0424 1.0905 0.057 Uiso 0.401(10) 1 calc PR A 1
H9A3 H 0.0835 -0.0698 1.1530 0.057 Uiso 0.401(10) 1 calc PR A 1
Si1B Si 0.1776(4) -0.0790(6) 0.7334(5) 0.0369(19) Uani 0.599(10) 1 d PD A 2
C1B C 0.1648(11) -0.0492(16) 0.8560(9) 0.0236(14) Uani 0.599(10) 1 d PD A 2
C2B C 0.1683(10) -0.0499(16) 0.9365(10) 0.0236(14) Uani 0.599(10) 1 d PD A 2
C3B C 0.1828(13) -0.0645(15) 1.0358(13) 0.0378(17) Uani 0.599(10) 1 d PD A 2
C4B C 0.1976(12) -0.1916(13) 1.0522(11) 0.0378(17) Uani 0.599(10) 1 d PD A 2
H4B1 H 0.1563 -0.2376 1.0228 0.057 Uiso 0.599(10) 1 calc PR A 2
H4B2 H 0.1971 -0.2069 1.1171 0.057 Uiso 0.599(10) 1 calc PR A 2
H4B3 H 0.2493 -0.2130 1.0274 0.057 Uiso 0.599(10) 1 calc PR A 2
C5B C 0.1180(8) -0.0170(11) 1.0965(9) 0.0378(17) Uani 0.599(10) 1 d PD A 2
H5B1 H 0.0663 -0.0418 1.0737 0.057 Uiso 0.599(10) 1 calc PR A 2
H5B2 H 0.1206 0.0681 1.0972 0.057 Uiso 0.599(10) 1 calc PR A 2
H5B3 H 0.1254 -0.0468 1.1578 0.057 Uiso 0.599(10) 1 calc PR A 2
C6B C 0.2476(8) 0.0195(11) 1.0708(9) 0.0378(17) Uani 0.599(10) 1 d PD A 2
H6B1 H 0.2547 0.0081 1.1358 0.057 Uiso 0.599(10) 1 calc PR A 2
H6B2 H 0.2316 0.1000 1.0592 0.057 Uiso 0.599(10) 1 calc PR A 2
H6B3 H 0.2975 0.0034 1.0397 0.057 Uiso 0.599(10) 1 calc PR A 2
C7B C 0.1875(8) -0.2386(11) 0.7329(8) 0.0360(16) Uani 0.599(10) 1 d PD A 2
H7B1 H 0.2283 -0.2619 0.7762 0.054 Uiso 0.599(10) 1 calc PR A 2
H7B2 H 0.2026 -0.2648 0.6725 0.054 Uiso 0.599(10) 1 calc PR A 2
H7B3 H 0.1370 -0.2740 0.7498 0.054 Uiso 0.599(10) 1 calc PR A 2
C8B C 0.2674(6) -0.0004(10) 0.7100(8) 0.0360(16) Uani 0.599(10) 1 d PD A 2
H8B1 H 0.3121 -0.0400 0.7385 0.054 Uiso 0.599(10) 1 calc PR A 2
H8B2 H 0.2630 0.0788 0.7339 0.054 Uiso 0.599(10) 1 calc PR A 2
H8B3 H 0.2758 0.0029 0.6447 0.054 Uiso 0.599(10) 1 calc PR A 2
C9B C 0.0865(10) -0.035(2) 0.6745(16) 0.0360(16) Uani 0.599(10) 1 d PD A 2
H9B1 H 0.0694 0.0412 0.6965 0.054 Uiso 0.599(10) 1 calc PR A 2
H9B2 H 0.0449 -0.0926 0.6861 0.054 Uiso 0.599(10) 1 calc PR A 2
H9B3 H 0.0967 -0.0308 0.6096 0.054 Uiso 0.599(10) 1 calc PR A 2
P1 P 0.07922(5) 0.31589(6) 0.8842(3) 0.01612(15) Uani 1 1 d . A .
C10 C 0.1698(2) 0.4123(3) 0.8925(12) 0.030(2) Uani 1 1 d . . .
C11 C 0.2086(4) 0.4210(6) 0.8013(5) 0.0487(16) Uani 1 1 d . A .
H11A H 0.2587 0.4633 0.8070 0.073 Uiso 1 1 calc R . .
H11B H 0.1736 0.4626 0.7598 0.073 Uiso 1 1 calc R . .
H11C H 0.2189 0.3427 0.7780 0.073 Uiso 1 1 calc R . .
C12 C 0.1524(3) 0.5365(4) 0.9275(4) 0.0347(11) Uani 1 1 d . A .
H12A H 0.1126 0.5733 0.8890 0.052 Uiso 1 1 calc R . .
H12B H 0.2011 0.5826 0.9262 0.052 Uiso 1 1 calc R . .
H12C H 0.1326 0.5321 0.9894 0.052 Uiso 1 1 calc R . .
C13 C 0.2316(3) 0.3555(5) 0.9558(5) 0.0462(16) Uani 1 1 d . A .
H13A H 0.2772 0.4075 0.9623 0.069 Uiso 1 1 calc R . .
H13B H 0.2490 0.2812 0.9302 0.069 Uiso 1 1 calc R . .
H13C H 0.2077 0.3419 1.0150 0.069 Uiso 1 1 calc R . .
C14 C 0.0166(9) 0.3438(11) 0.9851(9) 0.049(2) Uani 1 1 d D . .
C15B C -0.0287(11) 0.4503(17) 0.9971(19) 0.0438(14) Uani 0.50 1 d P A .
H15A H 0.0050 0.5175 0.9840 0.066 Uiso 0.50 1 calc PR . .
H15B H -0.0476 0.4550 1.0594 0.066 Uiso 0.50 1 calc PR . .
H15C H -0.0741 0.4500 0.9560 0.066 Uiso 0.50 1 calc PR . .
C15A C 0.0072(17) 0.4847(14) 0.9987(18) 0.043(2) Uani 0.50 1 d PD A 2
H15D H -0.0161 0.5005 1.0579 0.065 Uiso 0.50 1 calc PR A 2
H15E H -0.0273 0.5161 0.9515 0.065 Uiso 0.50 1 calc PR A 2
H15F H 0.0593 0.5216 0.9948 0.065 Uiso 0.50 1 calc PR A 2
C16 C 0.0552(6) 0.3106(9) 1.0718(7) 0.043(2) Uani 1 1 d . A .
H16A H 0.0164 0.3142 1.1206 0.065 Uiso 1 1 calc R . .
H16B H 0.0987 0.3646 1.0845 0.065 Uiso 1 1 calc R . .
H16C H 0.0761 0.2313 1.0671 0.065 Uiso 1 1 calc R . .
C17 C -0.0408(3) 0.2263(5) 0.9964(5) 0.0438(14) Uani 1 1 d . A .
H17A H -0.0799 0.2248 0.9477 0.066 Uiso 1 1 calc R . .
H17B H -0.0681 0.2294 1.0545 0.066 Uiso 1 1 calc R . .
H17C H -0.0081 0.1561 0.9935 0.066 Uiso 1 1 calc R . .
C18 C 0.0194(5) 0.3392(8) 0.7763(8) 0.0236(14) Uani 1 1 d D . .
C19A C -0.0378(13) 0.4414(18) 0.7763(19) 0.0538(17) Uani 0.50 1 d P A 1
H19A H -0.0755 0.4324 0.8258 0.081 Uiso 0.50 1 calc PR A 1
H19B H -0.0664 0.4436 0.7189 0.081 Uiso 0.50 1 calc PR A 1
H19C H -0.0082 0.5140 0.7841 0.081 Uiso 0.50 1 calc PR A 1
C19B C 0.0039(17) 0.4771(14) 0.7668(16) 0.043(2) Uani 0.50 1 d PD A 2
H19D H -0.0166 0.5075 0.8239 0.064 Uiso 0.50 1 calc PR A 2
H19E H -0.0347 0.4911 0.7188 0.064 Uiso 0.50 1 calc PR A 2
H19F H 0.0537 0.5164 0.7520 0.064 Uiso 0.50 1 calc PR A 2
C20 C 0.0773(6) 0.3155(10) 0.6958(6) 0.043(2) Uani 1 1 d . A .
H20A H 0.0469 0.3048 0.6403 0.064 Uiso 1 1 calc R . .
H20B H 0.1081 0.2451 0.7082 0.064 Uiso 1 1 calc R . .
H20C H 0.1132 0.3818 0.6888 0.064 Uiso 1 1 calc R . .
C21 C -0.0605(4) 0.2876(6) 0.7872(5) 0.0538(17) Uani 1 1 d . A .
H21A H -0.0911 0.2994 0.7318 0.081 Uiso 1 1 calc R . .
H21B H -0.0877 0.3253 0.8376 0.081 Uiso 1 1 calc R . .
H21C H -0.0556 0.2041 0.7992 0.081 Uiso 1 1 calc R . .
Sb1 Sb 0.423859(13) 0.68131(2) 0.88376(12) 0.03250(6) Uani 1 1 d . . .
F1 F 0.4945(5) 0.7380(6) 0.9653(6) 0.079(3) Uani 1 1 d . . .
F2 F 0.3473(6) 0.6250(6) 0.9615(9) 0.087(3) Uani 1 1 d . . .
F3 F 0.47256(15) 0.5368(2) 0.8836(11) 0.0660(10) Uani 1 1 d . . .
F4 F 0.3637(7) 0.6344(8) 0.7851(9) 0.105(4) Uani 1 1 d . . .
F5 F 0.4918(6) 0.7322(10) 0.7916(7) 0.110(4) Uani 1 1 d . . .
F6 F 0.37296(18) 0.8253(2) 0.8893(10) 0.0664(15) 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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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'
P P 0.1023 0.0942 '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
C1B Au1 C1A 20.5(4) . . ?
C1B Au1 P1 169.9(4) . . ?
C1A Au1 P1 169.4(5) . . ?
C1B Au1 C2A 11.9(6) . . ?
C1A Au1 C2A 32.3(7) . . ?
P1 Au1 C2A 158.1(6) . . ?
C1B Au1 C2B 30.5(4) . . ?
C1A Au1 C2B 10.3(6) . . ?
P1 Au1 C2B 159.2(4) . . ?
C2A Au1 C2B 42.2(4) . . ?
C8A Si1A C1A 98.2(11) . . ?
C8A Si1A C7A 100.0(12) . . ?
C1A Si1A C7A 108.8(11) . . ?
C8A Si1A C9A 134.9(12) . . ?
C1A Si1A C9A 108.6(14) . . ?
C7A Si1A C9A 104.6(13) . . ?
C2A C1A Si1A 168.9(19) . . ?
C2A C1A Au1 77.6(13) . . ?
Si1A C1A Au1 110.2(11) . . ?
C1A C2A C3A 164(2) . . ?
C1A C2A Au1 70.1(14) . . ?
C3A C2A Au1 125.2(15) . . ?
C5A C3A C2A 102(2) . . ?
C5A C3A C4A 107(2) . . ?
C2A C3A C4A 111.0(19) . . ?
C5A C3A C6A 99.3(19) . . ?
C2A C3A C6A 111.9(19) . . ?
C4A C3A C6A 122(2) . . ?
C8B Si1B C7B 115.0(7) . . ?
C8B Si1B C9B 118.4(10) . . ?
C7B Si1B C9B 110.3(10) . . ?
C8B Si1B C1B 101.2(8) . . ?
C7B Si1B C1B 101.4(8) . . ?
C9B Si1B C1B 108.4(10) . . ?
C2B C1B Si1B 165.4(16) . . ?
C2B C1B Au1 80.9(12) . . ?
Si1B C1B Au1 112.7(8) . . ?
C1B C2B C3B 171.1(19) . . ?
C1B C2B Au1 68.6(11) . . ?
C3B C2B Au1 119.3(12) . . ?
C4B C3B C2B 107.2(14) . . ?
C4B C3B C5B 112.0(15) . . ?
C2B C3B C5B 115.1(16) . . ?
C4B C3B C6B 115.6(17) . . ?
C2B C3B C6B 112.0(14) . . ?
C5B C3B C6B 95.0(12) . . ?
C3B C4B H4B1 109.5 . . ?
C3B C4B H4B2 109.5 . . ?
H4B1 C4B H4B2 109.5 . . ?
C3B C4B H4B3 109.5 . . ?
H4B1 C4B H4B3 109.5 . . ?
H4B2 C4B H4B3 109.5 . . ?
C3B C5B H5B1 109.5 . . ?
C3B C5B H5B2 109.5 . . ?
H5B1 C5B H5B2 109.5 . . ?
C3B C5B H5B3 109.5 . . ?
H5B1 C5B H5B3 109.5 . . ?
H5B2 C5B H5B3 109.5 . . ?
C3B C6B H6B1 109.5 . . ?
C3B C6B H6B2 109.5 . . ?
H6B1 C6B H6B2 109.5 . . ?
C3B C6B H6B3 109.5 . . ?
H6B1 C6B H6B3 109.5 . . ?
H6B2 C6B H6B3 109.5 . . ?
Si1B C7B H7B1 109.5 . . ?
Si1B C7B H7B2 109.5 . . ?
H7B1 C7B H7B2 109.5 . . ?
Si1B C7B H7B3 109.5 . . ?
H7B1 C7B H7B3 109.5 . . ?
H7B2 C7B H7B3 109.5 . . ?
Si1B C8B H8B1 109.5 . . ?
Si1B C8B H8B2 109.5 . . ?
H8B1 C8B H8B2 109.5 . . ?
Si1B C8B H8B3 109.5 . . ?
H8B1 C8B H8B3 109.5 . . ?
H8B2 C8B H8B3 109.5 . . ?
Si1B C9B H9B1 109.5 . . ?
Si1B C9B H9B2 109.5 . . ?
H9B1 C9B H9B2 109.5 . . ?
Si1B C9B H9B3 109.5 . . ?
H9B1 C9B H9B3 109.5 . . ?
H9B2 C9B H9B3 109.5 . . ?
C14 P1 C10 107.9(7) . . ?
C14 P1 C18 110.4(3) . . ?
C10 P1 C18 113.6(6) . . ?
C14 P1 Au1 110.3(4) . . ?
C10 P1 Au1 107.76(13) . . ?
C18 P1 Au1 106.9(3) . . ?
C11 C10 C12 108.8(6) . . ?
C11 C10 C13 106.1(5) . . ?
C12 C10 C13 108.2(9) . . ?
C11 C10 P1 109.5(8) . . ?
C12 C10 P1 114.1(4) . . ?
C13 C10 P1 109.8(5) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15B C14 C16 109.9(15) . . ?
C16 C14 C15A 100.8(13) . . ?
C15B C14 C17 111.2(12) . . ?
C16 C14 C17 87.8(8) . . ?
C15A C14 C17 136.8(13) . . ?
C15B C14 P1 122.9(13) . . ?
C16 C14 P1 113.6(9) . . ?
C15A C14 P1 108.9(11) . . ?
C17 C14 P1 105.8(7) . . ?
C14 C15B H15A 109.5 . . ?
C14 C15B H15B 109.5 . . ?
H15A C15B H15B 109.5 . . ?
C14 C15B H15C 109.5 . . ?
H15A C15B H15C 109.5 . . ?
H15B C15B H15C 109.5 . . ?
C14 C15A H15D 109.5 . . ?
C14 C15A H15E 109.5 . . ?
H15D C15A H15E 109.5 . . ?
C14 C15A H15F 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C21 C18 C19A 74.3(9) . . ?
C21 C18 C20 125.6(9) . . ?
C19A C18 C20 122.1(14) . . ?
C21 C18 C19B 104.7(12) . . ?
C20 C18 C19B 101.9(12) . . ?
C21 C18 P1 109.5(7) . . ?
C19A C18 P1 116.4(12) . . ?
C20 C18 P1 106.4(6) . . ?
C19B C18 P1 107.2(10) . . ?
C18 C19A H19A 109.5 . . ?
C18 C19A H19B 109.5 . . ?
C18 C19A H19C 109.5 . . ?
C18 C19B H19D 109.5 . . ?
C18 C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C18 C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
F1 Sb1 F2 99.8(5) . . ?
F1 Sb1 F3 91.7(4) . . ?
F2 Sb1 F3 89.9(4) . . ?
F1 Sb1 F4 169.8(5) . . ?
F2 Sb1 F4 90.4(3) . . ?
F3 Sb1 F4 89.0(5) . . ?
F1 Sb1 F6 87.5(4) . . ?
F2 Sb1 F6 87.7(4) . . ?
F3 Sb1 F6 177.3(6) . . ?
F4 Sb1 F6 92.3(5) . . ?
F1 Sb1 F5 88.4(3) . . ?
F2 Sb1 F5 171.9(6) . . ?
F3 Sb1 F5 90.3(5) . . ?
F4 Sb1 F5 81.5(5) . . ?
F6 Sb1 F5 92.2(5) . . ?
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 C1B 2.196(17) . ?
Au1 C1A 2.22(2) . ?
Au1 P1 2.2804(7) . ?
Au1 C2A 2.31(3) . ?
Au1 C2B 2.329(17) . ?
Si1A C8A 1.856(15) . ?
Si1A C1A 1.865(17) . ?
Si1A C7A 1.868(15) . ?
Si1A C9A 1.881(16) . ?
C1A C2A 1.26(3) . ?
C2A C3A 1.544(18) . ?
C3A C5A 1.524(19) . ?
C3A C4A 1.548(18) . ?
C3A C6A 1.567(18) . ?
C4A H4A1 0.9800 . ?
C4A H4A2 0.9800 . ?
C4A H4A3 0.9800 . ?
C5A H5A1 0.9800 . ?
C5A H5A2 0.9800 . ?
C5A H5A3 0.9800 . ?
C6A H6A1 0.9800 . ?
C6A H6A2 0.9800 . ?
C6A H6A3 0.9800 . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
C9A H9A1 0.9800 . ?
C9A H9A2 0.9800 . ?
C9A H9A3 0.9800 . ?
Si1B C8B 1.801(11) . ?
Si1B C7B 1.842(11) . ?
Si1B C9B 1.843(12) . ?
Si1B C1B 1.864(13) . ?
C1B C2B 1.197(17) . ?
C2B C3B 1.505(17) . ?
C3B C4B 1.502(16) . ?
C3B C5B 1.520(17) . ?
C3B C6B 1.551(17) . ?
C4B H4B1 0.9800 . ?
C4B H4B2 0.9800 . ?
C4B H4B3 0.9800 . ?
C5B H5B1 0.9800 . ?
C5B H5B2 0.9800 . ?
C5B H5B3 0.9800 . ?
C6B H6B1 0.9800 . ?
C6B H6B2 0.9800 . ?
C6B H6B3 0.9800 . ?
C7B H7B1 0.9800 . ?
C7B H7B2 0.9800 . ?
C7B H7B3 0.9800 . ?
C8B H8B1 0.9800 . ?
C8B H8B2 0.9800 . ?
C8B H8B3 0.9800 . ?
C9B H9B1 0.9800 . ?
C9B H9B2 0.9800 . ?
C9B H9B3 0.9800 . ?
P1 C14 1.863(13) . ?
P1 C10 1.894(4) . ?
P1 C18 1.914(11) . ?
C10 C11 1.508(17) . ?
C10 C12 1.547(8) . ?
C10 C13 1.552(13) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
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 C15B 1.46(2) . ?
C14 C16 1.493(17) . ?
C14 C15A 1.640(14) . ?
C14 C17 1.671(15) . ?
C15B H15A 0.9800 . ?
C15B H15B 0.9800 . ?
C15B H15C 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 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 C21 1.486(11) . ?
C18 C19A 1.52(2) . ?
C18 C20 1.569(15) . ?
C18 C19B 1.612(14) . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
Sb1 F1 1.821(7) . ?
Sb1 F2 1.852(10) . ?
Sb1 F3 1.854(2) . ?
Sb1 F4 1.863(11) . ?
Sb1 F6 1.868(3) . ?
Sb1 F5 1.881(9) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8A Si1A C1A C2A 46(11) . . . . ?
C7A Si1A C1A C2A -57(11) . . . . ?
C9A Si1A C1A C2A -170(11) . . . . ?
C8A Si1A C1A Au1 -87.4(13) . . . . ?
C7A Si1A C1A Au1 169.1(12) . . . . ?
C9A Si1A C1A Au1 55.8(17) . . . . ?
C1B Au1 C1A C2A 2(3) . . . . ?
P1 Au1 C1A C2A -171(3) . . . . ?
C2B Au1 C1A C2A -164(6) . . . . ?
C1B Au1 C1A Si1A 174(4) . . . . ?
P1 Au1 C1A Si1A 1(5) . . . . ?
C2A Au1 C1A Si1A 172(2) . . . . ?
C2B Au1 C1A Si1A 8(4) . . . . ?
Si1A C1A C2A C3A 28(17) . . . . ?
Au1 C1A C2A C3A 164(8) . . . . ?
Si1A C1A C2A Au1 -136(11) . . . . ?
C1B Au1 C2A C1A -3(5) . . . . ?
P1 Au1 C2A C1A 175.4(16) . . . . ?
C2B Au1 C2A C1A 4.2(15) . . . . ?
C1B Au1 C2A C3A -177(6) . . . . ?
C1A Au1 C2A C3A -175(3) . . . . ?
P1 Au1 C2A C3A 1(3) . . . . ?
C2B Au1 C2A C3A -171(3) . . . . ?
C1A C2A C3A C5A 139(8) . . . . ?
Au1 C2A C3A C5A -59(2) . . . . ?
C1A C2A C3A C4A 25(9) . . . . ?
Au1 C2A C3A C4A -173.5(17) . . . . ?
C1A C2A C3A C6A -115(8) . . . . ?
Au1 C2A C3A C6A 46(3) . . . . ?
C8B Si1B C1B C2B -82(7) . . . . ?
C7B Si1B C1B C2B 37(7) . . . . ?
C9B Si1B C1B C2B 153(7) . . . . ?
C8B Si1B C1B Au1 75.8(9) . . . . ?
C7B Si1B C1B Au1 -165.5(8) . . . . ?
C9B Si1B C1B Au1 -49.4(13) . . . . ?
C1A Au1 C1B C2B -5(3) . . . . ?
P1 Au1 C1B C2B 167(2) . . . . ?
C2A Au1 C1B C2B 171(4) . . . . ?
C1A Au1 C1B Si1B -179(4) . . . . ?
P1 Au1 C1B Si1B -8(4) . . . . ?
C2A Au1 C1B Si1B -4(4) . . . . ?
C2B Au1 C1B Si1B -174.5(19) . . . . ?
Si1B C1B C2B Au1 159(7) . . . . ?
C1A Au1 C2B C1B 10(6) . . . . ?
P1 Au1 C2B C1B -173.6(11) . . . . ?
C2A Au1 C2B C1B -2.8(14) . . . . ?
C1B Au1 C2B C3B 175(2) . . . . ?
C1A Au1 C2B C3B -175(6) . . . . ?
P1 Au1 C2B C3B 2(2) . . . . ?
C2A Au1 C2B C3B 173(3) . . . . ?
Au1 C2B C3B C4B 169.5(13) . . . . ?
Au1 C2B C3B C5B 44.3(19) . . . . ?
Au1 C2B C3B C6B -62.7(19) . . . . ?
C1B Au1 P1 C14 159(3) . . . . ?
C1A Au1 P1 C14 -37(4) . . . . ?
C2A Au1 P1 C14 156.9(17) . . . . ?
C2B Au1 P1 C14 -39.9(14) . . . . ?
C1B Au1 P1 C10 -83(3) . . . . ?
C1A Au1 P1 C10 81(4) . . . . ?
C2A Au1 P1 C10 -85.5(17) . . . . ?
C2B Au1 P1 C10 77.7(14) . . . . ?
C1B Au1 P1 C18 39(3) . . . . ?
C1A Au1 P1 C18 -157(4) . . . . ?
C2A Au1 P1 C18 36.9(16) . . . . ?
C2B Au1 P1 C18 -160.0(13) . . . . ?
C14 P1 C10 C11 -162.6(6) . . . . ?
C18 P1 C10 C11 -39.9(5) . . . . ?
Au1 P1 C10 C11 78.3(6) . . . . ?
C14 P1 C10 C12 -40.4(11) . . . . ?
C18 P1 C10 C12 82.4(11) . . . . ?
Au1 P1 C10 C12 -159.5(8) . . . . ?
C14 P1 C10 C13 81.3(8) . . . . ?
C18 P1 C10 C13 -156.0(7) . . . . ?
Au1 P1 C10 C13 -37.9(9) . . . . ?
C10 P1 C14 C15B 72.5(16) . . . . ?
C18 P1 C14 C15B -52.2(15) . . . . ?
Au1 P1 C14 C15B -170.1(14) . . . . ?
C10 P1 C14 C16 -63.9(10) . . . . ?
C18 P1 C14 C16 171.5(10) . . . . ?
Au1 P1 C14 C16 53.6(11) . . . . ?
C10 P1 C14 C15A 47.6(14) . . . . ?
C18 P1 C14 C15A -77.0(13) . . . . ?
Au1 P1 C14 C15A 165.1(13) . . . . ?
C10 P1 C14 C17 -158.5(6) . . . . ?
C18 P1 C14 C17 76.9(7) . . . . ?
Au1 P1 C14 C17 -41.1(8) . . . . ?
C14 P1 C18 C21 -42.3(6) . . . . ?
C10 P1 C18 C21 -163.6(6) . . . . ?
Au1 P1 C18 C21 77.7(6) . . . . ?
C14 P1 C18 C19A 39.4(10) . . . . ?
C10 P1 C18 C19A -81.9(12) . . . . ?
Au1 P1 C18 C19A 159.4(10) . . . . ?
C14 P1 C18 C20 179.2(9) . . . . ?
C10 P1 C18 C20 57.9(8) . . . . ?
Au1 P1 C18 C20 -60.8(7) . . . . ?
C14 P1 C18 C19B 70.8(12) . . . . ?
C10 P1 C18 C19B -50.5(13) . . . . ?
Au1 P1 C18 C19B -169.2(11) . . . . ?
