# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2011


data_publication_text
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
#TrackingRef '- combined.cif'

_publ_contact_author_name        'Dr Christopher Russell'
_publ_contact_author_address     
;School of Chemistry
University of Bristol
Cantock's Close
Bristo
BS8 1TSl
;
_publ_contact_author_email       Chris.Russell@bris.ac.uk
_publ_contact_author_phone       01179287599
_publ_contact_author_fax         01170251295
loop_
_publ_author_name
_publ_author_address
'Dr Christopher Russell'
;School of Chemistry
University of Bristol
Cantock's Close
Bristol
BS8 1TS
;
R.A.Sanguramath
;School of Chemistry
University of Bristol
Cantock's Close
Bristol
BS8 1TS
;
S.K.Patra
;School of Chemistry
University of Bristol
Cantock's Close
Bristol
BS8 1TS
;
M.Green
;School of Chemistry
University of Bristol
Cantock's Close
Bristol
BS8 1TS
;

data_1
_database_code_depnum_ccdc_archive 'CCDC 847613'
#TrackingRef '- combined.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H33 Au P, F6 Sb'
_chemical_formula_sum            'C25 H33 Au F6 P Sb'
_chemical_formula_weight         797.21

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'
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.6951(2)
_cell_length_b                   20.5032(4)
_cell_length_c                   13.9332(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.6250(10)
_cell_angle_gamma                90.00
_cell_volume                     2679.91(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9950
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      27.60

_exptl_crystal_description       Block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1528
_exptl_absorpt_coefficient_mu    6.589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3150
_exptl_absorpt_correction_T_max  0.5052
_exptl_absorpt_process_details   'sadabs - bruker 2008'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            46190
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0116
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.81
_diffrn_reflns_theta_max         27.61
_reflns_number_total             6219
_reflns_number_gt                5787
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX II'
_computing_cell_refinement       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0270P)^2^+3.7069P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6219
_refine_ls_number_parameters     313
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0188
_refine_ls_wR_factor_ref         0.0491
_refine_ls_wR_factor_gt          0.0476
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.255971(10) 0.365010(5) 0.702984(7) 0.02392(4) Uani 1 1 d . . .
P1 P 0.43935(7) 0.34673(3) 0.84039(4) 0.01922(11) Uani 1 1 d . . .
Sb1 Sb 0.957366(18) 0.361967(8) 0.242539(12) 0.02345(5) Uani 1 1 d . . .
F1 F 0.8452(2) 0.36207(9) 0.33384(15) 0.0462(5) Uani 1 1 d . . .
F2 F 0.80964(18) 0.32121(11) 0.14845(13) 0.0465(5) Uani 1 1 d . . .
F3 F 1.02611(18) 0.27989(9) 0.29042(13) 0.0397(4) Uani 1 1 d . . .
F4 F 1.06958(19) 0.36039(9) 0.15081(13) 0.0371(4) Uani 1 1 d . . .
F5 F 1.1095(2) 0.40054(11) 0.33425(13) 0.0521(5) Uani 1 1 d . . .
F6 F 0.8867(3) 0.44322(10) 0.19489(18) 0.0606(6) Uani 1 1 d . . .
C1 C 0.0806(3) 0.35918(16) 0.5593(2) 0.0357(7) Uani 1 1 d . . .
H1 H 0.1547 0.3591 0.5258 0.043 Uiso 1 1 calc R . .
C2 C 0.0458(3) 0.41025(17) 0.6106(2) 0.0439(8) Uani 1 1 d . . .
H2 H 0.0881 0.4523 0.6161 0.053 Uiso 1 1 calc R . .
C3 C -0.0679(4) 0.3896(2) 0.6565(3) 0.0510(9) Uani 1 1 d . . .
H3 H -0.1088 0.4156 0.6985 0.061 Uiso 1 1 calc R . .
C4 C -0.1042(3) 0.32843(19) 0.6293(3) 0.0462(8) Uani 1 1 d . . .
H4 H -0.1761 0.3043 0.6489 0.055 Uiso 1 1 calc R . .
C5 C -0.0159(3) 0.30305(17) 0.5637(2) 0.0393(7) Uani 1 1 d . . .
H5A H -0.0759 0.2920 0.4970 0.047 Uiso 1 1 calc R . .
H5B H 0.0389 0.2640 0.5929 0.047 Uiso 1 1 calc R . .
C6 C 0.5960(3) 0.39841(12) 0.84726(17) 0.0217(5) Uani 1 1 d . . .
C7 C 0.7164(3) 0.38823(13) 0.92677(18) 0.0267(5) Uani 1 1 d . . .
H7 H 0.7144 0.3545 0.9731 0.032 Uiso 1 1 calc R . .
C8 C 0.8377(3) 0.42626(14) 0.93906(19) 0.0300(6) Uani 1 1 d . . .
H8 H 0.9189 0.4177 0.9921 0.036 Uiso 1 1 calc R . .
C9 C 0.8400(3) 0.47703(14) 0.87341(19) 0.0315(6) Uani 1 1 d . . .
H9 H 0.9216 0.5042 0.8823 0.038 Uiso 1 1 calc R . .
C10 C 0.7222(3) 0.48761(13) 0.79479(18) 0.0281(5) Uani 1 1 d . . .
H10 H 0.7239 0.5227 0.7506 0.034 Uiso 1 1 calc R . .
C11 C 0.6007(3) 0.44815(12) 0.77845(17) 0.0224(5) Uani 1 1 d . . .
C12 C 0.4896(3) 0.46001(12) 0.68376(17) 0.0229(5) Uani 1 1 d . . .
C13 C 0.4012(3) 0.51422(13) 0.67143(19) 0.0286(5) Uani 1 1 d . . .
H13 H 0.4042 0.5425 0.7259 0.034 Uiso 1 1 calc R . .
C14 C 0.3076(3) 0.52742(13) 0.5794(2) 0.0318(6) Uani 1 1 d . . .
H14 H 0.2477 0.5647 0.5714 0.038 Uiso 1 1 calc R . .
C15 C 0.3023(3) 0.48616(13) 0.49987(19) 0.0289(5) Uani 1 1 d . . .
H15 H 0.2379 0.4950 0.4376 0.035 Uiso 1 1 calc R . .
C16 C 0.3904(3) 0.43224(13) 0.51082(18) 0.0255(5) Uani 1 1 d . . .
H16 H 0.3867 0.4041 0.4560 0.031 Uiso 1 1 calc R . .
C17 C 0.4846(3) 0.41907(12) 0.60209(17) 0.0233(5) Uani 1 1 d . . .
H17 H 0.5457 0.3822 0.6092 0.028 Uiso 1 1 calc R . .
C18 C 0.3692(3) 0.37009(12) 0.94945(19) 0.0260(5) Uani 1 1 d . . .
C19 C 0.4793(3) 0.37116(14) 1.05005(19) 0.0310(6) Uani 1 1 d . . .
H19A H 0.4321 0.3826 1.1022 0.046 Uiso 1 1 calc R . .
H19B H 0.5530 0.4036 1.0486 0.046 Uiso 1 1 calc R . .
H19C H 0.5233 0.3280 1.0637 0.046 Uiso 1 1 calc R . .
C20 C 0.3106(4) 0.43990(15) 0.9269(2) 0.0413(7) Uani 1 1 d . . .
H20A H 0.2778 0.4564 0.9834 0.062 Uiso 1 1 calc R . .
H20B H 0.2307 0.4394 0.8676 0.062 Uiso 1 1 calc R . .
H20C H 0.3861 0.4683 0.9155 0.062 Uiso 1 1 calc R . .
C21 C 0.2460(3) 0.32422(16) 0.9543(2) 0.0350(6) Uani 1 1 d . . .
H21A H 0.2837 0.2806 0.9745 0.053 Uiso 1 1 calc R . .
H21B H 0.1786 0.3218 0.8888 0.053 Uiso 1 1 calc R . .
H21C H 0.1969 0.3410 1.0027 0.053 Uiso 1 1 calc R . .
C22 C 0.4991(3) 0.25919(11) 0.83957(17) 0.0209(5) Uani 1 1 d . . .
C23 C 0.5988(3) 0.25633(14) 0.7698(2) 0.0319(6) Uani 1 1 d . . .
H23A H 0.6868 0.2802 0.7995 0.048 Uiso 1 1 calc R . .
H23B H 0.5515 0.2762 0.7060 0.048 Uiso 1 1 calc R . .
H23C H 0.6218 0.2108 0.7594 0.048 Uiso 1 1 calc R . .
C24 C 0.3681(3) 0.21660(12) 0.7956(2) 0.0277(5) Uani 1 1 d . . .
H24A H 0.3979 0.1710 0.7937 0.042 Uiso 1 1 calc R . .
H24B H 0.3227 0.2314 0.7281 0.042 Uiso 1 1 calc R . .
H24C H 0.3002 0.2202 0.8368 0.042 Uiso 1 1 calc R . .
C25 C 0.5755(3) 0.23123(13) 0.9413(2) 0.0281(5) Uani 1 1 d . . .
H25A H 0.6062 0.1865 0.9332 0.042 Uiso 1 1 calc R . .
H25B H 0.5101 0.2312 0.9847 0.042 Uiso 1 1 calc R . .
H25C H 0.6589 0.2582 0.9710 0.042 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.02216(6) 0.02991(6) 0.01768(5) 0.00452(3) 0.00132(4) 0.00147(3)
P1 0.0220(3) 0.0203(3) 0.0144(3) 0.0009(2) 0.0029(2) 0.0011(2)
Sb1 0.02041(8) 0.03180(9) 0.01797(8) 0.00459(6) 0.00453(6) 0.00153(6)
F1 0.0545(12) 0.0524(12) 0.0427(11) 0.0037(8) 0.0330(10) 0.0039(9)
F2 0.0276(9) 0.0786(14) 0.0271(8) 0.0077(9) -0.0045(7) -0.0127(9)
F3 0.0308(9) 0.0389(9) 0.0464(10) 0.0151(8) 0.0043(7) 0.0046(7)
F4 0.0307(9) 0.0538(11) 0.0306(9) 0.0059(7) 0.0150(7) 0.0024(7)
F5 0.0599(13) 0.0617(13) 0.0310(9) -0.0063(9) 0.0048(9) -0.0317(10)
F6 0.0701(14) 0.0456(11) 0.0783(15) 0.0320(11) 0.0412(12) 0.0288(10)
C1 0.0214(13) 0.061(2) 0.0221(13) 0.0140(12) 0.0001(10) -0.0015(12)
C2 0.0353(16) 0.0471(18) 0.0412(17) 0.0172(14) -0.0057(13) 0.0082(14)
C3 0.0414(18) 0.072(3) 0.0399(17) 0.0197(17) 0.0117(14) 0.0299(18)
C4 0.0237(14) 0.070(2) 0.0464(18) 0.0273(17) 0.0110(13) 0.0095(14)
C5 0.0269(14) 0.0561(19) 0.0316(14) 0.0122(13) 0.0013(11) -0.0046(13)
C6 0.0257(12) 0.0228(11) 0.0157(10) -0.0021(8) 0.0039(9) -0.0036(9)
C7 0.0330(14) 0.0265(12) 0.0171(11) 0.0014(9) -0.0003(10) -0.0051(10)
C8 0.0311(14) 0.0358(14) 0.0190(11) -0.0032(10) -0.0010(10) -0.0063(11)
C9 0.0354(14) 0.0347(14) 0.0230(12) -0.0046(10) 0.0048(11) -0.0130(11)
C10 0.0381(15) 0.0270(13) 0.0195(12) -0.0010(9) 0.0081(11) -0.0084(11)
C11 0.0296(12) 0.0225(11) 0.0150(10) -0.0017(8) 0.0055(9) -0.0002(9)
C12 0.0312(13) 0.0223(11) 0.0151(10) 0.0006(9) 0.0055(9) -0.0038(9)
C13 0.0415(15) 0.0244(12) 0.0193(12) -0.0012(9) 0.0064(11) 0.0007(11)
C14 0.0431(16) 0.0261(13) 0.0242(13) 0.0035(10) 0.0050(11) 0.0046(11)
C15 0.0380(14) 0.0287(13) 0.0181(11) 0.0043(9) 0.0034(10) -0.0033(11)
C16 0.0341(14) 0.0271(12) 0.0158(10) -0.0024(9) 0.0071(10) -0.0062(10)
C17 0.0282(12) 0.0232(11) 0.0184(11) 0.0007(9) 0.0059(9) -0.0018(9)
C18 0.0315(13) 0.0287(13) 0.0180(11) -0.0020(9) 0.0068(10) 0.0078(10)
C19 0.0412(16) 0.0345(14) 0.0169(12) -0.0010(10) 0.0066(11) 0.0052(11)
C20 0.060(2) 0.0343(15) 0.0291(14) -0.0016(12) 0.0099(14) 0.0231(14)
C21 0.0301(14) 0.0495(17) 0.0285(14) -0.0006(12) 0.0127(11) 0.0047(12)
C22 0.0212(11) 0.0198(11) 0.0212(11) -0.0014(9) 0.0046(9) 0.0005(9)
C23 0.0324(14) 0.0307(13) 0.0369(15) -0.0071(11) 0.0168(12) -0.0015(11)
C24 0.0239(12) 0.0231(12) 0.0338(14) -0.0019(10) 0.0031(10) -0.0022(10)
C25 0.0283(13) 0.0245(12) 0.0287(13) 0.0018(10) 0.0019(10) 0.0032(10)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C1 2.279(3) . ?
Au1 P1 2.2908(6) . ?
Au1 C2 2.311(3) . ?
P1 C6 1.834(2) . ?
P1 C18 1.877(3) . ?
P1 C22 1.887(2) . ?
Sb1 F6 1.8590(18) . ?
Sb1 F5 1.8661(18) . ?
Sb1 F3 1.8700(17) . ?
Sb1 F1 1.8709(18) . ?
Sb1 F2 1.8762(17) . ?
Sb1 F4 1.8762(16) . ?
C1 C2 1.358(5) . ?
C1 C5 1.495(4) . ?
C2 C3 1.469(5) . ?
C3 C4 1.332(6) . ?
C4 C5 1.494(5) . ?
C6 C7 1.407(3) . ?
C6 C11 1.408(3) . ?
C7 C8 1.385(4) . ?
C8 C9 1.390(4) . ?
C9 C10 1.386(4) . ?
C10 C11 1.399(4) . ?
C11 C12 1.498(3) . ?
C12 C13 1.388(4) . ?
C12 C17 1.405(3) . ?
C13 C14 1.397(4) . ?
C14 C15 1.385(4) . ?
C15 C16 1.382(4) . ?
C16 C17 1.392(3) . ?
C18 C19 1.533(4) . ?
C18 C21 1.536(4) . ?
C18 C20 1.543(4) . ?
C22 C25 1.535(3) . ?
C22 C24 1.536(3) . ?
C22 C23 1.536(3) . ?

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 Au1 P1 167.15(9) . . ?
C1 Au1 C2 34.40(12) . . ?
P1 Au1 C2 156.90(9) . . ?
C6 P1 C18 105.95(12) . . ?
C6 P1 C22 107.36(11) . . ?
C18 P1 C22 114.97(11) . . ?
C6 P1 Au1 114.00(8) . . ?
C18 P1 Au1 105.75(9) . . ?
C22 P1 Au1 108.98(8) . . ?
F6 Sb1 F5 91.21(11) . . ?
F6 Sb1 F3 179.28(9) . . ?
F5 Sb1 F3 89.32(9) . . ?
F6 Sb1 F1 90.96(9) . . ?
F5 Sb1 F1 91.64(9) . . ?
F3 Sb1 F1 88.54(8) . . ?
F6 Sb1 F2 90.12(10) . . ?
F5 Sb1 F2 177.72(10) . . ?
F3 Sb1 F2 89.36(9) . . ?
F1 Sb1 F2 90.19(9) . . ?
F6 Sb1 F4 89.83(8) . . ?
F5 Sb1 F4 88.83(9) . . ?
F3 Sb1 F4 90.67(8) . . ?
F1 Sb1 F4 179.07(8) . . ?
F2 Sb1 F4 89.31(8) . . ?
C2 C1 C5 109.3(3) . . ?
C2 C1 Au1 74.10(18) . . ?
C5 C1 Au1 109.87(18) . . ?
C1 C2 C3 108.7(3) . . ?
C1 C2 Au1 71.50(17) . . ?
C3 C2 Au1 107.18(19) . . ?
C4 C3 C2 108.7(3) . . ?
C3 C4 C5 110.5(3) . . ?
C4 C5 C1 102.6(3) . . ?
C7 C6 C11 118.7(2) . . ?
C7 C6 P1 117.81(18) . . ?
C11 C6 P1 123.48(19) . . ?
C8 C7 C6 121.6(2) . . ?
C7 C8 C9 119.7(2) . . ?
C10 C9 C8 119.4(2) . . ?
C9 C10 C11 122.0(2) . . ?
C10 C11 C6 118.6(2) . . ?
C10 C11 C12 116.0(2) . . ?
C6 C11 C12 125.3(2) . . ?
C13 C12 C17 119.0(2) . . ?
C13 C12 C11 121.6(2) . . ?
C17 C12 C11 119.1(2) . . ?
C12 C13 C14 120.4(2) . . ?
C15 C14 C13 120.0(3) . . ?
C16 C15 C14 120.2(2) . . ?
C15 C16 C17 120.0(2) . . ?
C16 C17 C12 120.3(2) . . ?
C19 C18 C21 109.8(2) . . ?
C19 C18 C20 108.0(2) . . ?
C21 C18 C20 109.1(2) . . ?
C19 C18 P1 115.66(19) . . ?
C21 C18 P1 108.93(18) . . ?
C20 C18 P1 105.19(18) . . ?
C25 C22 C24 108.3(2) . . ?
C25 C22 C23 109.6(2) . . ?
C24 C22 C23 108.3(2) . . ?
C25 C22 P1 115.28(17) . . ?
C24 C22 P1 108.62(16) . . ?
C23 C22 P1 106.46(17) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.61
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.338
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.083

data_2
_database_code_depnum_ccdc_archive 'CCDC 847614'
#TrackingRef '- combined.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H39 Au P F6 Sb'
_chemical_formula_sum            'C22 H39 Au F6 P Sb'
_chemical_formula_weight         767.22

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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)
_symmetry_space_group_name_Hall  'P 2yb'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   8.4126(11)
_cell_length_b                   13.2481(19)
_cell_length_c                   12.0197(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.296(8)
_cell_angle_gamma                90.00
_cell_volume                     1303.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5462
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      27.00
_chemical_absolute_configuration ad
_exptl_crystal_description       Rectangular
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             740
_exptl_absorpt_coefficient_mu    6.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.448
_exptl_absorpt_correction_T_max  0.713
_exptl_absorpt_process_details   SADABS-2008/1

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14619
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0722
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.35
_diffrn_reflns_theta_max         27.57
_reflns_number_total             5644
_reflns_number_gt                5020
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.001(5)
_refine_ls_number_reflns         5644
_refine_ls_number_parameters     284
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0321
_refine_ls_wR_factor_ref         0.0666
_refine_ls_wR_factor_gt          0.0635
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_restrained_S_all      0.945
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.34157(3) 0.76636(2) 0.723700(19) 0.02443(7) Uani 1 1 d . . .
C1 C 0.3571(9) 0.8796(6) 0.5840(6) 0.0357(14) Uani 1 1 d . . .
H1 H 0.2476 0.8923 0.5884 0.043 Uiso 1 1 calc R . .
C2 C 0.4143(9) 0.7914(6) 0.5526(6) 0.0357(14) Uani 1 1 d . . .
H2 H 0.3507 0.7334 0.5256 0.043 Uiso 1 1 calc R . .
C3 C 0.5948(9) 0.8008(6) 0.5675(7) 0.0328(19) Uani 1 1 d . . .
H3 H 0.6629 0.7381 0.5783 0.039 Uiso 1 1 calc R . .
C4 C 0.6355(9) 0.8843(6) 0.6567(7) 0.0397(19) Uani 1 1 d . . .
H4A H 0.6364 0.8597 0.7345 0.048 Uiso 1 1 calc R . .
H4B H 0.7409 0.9175 0.6564 0.048 Uiso 1 1 calc R . .
C5 C 0.4915(10) 0.9525(7) 0.6104(7) 0.039(2) Uani 1 1 d . . .
H5 H 0.4767 1.0110 0.6596 0.047 Uiso 1 1 calc R . .
C6 C 0.5345(10) 0.9792(6) 0.4921(6) 0.040(2) Uani 1 1 d . . .
H6 H 0.6209 1.0324 0.5021 0.047 Uiso 1 1 calc R . .
C7 C 0.3896(9) 1.0051(6) 0.3914(7) 0.0358(19) Uani 1 1 d . . .
H7A H 0.2906 1.0198 0.4200 0.043 Uiso 1 1 calc R . .
H7B H 0.4156 1.0651 0.3499 0.043 Uiso 1 1 calc R . .
C8 C 0.3630(9) 0.9196(5) 0.3179(6) 0.0294(17) Uani 1 1 d . . .
H8 H 0.2733 0.9129 0.2539 0.035 Uiso 1 1 calc R . .
C9 C 0.4843(11) 0.8467(7) 0.3509(8) 0.049(2) Uani 1 1 d . . .
H9 H 0.4919 0.7866 0.3094 0.059 Uiso 1 1 calc R . .
C10 C 0.6006(10) 0.8755(7) 0.4597(7) 0.043(2) Uani 1 1 d . . .
H10 H 0.7144 0.8821 0.4487 0.052 Uiso 1 1 calc R . .
P1 P 0.2799(2) 0.68479(13) 0.87703(14) 0.0174(3) Uani 1 1 d . . .
C11 C 0.1707(8) 0.5637(5) 0.8222(6) 0.0232(15) Uani 1 1 d . . .
C12 C 0.2990(13) 0.4861(8) 0.7962(11) 0.075(4) Uani 1 1 d . . .
H12A H 0.2430 0.4239 0.7650 0.113 Uiso 1 1 calc R . .
H12B H 0.3797 0.4707 0.8670 0.113 Uiso 1 1 calc R . .
H12C H 0.3543 0.5154 0.7404 0.113 Uiso 1 1 calc R . .
C13 C 0.0424(14) 0.5805(8) 0.7134(9) 0.088(5) Uani 1 1 d . . .
H13A H 0.0080 0.5153 0.6773 0.132 Uiso 1 1 calc R . .
H13B H 0.0878 0.6224 0.6611 0.132 Uiso 1 1 calc R . .
H13C H -0.0520 0.6147 0.7313 0.132 Uiso 1 1 calc R . .
C14 C 0.0921(14) 0.5082(7) 0.9083(8) 0.060(3) Uani 1 1 d . . .
H14A H 0.0047 0.5500 0.9256 0.090 Uiso 1 1 calc R . .
H14B H 0.1750 0.4955 0.9787 0.090 Uiso 1 1 calc R . .
H14C H 0.0465 0.4439 0.8754 0.090 Uiso 1 1 calc R . .
C15 C 0.1420(8) 0.7714(7) 0.9385(6) 0.0315(15) Uani 1 1 d . . .
C16 C -0.0222(10) 0.7784(11) 0.8509(8) 0.078(4) Uani 1 1 d . . .
H16A H -0.0708 0.7110 0.8375 0.118 Uiso 1 1 calc R . .
H16B H -0.0046 0.8058 0.7789 0.118 Uiso 1 1 calc R . .
H16C H -0.0959 0.8230 0.8804 0.118 Uiso 1 1 calc R . .
C17 C 0.1123(15) 0.7354(7) 1.0515(9) 0.072(4) Uani 1 1 d . . .
H17A H 0.2163 0.7325 1.1084 0.108 Uiso 1 1 calc R . .
H17B H 0.0628 0.6681 1.0418 0.108 Uiso 1 1 calc R . .
H17C H 0.0384 0.7824 1.0774 0.108 Uiso 1 1 calc R . .
C18 C 0.2181(12) 0.8766(7) 0.9533(11) 0.073(3) Uani 1 1 d . . .
H18A H 0.1582 0.9192 0.9964 0.109 Uiso 1 1 calc R . .
H18B H 0.2124 0.9067 0.8780 0.109 Uiso 1 1 calc R . .
H18C H 0.3325 0.8716 0.9950 0.109 Uiso 1 1 calc R . .
C19 C 0.4770(8) 0.6601(5) 0.9879(6) 0.0242(15) Uani 1 1 d . . .
C20 C 0.4571(10) 0.5857(9) 1.0834(7) 0.057(3) Uani 1 1 d . . .
H20A H 0.5634 0.5748 1.1360 0.086 Uiso 1 1 calc R . .
H20B H 0.4146 0.5212 1.0491 0.086 Uiso 1 1 calc R . .
H20C H 0.3807 0.6141 1.1255 0.086 Uiso 1 1 calc R . .
C21 C 0.5513(10) 0.7591(9) 1.0403(8) 0.064(3) Uani 1 1 d . . .
H21A H 0.6563 0.7456 1.0934 0.097 Uiso 1 1 calc R . .
H21B H 0.4770 0.7912 1.0816 0.097 Uiso 1 1 calc R . .
H21C H 0.5684 0.8043 0.9795 0.097 Uiso 1 1 calc R . .
C22 C 0.6035(9) 0.6112(7) 0.9289(7) 0.048(2) Uani 1 1 d . . .
H22A H 0.6197 0.6548 0.8666 0.071 Uiso 1 1 calc R . .
H22B H 0.5633 0.5452 0.8979 0.071 Uiso 1 1 calc R . .
H22C H 0.7076 0.6026 0.9848 0.071 Uiso 1 1 calc R . .
Sb1 Sb 0.03584(5) 0.14692(4) 0.65839(4) 0.02616(12) Uani 1 1 d . . .
F1 F 0.1065(6) 0.0870(4) 0.8007(4) 0.0468(12) Uani 1 1 d . . .
F2 F 0.2500(5) 0.1510(4) 0.6410(4) 0.0527(13) Uani 1 1 d . . .
F3 F 0.0628(5) 0.2741(5) 0.7289(4) 0.0507(11) Uani 1 1 d . . .
F4 F -0.1793(5) 0.1420(4) 0.6754(4) 0.0491(12) Uani 1 1 d . . .
F5 F 0.0079(7) 0.0211(4) 0.5886(5) 0.0614(15) Uani 1 1 d . . .
F6 F -0.0355(7) 0.2122(4) 0.5171(4) 0.0632(16) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.02011(11) 0.03639(15) 0.01668(11) 0.00505(15) 0.00398(8) -0.00766(14)
C1 0.037(3) 0.044(4) 0.029(3) 0.019(3) 0.014(2) 0.000(3)
C2 0.037(3) 0.044(4) 0.029(3) 0.019(3) 0.014(2) 0.000(3)
C3 0.023(4) 0.040(5) 0.039(4) -0.001(3) 0.016(3) -0.004(3)
C4 0.030(4) 0.039(5) 0.056(5) 0.001(4) 0.022(4) -0.011(4)
C5 0.043(5) 0.044(5) 0.026(4) -0.001(4) -0.003(4) 0.004(4)
C6 0.036(5) 0.056(6) 0.025(4) -0.011(4) 0.006(4) -0.023(4)
C7 0.027(4) 0.036(5) 0.045(5) 0.001(4) 0.010(4) 0.003(3)
C8 0.033(4) 0.032(5) 0.023(4) 0.007(3) 0.006(3) -0.008(3)
C9 0.055(6) 0.037(5) 0.057(6) 0.002(4) 0.015(5) -0.019(4)
C10 0.035(4) 0.060(6) 0.039(5) 0.018(5) 0.021(4) 0.008(4)
P1 0.0168(8) 0.0222(9) 0.0141(8) 0.0006(7) 0.0054(7) -0.0027(6)
C11 0.016(3) 0.032(4) 0.022(3) -0.002(3) 0.004(3) -0.012(3)
C12 0.074(7) 0.064(7) 0.101(9) -0.060(7) 0.049(7) -0.033(6)
C13 0.097(9) 0.065(7) 0.064(7) 0.020(6) -0.059(7) -0.049(6)
C14 0.098(8) 0.043(6) 0.041(5) 0.002(4) 0.019(6) -0.038(5)
C15 0.034(3) 0.025(3) 0.042(4) 0.004(5) 0.022(3) 0.008(4)
C16 0.038(5) 0.123(11) 0.078(7) -0.004(9) 0.021(5) 0.051(7)
C17 0.125(9) 0.037(6) 0.083(7) 0.013(5) 0.085(8) 0.032(5)
C18 0.077(7) 0.019(5) 0.141(10) -0.011(6) 0.064(7) 0.012(4)
C19 0.022(3) 0.029(4) 0.021(3) 0.003(3) 0.003(3) -0.001(3)
C20 0.028(4) 0.107(8) 0.030(5) 0.025(5) -0.005(4) -0.008(5)
C21 0.048(5) 0.054(6) 0.070(6) -0.017(7) -0.030(4) -0.007(6)
C22 0.033(4) 0.062(6) 0.041(5) 0.013(4) -0.005(4) 0.026(4)
Sb1 0.0216(2) 0.0316(3) 0.0221(2) -0.0047(2) -0.00125(19) 0.0013(2)
F1 0.050(3) 0.049(3) 0.038(3) 0.011(2) 0.003(2) 0.004(2)
F2 0.034(2) 0.064(3) 0.066(3) 0.012(3) 0.023(2) 0.002(2)
F3 0.065(3) 0.030(2) 0.060(3) -0.008(3) 0.021(2) -0.008(3)
F4 0.025(2) 0.062(3) 0.057(3) -0.013(3) 0.004(2) -0.003(2)
F5 0.067(4) 0.047(3) 0.069(4) -0.039(3) 0.014(3) -0.010(3)
F6 0.073(4) 0.084(4) 0.030(3) 0.007(3) 0.005(3) 0.024(3)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C1 2.278(7) . ?
Au1 P1 2.2964(16) . ?
Au1 C2 2.301(7) . ?
C1 C2 1.351(11) . ?
C1 C5 1.465(11) . ?
C1 H1 0.9500 . ?
C2 C3 1.492(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.524(11) . ?
C3 C10 1.640(11) . ?
C3 H3 1.0000 . ?
C4 C5 1.511(11) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.586(11) . ?
C5 H5 1.0000 . ?
C6 C7 1.545(11) . ?
C6 C10 1.564(12) . ?
C6 H6 1.0000 . ?
C7 C8 1.423(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.394(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.492(12) . ?
C9 H9 0.9500 . ?
C10 H10 1.0000 . ?
P1 C11 1.891(7) . ?
P1 C15 1.898(7) . ?
P1 C19 1.902(7) . ?
C11 C13 1.508(11) . ?
C11 C14 1.536(10) . ?
C11 C12 1.573(12) . ?
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 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C17 1.513(11) . ?
C15 C18 1.528(13) . ?
C15 C16 1.534(10) . ?
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 C21 1.525(12) . ?
C19 C22 1.551(10) . ?
C19 C20 1.552(11) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Sb1 F1 1.855(4) . ?
Sb1 F5 1.856(5) . ?
Sb1 F2 1.861(4) . ?
Sb1 F4 1.869(4) . ?
Sb1 F3 1.876(6) . ?
Sb1 F6 1.877(5) . ?

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 Au1 P1 164.5(2) . . ?
C1 Au1 C2 34.3(3) . . ?
P1 Au1 C2 160.2(2) . . ?
C2 C1 C5 108.9(7) . . ?
C2 C1 Au1 73.8(4) . . ?
C5 C1 Au1 116.6(5) . . ?
C2 C1 H1 125.6 . . ?
C5 C1 H1 125.6 . . ?
Au1 C1 H1 81.7 . . ?
C1 C2 C3 108.2(7) . . ?
C1 C2 Au1 71.9(4) . . ?
C3 C2 Au1 112.1(5) . . ?
C1 C2 H2 125.9 . . ?
C3 C2 H2 125.9 . . ?
Au1 C2 H2 86.8 . . ?
C2 C3 C4 101.7(6) . . ?
C2 C3 C10 99.8(6) . . ?
C4 C3 C10 94.3(6) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
C10 C3 H3 118.9 . . ?
C5 C4 C3 98.2(7) . . ?
C5 C4 H4A 112.1 . . ?
C3 C4 H4A 112.1 . . ?
C5 C4 H4B 112.1 . . ?
C3 C4 H4B 112.1 . . ?
H4A C4 H4B 109.8 . . ?
C1 C5 C4 101.5(7) . . ?
C1 C5 C6 106.1(6) . . ?
C4 C5 C6 97.8(7) . . ?
C1 C5 H5 116.3 . . ?
C4 C5 H5 116.3 . . ?
C6 C5 H5 116.3 . . ?
C7 C6 C10 105.2(6) . . ?
C7 C6 C5 116.8(6) . . ?
C10 C6 C5 101.2(7) . . ?
C7 C6 H6 111.0 . . ?
C10 C6 H6 111.0 . . ?
C5 C6 H6 111.0 . . ?
C8 C7 C6 107.0(6) . . ?
C8 C7 H7A 110.3 . . ?
C6 C7 H7A 110.3 . . ?
C8 C7 H7B 110.3 . . ?
C6 C7 H7B 110.3 . . ?
H7A C7 H7B 108.6 . . ?
C9 C8 C7 112.0(7) . . ?
C9 C8 H8 124.0 . . ?
C7 C8 H8 124.0 . . ?
C8 C9 C10 111.2(8) . . ?
C8 C9 H9 124.4 . . ?
C10 C9 H9 124.4 . . ?
C9 C10 C6 104.1(7) . . ?
C9 C10 C3 114.0(7) . . ?
C6 C10 C3 104.9(6) . . ?
C9 C10 H10 111.2 . . ?
C6 C10 H10 111.2 . . ?
C3 C10 H10 111.2 . . ?
C11 P1 C15 110.9(3) . . ?
C11 P1 C19 112.0(3) . . ?
C15 P1 C19 110.1(3) . . ?
C11 P1 Au1 107.5(2) . . ?
C15 P1 Au1 107.4(3) . . ?
C19 P1 Au1 108.8(2) . . ?
C13 C11 C14 108.7(7) . . ?
C13 C11 C12 108.1(8) . . ?
C14 C11 C12 104.1(8) . . ?
C13 C11 P1 111.7(5) . . ?
C14 C11 P1 114.9(5) . . ?
C12 C11 P1 108.8(5) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 C18 109.5(8) . . ?
C17 C15 C16 109.0(8) . . ?
C18 C15 C16 108.1(9) . . ?
C17 C15 P1 113.6(6) . . ?
C18 C15 P1 108.7(5) . . ?
C16 C15 P1 107.7(6) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C22 106.8(6) . . ?
C21 C19 C20 110.2(7) . . ?
C22 C19 C20 106.0(6) . . ?
C21 C19 P1 110.5(5) . . ?
C22 C19 P1 109.3(5) . . ?
C20 C19 P1 113.7(5) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
F1 Sb1 F5 90.7(2) . . ?
F1 Sb1 F2 90.1(2) . . ?
F5 Sb1 F2 90.0(2) . . ?
F1 Sb1 F4 89.8(2) . . ?
F5 Sb1 F4 89.6(2) . . ?
F2 Sb1 F4 179.6(3) . . ?
F1 Sb1 F3 89.3(2) . . ?
F5 Sb1 F3 179.7(2) . . ?
F2 Sb1 F3 90.3(2) . . ?
F4 Sb1 F3 90.1(2) . . ?
F1 Sb1 F6 177.9(2) . . ?
F5 Sb1 F6 91.4(3) . . ?
F2 Sb1 F6 90.1(2) . . ?
F4 Sb1 F6 89.9(2) . . ?
F3 Sb1 F6 88.6(2) . . ?

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
P1 Au1 C1 C2 -163.8(6) . . . . ?
P1 Au1 C1 C5 92.8(9) . . . . ?
C2 Au1 C1 C5 -103.4(8) . . . . ?
C5 C1 C2 C3 5.1(8) . . . . ?
Au1 C1 C2 C3 -108.0(5) . . . . ?
C5 C1 C2 Au1 113.1(6) . . . . ?
P1 Au1 C2 C1 167.3(5) . . . . ?
C1 Au1 C2 C3 102.8(7) . . . . ?
P1 Au1 C2 C3 -89.9(8) . . . . ?
C1 C2 C3 C4 23.7(8) . . . . ?
Au1 C2 C3 C4 -53.6(7) . . . . ?
C1 C2 C3 C10 -72.8(7) . . . . ?
Au1 C2 C3 C10 -150.1(5) . . . . ?
C2 C3 C4 C5 -41.0(7) . . . . ?
C10 C3 C4 C5 59.9(6) . . . . ?
C2 C1 C5 C4 -32.1(8) . . . . ?
Au1 C1 C5 C4 48.8(8) . . . . ?
C2 C1 C5 C6 69.6(8) . . . . ?
Au1 C1 C5 C6 150.5(5) . . . . ?
C3 C4 C5 C1 44.1(7) . . . . ?
C3 C4 C5 C6 -64.2(7) . . . . ?
C1 C5 C6 C7 47.7(9) . . . . ?
C4 C5 C6 C7 152.1(7) . . . . ?
C1 C5 C6 C10 -65.9(8) . . . . ?
C4 C5 C6 C10 38.5(7) . . . . ?
C10 C6 C7 C8 6.8(8) . . . . ?
C5 C6 C7 C8 -104.4(8) . . . . ?
C6 C7 C8 C9 -7.2(9) . . . . ?
C7 C8 C9 C10 4.6(10) . . . . ?
C8 C9 C10 C6 0.0(9) . . . . ?
C8 C9 C10 C3 113.7(7) . . . . ?
C7 C6 C10 C9 -4.1(8) . . . . ?
C5 C6 C10 C9 117.8(7) . . . . ?
C7 C6 C10 C3 -124.2(7) . . . . ?
C5 C6 C10 C3 -2.2(7) . . . . ?
C2 C3 C10 C9 -44.7(9) . . . . ?
C4 C3 C10 C9 -147.4(7) . . . . ?
C2 C3 C10 C6 68.4(7) . . . . ?
C4 C3 C10 C6 -34.3(7) . . . . ?
C1 Au1 P1 C11 117.4(8) . . . . ?
C2 Au1 P1 C11 -35.0(6) . . . . ?
C1 Au1 P1 C15 -2.0(8) . . . . ?
C2 Au1 P1 C15 -154.4(6) . . . . ?
C1 Au1 P1 C19 -121.1(8) . . . . ?
C2 Au1 P1 C19 86.5(6) . . . . ?
C15 P1 C11 C13 72.3(8) . . . . ?
C19 P1 C11 C13 -164.3(7) . . . . ?
Au1 P1 C11 C13 -44.9(7) . . . . ?
C15 P1 C11 C14 -52.2(7) . . . . ?
C19 P1 C11 C14 71.3(7) . . . . ?
Au1 P1 C11 C14 -169.3(6) . . . . ?
C15 P1 C11 C12 -168.4(6) . . . . ?
C19 P1 C11 C12 -44.9(7) . . . . ?
Au1 P1 C11 C12 74.5(6) . . . . ?
C11 P1 C15 C17 72.0(8) . . . . ?
C19 P1 C15 C17 -52.5(8) . . . . ?
Au1 P1 C15 C17 -170.8(7) . . . . ?
C11 P1 C15 C18 -165.9(6) . . . . ?
C19 P1 C15 C18 69.7(7) . . . . ?
Au1 P1 C15 C18 -48.6(6) . . . . ?
C11 P1 C15 C16 -48.9(8) . . . . ?
C19 P1 C15 C16 -173.4(7) . . . . ?
Au1 P1 C15 C16 68.3(7) . . . . ?
C11 P1 C19 C21 -173.4(6) . . . . ?
C15 P1 C19 C21 -49.5(7) . . . . ?
Au1 P1 C19 C21 68.0(6) . . . . ?
C11 P1 C19 C22 69.4(6) . . . . ?
C15 P1 C19 C22 -166.7(5) . . . . ?
Au1 P1 C19 C22 -49.3(5) . . . . ?
C11 P1 C19 C20 -48.9(7) . . . . ?
C15 P1 C19 C20 75.0(7) . . . . ?
Au1 P1 C19 C20 -167.5(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.097
_refine_diff_density_min         -1.261
_refine_diff_density_rms         0.157