# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Xiaodong Shi'
_publ_contact_author_email       xiaodong.shi@mail.wvu.edu

_publ_section_title              
;
Synthesis and Characterization
of aNeutrala Carbon Ligand Coordinated Gold(I)
Complexes with Acid Stable Au-C Bond
;
_publ_author_name                'Xiaodong Shi.'

# Attachment '- 5a and 5e.cif'

data_xs0ccd
_database_code_depnum_ccdc_archive 'CCDC 756836'
#TrackingRef '- 5a and 5e.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H28 Au Cl2 F3 N3 O3 P S'
_chemical_formula_weight         890.47

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'
N N 0.0061 0.0033 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
O O 0.0106 0.0060 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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                   9.0504(7)
_cell_length_b                   20.3438(16)
_cell_length_c                   18.8056(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.805(2)
_cell_angle_gamma                90.00
_cell_volume                     3376.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    7989
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      27.50

_exptl_crystal_description       ?
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1744
_exptl_absorpt_coefficient_mu    4.679
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            22234
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         27.53
_reflns_number_total             7527
_reflns_number_gt                6333
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_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^)+(0.0560P)^2^+1.5537P] 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    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7527
_refine_ls_number_parameters     416
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.1108
_refine_ls_wR_factor_gt          0.1012
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.025
_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 0.423743(12) 0.461465(7) 0.791278(6) 0.05107(4) Uani 1 1 d . . .
Cl1 Cl 0.14879(16) 0.66538(8) 0.79738(8) 0.1025(4) Uani 1 1 d D . .
Cl2 Cl 0.1437(2) 0.79548(9) 0.86033(9) 0.1304(6) Uani 1 1 d D . .
P1 P 0.45542(8) 0.47457(4) 0.67494(5) 0.04545(18) Uani 1 1 d . . .
N1 N 0.4496(3) 0.39326(15) 1.00218(15) 0.0541(7) Uani 1 1 d . . .
N2 N 0.3402(3) 0.43773(14) 1.00275(15) 0.0493(6) Uani 1 1 d . . .
N3 N 0.4762(3) 0.35311(16) 1.06244(16) 0.0567(7) Uani 1 1 d . . .
C1 C 0.4081(4) 0.44354(18) 0.89575(19) 0.0524(8) Uani 1 1 d . . .
C2 C 0.4925(4) 0.39538(19) 0.93869(19) 0.0572(9) Uani 1 1 d . . .
H2 H 0.5663 0.3691 0.9256 0.069 Uiso 1 1 calc R . .
C3 C 0.3108(4) 0.46938(16) 0.93844(19) 0.0496(8) Uani 1 1 d . . .
C4 C 0.1923(4) 0.5206(2) 0.9213(2) 0.0673(10) Uani 1 1 d . . .
H4A H 0.2056 0.5515 0.9607 0.101 Uiso 1 1 calc R . .
H4B H 0.0942 0.5005 0.9147 0.101 Uiso 1 1 calc R . .
H4C H 0.2001 0.5429 0.8773 0.101 Uiso 1 1 calc R . .
C5 C 0.2873(3) 0.42971(18) 1.06964(17) 0.0523(8) Uani 1 1 d . . .
H5A H 0.1802 0.4193 1.0601 0.063 Uiso 1 1 calc R . .
H5B H 0.3074 0.4684 1.1004 0.063 Uiso 1 1 calc R . .
C6 C 0.3837(3) 0.37248(17) 1.10199(18) 0.0516(8) Uani 1 1 d . . .
C7 C 0.3728(4) 0.33683(18) 1.16851(18) 0.0546(8) Uani 1 1 d . . .
C8 C 0.2690(4) 0.3552(2) 1.2080(2) 0.0696(10) Uani 1 1 d . . .
H8 H 0.2069 0.3915 1.1940 0.084 Uiso 1 1 calc R . .
C9 C 0.2576(5) 0.3186(3) 1.2698(2) 0.0835(13) Uani 1 1 d . . .
H9 H 0.1872 0.3305 1.2968 0.100 Uiso 1 1 calc R . .
C10 C 0.3483(6) 0.2660(3) 1.2903(2) 0.0849(14) Uani 1 1 d . . .
H10 H 0.3386 0.2419 1.3311 0.102 Uiso 1 1 calc R . .
C11 C 0.4548(5) 0.2475(2) 1.2522(2) 0.0787(12) Uani 1 1 d . . .
H11 H 0.5188 0.2121 1.2678 0.094 Uiso 1 1 calc R . .
C12 C 0.4654(4) 0.2822(2) 1.1902(2) 0.0669(10) Uani 1 1 d . . .
H12 H 0.5344 0.2692 1.1629 0.080 Uiso 1 1 calc R . .
C13 C 0.3424(3) 0.54053(15) 0.62528(19) 0.0458(7) Uani 1 1 d . . .
C14 C 0.2531(4) 0.53238(17) 0.5558(2) 0.0563(9) Uani 1 1 d . . .
H14 H 0.2495 0.4917 0.5329 0.068 Uiso 1 1 calc R . .
C15 C 0.1698(4) 0.5840(2) 0.5203(2) 0.0667(10) Uani 1 1 d . . .
H15 H 0.1090 0.5778 0.4740 0.080 Uiso 1 1 calc R . .
C16 C 0.1760(4) 0.6442(2) 0.5529(2) 0.0658(10) Uani 1 1 d . . .
H16 H 0.1205 0.6791 0.5284 0.079 Uiso 1 1 calc R . .
C17 C 0.2649(4) 0.65346(19) 0.6222(2) 0.0657(10) Uani 1 1 d . . .
H17 H 0.2694 0.6945 0.6445 0.079 Uiso 1 1 calc R . .
C18 C 0.3463(4) 0.60159(18) 0.6579(2) 0.0600(9) Uani 1 1 d . . .
H18 H 0.4050 0.6076 0.7047 0.072 Uiso 1 1 calc R . .
C19 C 0.4065(3) 0.40325(16) 0.61737(18) 0.0496(7) Uani 1 1 d . . .
C20 C 0.4924(4) 0.38267(19) 0.5686(2) 0.0624(9) Uani 1 1 d . . .
H20 H 0.5825 0.4043 0.5677 0.075 Uiso 1 1 calc R . .
C21 C 0.4462(5) 0.3305(2) 0.5214(3) 0.0783(12) Uani 1 1 d . . .
H21 H 0.5058 0.3168 0.4897 0.094 Uiso 1 1 calc R . .
C22 C 0.3129(5) 0.2994(2) 0.5217(3) 0.0813(13) Uani 1 1 d . . .
H22 H 0.2801 0.2651 0.4893 0.098 Uiso 1 1 calc R . .
C23 C 0.2272(5) 0.3184(2) 0.5696(3) 0.0805(14) Uani 1 1 d . . .
H23 H 0.1368 0.2966 0.5695 0.097 Uiso 1 1 calc R . .
C24 C 0.2724(4) 0.3692(2) 0.6179(2) 0.0669(10) Uani 1 1 d . . .
H24 H 0.2138 0.3809 0.6508 0.080 Uiso 1 1 calc R . .
C25 C 0.6504(3) 0.49406(17) 0.67312(17) 0.0475(7) Uani 1 1 d . . .
C26 C 0.7655(4) 0.46574(19) 0.7250(3) 0.0651(11) Uani 1 1 d . . .
H26 H 0.7428 0.4377 0.7602 0.078 Uiso 1 1 calc R . .
C27 C 0.9144(4) 0.4796(3) 0.7239(3) 0.0847(14) Uani 1 1 d . . .
H27 H 0.9918 0.4606 0.7588 0.102 Uiso 1 1 calc R . .
C28 C 0.9498(4) 0.5201(3) 0.6730(3) 0.0857(14) Uani 1 1 d . . .
H28 H 1.0508 0.5286 0.6730 0.103 Uiso 1 1 calc R . .
C29 C 0.8370(4) 0.5486(2) 0.6216(3) 0.0725(11) Uani 1 1 d . . .
H29 H 0.8617 0.5766 0.5869 0.087 Uiso 1 1 calc R . .
C30 C 0.6851(4) 0.53585(17) 0.6211(2) 0.0587(9) Uani 1 1 d . . .
H30 H 0.6084 0.5552 0.5862 0.070 Uiso 1 1 calc R . .
C31 C 0.1391(8) 0.7104(3) 0.8732(3) 0.123(2) Uani 1 1 d D . .
H31A H 0.2233 0.6981 0.9125 0.147 Uiso 1 1 calc R . .
H31B H 0.0463 0.6992 0.8880 0.147 Uiso 1 1 calc R . .
S1 S 0.08296(11) 0.65070(5) 0.06339(6) 0.0660(2) Uani 1 1 d . . .
C32 C 0.0107(6) 0.6845(2) 0.1355(3) 0.0870(13) Uani 1 1 d . . .
F1 F -0.0981(4) 0.6531(2) 0.1498(3) 0.2128(15) Uani 1 1 d . . .
F2 F 0.1242(7) 0.6836(3) 0.1965(2) 0.179(2) Uani 1 1 d . . .
F3 F -0.0223(3) 0.74724(13) 0.12808(17) 0.0959(8) Uani 1 1 d . . .
O1 O 0.1057(5) 0.58346(16) 0.0807(2) 0.1143(12) Uani 1 1 d . . .
O2 O -0.0401(6) 0.6634(2) 0.0021(2) 0.1368(17) Uani 1 1 d . . .
O3 O 0.2104(3) 0.68904(17) 0.0593(2) 0.1032(12) 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 0.05232(7) 0.06032(9) 0.04296(8) 0.00416(5) 0.01571(6) -0.00183(5)
Cl1 0.1109(8) 0.0967(9) 0.0985(10) 0.0059(7) 0.0199(8) 0.0046(7)
Cl2 0.1869(15) 0.1192(12) 0.0962(10) -0.0169(9) 0.0553(10) -0.0228(11)
P1 0.0439(3) 0.0524(4) 0.0412(4) 0.0040(3) 0.0120(3) -0.0001(3)
N1 0.0543(12) 0.0651(17) 0.0464(14) 0.0018(12) 0.0188(11) 0.0041(12)
N2 0.0529(11) 0.0510(14) 0.0483(14) -0.0033(12) 0.0207(11) -0.0032(11)
N3 0.0602(13) 0.0665(18) 0.0456(14) 0.0063(13) 0.0163(12) 0.0027(13)
C1 0.0537(14) 0.0593(18) 0.0466(17) 0.0009(15) 0.0161(13) -0.0082(14)
C2 0.0557(14) 0.072(2) 0.0485(17) 0.0038(15) 0.0210(13) 0.0049(15)
C3 0.0518(14) 0.0523(18) 0.0456(17) -0.0041(13) 0.0124(13) -0.0067(13)
C4 0.0718(19) 0.063(2) 0.068(2) 0.0019(19) 0.0189(18) 0.0146(18)
C5 0.0597(14) 0.0595(19) 0.0431(16) -0.0081(14) 0.0229(13) -0.0105(14)
C6 0.0560(14) 0.0576(18) 0.0428(16) -0.0048(13) 0.0146(13) -0.0100(14)
C7 0.0607(15) 0.063(2) 0.0401(16) -0.0038(14) 0.0117(13) -0.0193(15)
C8 0.0771(19) 0.084(3) 0.055(2) -0.0027(18) 0.0281(17) -0.011(2)
C9 0.101(2) 0.101(3) 0.061(2) -0.002(2) 0.044(2) -0.024(2)
C10 0.106(3) 0.089(3) 0.060(2) 0.017(2) 0.021(2) -0.022(3)
C11 0.096(3) 0.075(3) 0.064(2) 0.007(2) 0.014(2) -0.015(2)
C12 0.0751(19) 0.074(2) 0.054(2) -0.0029(17) 0.0186(17) -0.0128(19)
C13 0.0415(12) 0.0521(18) 0.0450(17) 0.0028(12) 0.0124(12) 0.0019(11)
C14 0.0670(18) 0.058(2) 0.0423(18) -0.0029(13) 0.0079(15) 0.0086(15)
C15 0.075(2) 0.069(2) 0.050(2) 0.0005(17) 0.0013(17) 0.0113(19)
C16 0.0674(17) 0.066(2) 0.062(2) 0.0093(18) 0.0100(17) 0.0198(17)
C17 0.0699(18) 0.0516(19) 0.072(2) -0.0056(17) 0.0080(18) 0.0104(17)
C18 0.0574(16) 0.060(2) 0.057(2) -0.0099(16) 0.0007(15) 0.0066(15)
C19 0.0509(13) 0.0474(16) 0.0488(17) 0.0060(13) 0.0074(13) -0.0010(13)
C20 0.0681(17) 0.055(2) 0.067(2) -0.0054(16) 0.0211(17) -0.0040(16)
C21 0.099(3) 0.068(2) 0.070(3) -0.011(2) 0.024(2) -0.001(2)
C22 0.096(3) 0.054(2) 0.076(3) -0.004(2) -0.016(2) -0.005(2)
C23 0.0652(19) 0.066(2) 0.097(3) 0.011(2) -0.009(2) -0.0159(19)
C24 0.0552(15) 0.059(2) 0.084(3) 0.0079(19) 0.0105(17) -0.0069(16)
C25 0.0420(12) 0.0517(17) 0.0489(16) -0.0014(13) 0.0104(12) -0.0014(12)
C26 0.0558(17) 0.072(3) 0.064(2) 0.0081(17) 0.0063(17) -0.0003(16)
C27 0.0473(16) 0.109(3) 0.091(3) -0.004(3) 0.000(2) 0.005(2)
C28 0.0491(16) 0.100(3) 0.114(4) -0.022(3) 0.031(2) -0.012(2)
C29 0.0637(18) 0.084(3) 0.077(3) -0.005(2) 0.0314(18) -0.0199(18)
C30 0.0555(16) 0.067(2) 0.055(2) 0.0015(15) 0.0168(15) -0.0076(14)
C31 0.146(5) 0.151(6) 0.081(3) 0.024(4) 0.047(3) 0.000(4)
S1 0.0760(5) 0.0571(5) 0.0713(6) -0.0160(4) 0.0302(4) -0.0062(4)
C32 0.134(3) 0.062(2) 0.080(3) -0.003(2) 0.056(3) 0.007(3)
F1 0.258(2) 0.111(3) 0.361(4) -0.074(2) 0.265(2) -0.071(2)
F2 0.305(6) 0.152(4) 0.0583(19) -0.007(2) -0.005(3) 0.040(4)
F3 0.1061(15) 0.0666(15) 0.129(2) -0.0205(14) 0.0557(15) 0.0082(13)
O1 0.180(3) 0.0507(16) 0.132(3) -0.0083(18) 0.076(3) 0.007(2)
O2 0.163(4) 0.154(4) 0.074(2) -0.019(3) -0.015(3) -0.014(3)
O3 0.0873(16) 0.075(2) 0.166(3) -0.002(2) 0.0670(19) 0.0028(16)

_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 2.034(3) . ?
Au1 P1 2.2842(9) . ?
Cl1 C31 1.713(5) . ?
Cl2 C31 1.749(5) . ?
P1 C19 1.806(4) . ?
P1 C13 1.815(3) . ?
P1 C25 1.817(3) . ?
N1 C2 1.336(4) . ?
N1 N2 1.343(4) . ?
N1 N3 1.374(4) . ?
N2 C3 1.344(4) . ?
N2 C5 1.451(4) . ?
N3 C6 1.299(4) . ?
C1 C2 1.387(5) . ?
C1 C3 1.418(5) . ?
C3 C4 1.478(5) . ?
C5 C6 1.500(5) . ?
C6 C7 1.468(5) . ?
C7 C8 1.373(5) . ?
C7 C12 1.397(5) . ?
C8 C9 1.405(6) . ?
C9 C10 1.351(7) . ?
C10 C11 1.376(7) . ?
C11 C12 1.384(6) . ?
C13 C18 1.383(5) . ?
C13 C14 1.386(5) . ?
C14 C15 1.376(5) . ?
C15 C16 1.365(6) . ?
C16 C17 1.385(5) . ?
C17 C18 1.374(5) . ?
C19 C20 1.392(5) . ?
C19 C24 1.399(5) . ?
C20 C21 1.388(6) . ?
C21 C22 1.363(7) . ?
C22 C23 1.367(7) . ?
C23 C24 1.377(6) . ?
C25 C30 1.384(5) . ?
C25 C26 1.385(5) . ?
C26 C27 1.381(6) . ?
C27 C28 1.355(8) . ?
C28 C29 1.370(7) . ?
C29 C30 1.397(5) . ?
S1 O3 1.408(3) . ?
S1 O1 1.411(3) . ?
S1 O2 1.437(4) . ?
S1 C32 1.770(5) . ?
C32 F1 1.251(6) . ?
C32 F3 1.312(5) . ?
C32 F2 1.360(7) . ?

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 175.24(10) . . ?
C19 P1 C13 104.48(15) . . ?
C19 P1 C25 105.92(15) . . ?
C13 P1 C25 105.54(15) . . ?
C19 P1 Au1 114.48(11) . . ?
C13 P1 Au1 113.77(11) . . ?
C25 P1 Au1 111.86(11) . . ?
C2 N1 N2 110.3(3) . . ?
C2 N1 N3 136.4(3) . . ?
N2 N1 N3 112.9(3) . . ?
N1 N2 C3 108.4(3) . . ?
N1 N2 C5 108.5(3) . . ?
C3 N2 C5 142.8(3) . . ?
C6 N3 N1 105.9(3) . . ?
C2 C1 C3 105.3(3) . . ?
C2 C1 Au1 122.8(3) . . ?
C3 C1 Au1 131.7(3) . . ?
N1 C2 C1 108.2(3) . . ?
N2 C3 C1 107.9(3) . . ?
N2 C3 C4 121.6(3) . . ?
C1 C3 C4 130.5(3) . . ?
N2 C5 C6 99.5(3) . . ?
N3 C6 C7 120.8(3) . . ?
N3 C6 C5 113.2(3) . . ?
C7 C6 C5 125.9(3) . . ?
C8 C7 C12 119.8(4) . . ?
C8 C7 C6 120.6(3) . . ?
C12 C7 C6 119.5(3) . . ?
C7 C8 C9 119.2(4) . . ?
C10 C9 C8 120.3(4) . . ?
C9 C10 C11 121.3(4) . . ?
C10 C11 C12 119.1(4) . . ?
C11 C12 C7 120.2(4) . . ?
C18 C13 C14 118.6(3) . . ?
C18 C13 P1 118.7(3) . . ?
C14 C13 P1 122.8(2) . . ?
C15 C14 C13 120.6(3) . . ?
C16 C15 C14 120.2(4) . . ?
C15 C16 C17 120.1(4) . . ?
C18 C17 C16 119.5(4) . . ?
C17 C18 C13 121.0(3) . . ?
C20 C19 C24 117.9(3) . . ?
C20 C19 P1 122.5(3) . . ?
C24 C19 P1 119.4(3) . . ?
C21 C20 C19 121.2(4) . . ?
C22 C21 C20 119.6(4) . . ?
C21 C22 C23 120.2(4) . . ?
C22 C23 C24 121.2(4) . . ?
C23 C24 C19 119.9(4) . . ?
C30 C25 C26 120.0(3) . . ?
C30 C25 P1 121.4(2) . . ?
C26 C25 P1 118.6(3) . . ?
C27 C26 C25 119.3(4) . . ?
C28 C27 C26 121.3(4) . . ?
C27 C28 C29 120.0(4) . . ?
C28 C29 C30 120.3(4) . . ?
C25 C30 C29 119.1(4) . . ?
Cl1 C31 Cl2 114.0(3) . . ?
O3 S1 O1 118.1(2) . . ?
O3 S1 O2 110.8(3) . . ?
O1 S1 O2 114.0(3) . . ?
O3 S1 C32 105.8(2) . . ?
O1 S1 C32 105.0(2) . . ?
O2 S1 C32 101.1(3) . . ?
F1 C32 F3 110.3(4) . . ?
F1 C32 F2 107.2(5) . . ?
F3 C32 F2 102.3(4) . . ?
F1 C32 S1 114.1(4) . . ?
F3 C32 S1 114.2(3) . . ?
F2 C32 S1 107.6(4) . . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        27.53
_diffrn_measured_fraction_theta_full 0.967
_refine_diff_density_max         0.886
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.132

data_xs4ccd
_database_code_depnum_ccdc_archive 'CCDC 756837'
#TrackingRef '- 5a and 5e.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H28 Au F6 N3 P Sb'
_chemical_formula_weight         954.29

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'
N N 0.0061 0.0033 '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'
Au Au -2.0133 8.8022 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1764(10)
_cell_length_b                   9.9896(11)
_cell_length_c                   18.8049(19)
_cell_angle_alpha                90.336(2)
_cell_angle_beta                 101.159(2)
_cell_angle_gamma                92.094(2)
_cell_volume                     1690.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9423
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      27.51

_exptl_crystal_description       ?
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             916
_exptl_absorpt_coefficient_mu    5.245
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            11871
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         27.55
_reflns_number_total             7469
_reflns_number_gt                6693
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_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^)+(0.0536P)^2^+0.1133P] 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    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7469
_refine_ls_number_parameters     589
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0336
_refine_ls_wR_factor_ref         0.0915
_refine_ls_wR_factor_gt          0.0882
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.002

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 0.927422(16) 0.326217(15) 0.242452(6) 0.05113(7) Uani 1 1 d . A .
Sb2 Sb 0.42051(3) 0.63351(3) 0.305254(14) 0.05648(9) Uani 1 1 d . . .
P1 P 0.95575(11) 0.20558(11) 0.14279(5) 0.0496(2) Uani 1 1 d D . .
F1 F 0.6028(4) 0.7023(4) 0.3543(2) 0.1133(13) Uani 1 1 d . . .
F2 F 0.3201(8) 0.7047(9) 0.3703(3) 0.204(3) Uani 1 1 d . . .
F3 F 0.2398(4) 0.5616(5) 0.2562(3) 0.1337(17) Uani 1 1 d . . .
F4 F 0.5147(6) 0.5705(7) 0.2351(3) 0.173(3) Uani 1 1 d . . .
F5 F 0.3929(6) 0.7907(5) 0.2531(3) 0.148(2) Uani 1 1 d . . .
F6 F 0.4567(7) 0.4825(6) 0.3561(5) 0.237(5) Uani 1 1 d . . .
N1 N 0.8266(4) 0.5030(3) 0.43205(15) 0.0472(7) Uani 1 1 d . . .
N2 N 0.9086(4) 0.6040(3) 0.40866(16) 0.0488(7) Uani 1 1 d . . .
N3 N 0.9225(4) 0.7191(3) 0.45093(17) 0.0510(7) Uani 1 1 d . . .
C1 C 0.8933(4) 0.4362(4) 0.32978(18) 0.0484(8) Uani 1 1 d . . .
C2 C 0.9492(5) 0.5659(4) 0.34711(19) 0.0522(8) Uani 1 1 d . A .
H2 H 1.0054 0.6175 0.3205 0.063 Uiso 1 1 calc R . .
C3 C 0.8135(4) 0.3985(4) 0.38396(18) 0.0452(7) Uani 1 1 d . A .
C4 C 0.7384(4) 0.2723(4) 0.39596(18) 0.0471(7) Uani 1 1 d . . .
C5 C 0.6938(5) 0.1804(5) 0.3383(2) 0.0612(10) Uani 1 1 d . A .
H5 H 0.7031 0.2050 0.2917 0.073 Uiso 1 1 calc R . .
C6 C 0.6369(6) 0.0552(5) 0.3493(3) 0.0712(12) Uani 1 1 d . . .
H6 H 0.6072 -0.0036 0.3103 0.085 Uiso 1 1 calc R A .
C7 C 0.6233(6) 0.0155(5) 0.4187(3) 0.0697(12) Uani 1 1 d . A .
H7 H 0.5892 -0.0709 0.4266 0.084 Uiso 1 1 calc R . .
C8 C 0.6612(5) 0.1063(5) 0.4755(2) 0.0604(10) Uani 1 1 d . . .
H8 H 0.6485 0.0817 0.5216 0.072 Uiso 1 1 calc R A .
C9 C 0.7179(4) 0.2332(4) 0.4648(2) 0.0516(8) Uani 1 1 d . A .
H9 H 0.7426 0.2930 0.5037 0.062 Uiso 1 1 calc R . .
C10 C 0.7693(4) 0.5570(4) 0.49351(18) 0.0476(8) Uani 1 1 d . . .
H10A H 0.7987 0.5048 0.5369 0.057 Uiso 1 1 calc R . .
H10B H 0.6620 0.5622 0.4826 0.057 Uiso 1 1 calc R . .
C11 C 0.8457(4) 0.6943(4) 0.50049(18) 0.0468(8) Uani 1 1 d . . .
C12 C 0.8384(4) 0.7905(4) 0.55868(18) 0.0469(7) Uani 1 1 d . . .
C13 C 0.9376(5) 0.8991(4) 0.5714(2) 0.0570(9) Uani 1 1 d . . .
H13 H 1.0091 0.9113 0.5429 0.068 Uiso 1 1 calc R . .
C14 C 0.9312(6) 0.9902(5) 0.6266(2) 0.0687(12) Uani 1 1 d . . .
H14 H 0.9988 1.0629 0.6351 0.082 Uiso 1 1 calc R . .
C15 C 0.8260(6) 0.9734(6) 0.6684(2) 0.0725(14) Uani 1 1 d . . .
H15 H 0.8202 1.0357 0.7046 0.087 Uiso 1 1 calc R . .
C16 C 0.7281(6) 0.8633(6) 0.6568(2) 0.0782(15) Uani 1 1 d . . .
H16 H 0.6581 0.8505 0.6861 0.094 Uiso 1 1 calc R . .
C17 C 0.7338(5) 0.7720(6) 0.6017(2) 0.0666(11) Uani 1 1 d . . .
H17 H 0.6673 0.6985 0.5937 0.080 Uiso 1 1 calc R . .
C18 C 1.1433(9) 0.2197(12) 0.1203(6) 0.047(2) Uani 0.485(6) 1 d PD A 1
C19 C 1.264(2) 0.259(2) 0.1746(8) 0.050(3) Uani 0.485(6) 1 d P A 1
H19A H 1.2475 0.2779 0.2209 0.060 Uiso 0.485(6) 1 calc PR A 1
C20 C 1.413(3) 0.271(4) 0.161(2) 0.058(4) Uani 0.485(6) 1 d P A 1
H20A H 1.4934 0.2990 0.1970 0.070 Uiso 0.485(6) 1 calc PR A 1
C21 C 1.4294(11) 0.2389(11) 0.0896(6) 0.071(3) Uani 0.485(6) 1 d P A 1
H21A H 1.5235 0.2460 0.0782 0.085 Uiso 0.485(6) 1 calc PR A 1
C22 C 1.3127(12) 0.1979(13) 0.0375(6) 0.080(3) Uani 0.485(6) 1 d P A 1
H22A H 1.3284 0.1753 -0.0084 0.097 Uiso 0.485(6) 1 calc PR A 1
C23 C 1.1703(10) 0.1892(11) 0.0518(5) 0.066(3) Uani 0.485(6) 1 d P A 1
H23A H 1.0912 0.1626 0.0150 0.080 Uiso 0.485(6) 1 calc PR A 1
C18' C 1.1438(9) 0.1662(12) 0.1409(5) 0.053(2) Uani 0.515(6) 1 d PD A 2
C19' C 1.1884(9) 0.0385(8) 0.1334(4) 0.0544(18) Uani 0.515(6) 1 d P A 2
H19B H 1.1191 -0.0329 0.1276 0.065 Uiso 0.515(6) 1 calc PR A 2
C20' C 1.3355(12) 0.0158(11) 0.1344(5) 0.076(3) Uani 0.515(6) 1 d P A 2
H20B H 1.3660 -0.0704 0.1280 0.092 Uiso 0.515(6) 1 calc PR A 2
C21' C 1.4399(11) 0.1252(14) 0.1454(6) 0.080(3) Uani 0.515(6) 1 d P A 2
H21B H 1.5406 0.1131 0.1475 0.096 Uiso 0.515(6) 1 calc PR A 2
C22' C 1.387(4) 0.248(4) 0.153(2) 0.073(8) Uani 0.515(6) 1 d P A 2
H22B H 1.4557 0.3199 0.1585 0.087 Uiso 0.515(6) 1 calc PR A 2
C23' C 1.245(3) 0.276(2) 0.1521(8) 0.061(4) Uani 0.515(6) 1 d P A 2
H23B H 1.2152 0.3623 0.1588 0.073 Uiso 0.515(6) 1 calc PR A 2
C24 C 0.9225(13) 0.0278(8) 0.1530(5) 0.055(2) Uani 0.495(6) 1 d PD A 1
C25 C 0.7840(17) -0.0070(16) 0.1700(7) 0.068(3) Uani 0.495(6) 1 d P A 1
H25A H 0.7152 0.0593 0.1694 0.081 Uiso 0.495(6) 1 calc PR A 1
C26 C 0.744(4) -0.141(3) 0.1882(19) 0.093(10) Uani 0.495(6) 1 d P A 1
H26A H 0.6610 -0.1636 0.2078 0.111 Uiso 0.495(6) 1 calc PR A 1
C27 C 0.9840(15) -0.2025(12) 0.1526(6) 0.085(3) Uani 0.495(6) 1 d P A 1
H27A H 1.0499 -0.2676 0.1457 0.102 Uiso 0.495(6) 1 calc PR A 1
C28 C 0.849(2) -0.2398(15) 0.1723(6) 0.092(4) Uani 0.495(6) 1 d P A 1
H28A H 0.8253 -0.3305 0.1756 0.110 Uiso 0.495(6) 1 calc PR A 1
C29 C 1.0198(12) -0.0681(10) 0.1435(5) 0.069(3) Uani 0.495(6) 1 d P A 1
H29A H 1.1100 -0.0434 0.1308 0.083 Uiso 0.495(6) 1 calc PR A 1
C24' C 0.8495(12) 0.0442(8) 0.1347(5) 0.052(2) Uani 0.505(6) 1 d PD A 2
C25' C 0.8319(15) -0.0268(14) 0.1958(7) 0.059(3) Uani 0.505(6) 1 d P A 2
H24B H 0.8645 0.0086 0.2422 0.071 Uiso 0.505(6) 1 calc PR A 2
C26' C 0.763(3) -0.155(2) 0.1842(13) 0.083(9) Uani 0.505(6) 1 d P A 2
H26B H 0.7738 -0.2107 0.2240 0.099 Uiso 0.505(6) 1 calc PR A 2
C27' C 0.6862(15) -0.2022(12) 0.1254(7) 0.085(3) Uani 0.505(6) 1 d P A 2
H27B H 0.6219 -0.2766 0.1246 0.102 Uiso 0.505(6) 1 calc PR A 2
C28' C 0.7027(15) -0.1408(13) 0.0657(6) 0.087(3) Uani 0.505(6) 1 d P A 2
H28B H 0.6640 -0.1818 0.0211 0.104 Uiso 0.505(6) 1 calc PR A 2
C29' C 0.7774(12) -0.0148(10) 0.0671(5) 0.068(2) Uani 0.505(6) 1 d P A 2
H29B H 0.7797 0.0300 0.0240 0.082 Uiso 0.505(6) 1 calc PR A 2
C30 C 0.8364(12) 0.2632(19) 0.0615(6) 0.051(3) Uani 0.498(9) 1 d PD A 1
C31 C 0.815(2) 0.395(2) 0.0514(11) 0.074(4) Uani 0.498(9) 1 d P A 1
H31A H 0.8732 0.4526 0.0855 0.089 Uiso 0.498(9) 1 calc PR A 1
C32 C 0.714(5) 0.457(4) -0.006(2) 0.103(10) Uani 0.498(9) 1 d P A 1
H32A H 0.6884 0.5466 -0.0064 0.123 Uiso 0.498(9) 1 calc PR A 1
C33 C 0.661(2) 0.360(2) -0.0608(7) 0.097(4) Uani 0.498(9) 1 d P A 1
H33A H 0.6087 0.3903 -0.1049 0.116 Uiso 0.498(9) 1 calc PR A 1
C34 C 0.6820(14) 0.2209(17) -0.0533(6) 0.095(5) Uani 0.498(9) 1 d P A 1
H34A H 0.6368 0.1617 -0.0900 0.115 Uiso 0.498(9) 1 calc PR A 1
C35 C 0.7673(10) 0.1744(12) 0.0070(5) 0.070(3) Uani 0.498(9) 1 d P A 1
H35A H 0.7802 0.0828 0.0123 0.084 Uiso 0.498(9) 1 calc PR A 1
C30' C 0.8814(14) 0.2868(18) 0.0579(7) 0.053(3) Uani 0.502(9) 1 d PD A 2
C31' C 0.760(2) 0.367(2) 0.0556(11) 0.080(5) Uani 0.502(9) 1 d P A 2
H31B H 0.7161 0.3830 0.0954 0.096 Uiso 0.502(9) 1 calc PR A 2
C32' C 0.709(5) 0.423(4) -0.0141(15) 0.097(10) Uani 0.502(9) 1 d P A 2
H32B H 0.6281 0.4770 -0.0178 0.117 Uiso 0.502(9) 1 calc PR A 2
C33' C 0.758(2) 0.4091(15) -0.0688(8) 0.099(5) Uani 0.502(9) 1 d P A 2
H33B H 0.7129 0.4494 -0.1116 0.119 Uiso 0.502(9) 1 calc PR A 2
C34' C 0.8792(17) 0.3339(13) -0.0673(5) 0.088(4) Uani 0.502(9) 1 d P A 2
H34B H 0.9201 0.3239 -0.1085 0.106 Uiso 0.502(9) 1 calc PR A 2
C35' C 0.9403(13) 0.2726(10) -0.0032(4) 0.068(3) Uani 0.502(9) 1 d P A 2
H35B H 1.0230 0.2207 -0.0016 0.082 Uiso 0.502(9) 1 calc PR A 2

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 0.05890(11) 0.05823(11) 0.04023(9) -0.00090(6) 0.01866(6) 0.00690(7)
Sb2 0.06172(17) 0.05502(17) 0.05276(15) -0.00155(11) 0.01200(12) -0.00132(12)
P1 0.0549(5) 0.0577(6) 0.0391(4) -0.0017(4) 0.0160(4) 0.0060(4)
F1 0.101(3) 0.094(3) 0.119(3) -0.002(2) -0.037(2) -0.017(2)
F2 0.207(6) 0.297(9) 0.130(4) -0.083(5) 0.096(4) -0.004(6)
F3 0.072(2) 0.142(4) 0.176(4) -0.040(3) 0.003(2) -0.025(2)
F4 0.134(4) 0.229(7) 0.166(4) -0.100(5) 0.062(4) 0.001(4)
F5 0.132(4) 0.118(3) 0.180(5) 0.073(3) -0.005(3) 0.009(3)
F6 0.149(5) 0.141(5) 0.380(11) 0.177(6) -0.046(6) -0.038(4)
N1 0.0530(16) 0.0536(18) 0.0382(13) 0.0006(12) 0.0172(12) 0.0022(13)
N2 0.0554(17) 0.0488(17) 0.0458(15) 0.0000(12) 0.0195(13) -0.0013(13)
N3 0.0563(18) 0.0529(18) 0.0466(15) -0.0003(13) 0.0172(13) 0.0012(14)
C1 0.0508(19) 0.059(2) 0.0369(15) 0.0029(14) 0.0111(14) 0.0079(16)
C2 0.057(2) 0.060(2) 0.0443(17) 0.0047(15) 0.0230(16) 0.0040(17)
C3 0.0493(18) 0.0494(19) 0.0380(15) 0.0042(13) 0.0100(13) 0.0087(15)
C4 0.0475(18) 0.053(2) 0.0427(16) 0.0045(14) 0.0115(14) 0.0074(15)
C5 0.069(3) 0.068(3) 0.048(2) -0.0017(18) 0.0172(18) -0.008(2)
C6 0.081(3) 0.067(3) 0.069(3) -0.015(2) 0.028(2) -0.013(2)
C7 0.069(3) 0.061(3) 0.083(3) 0.006(2) 0.024(2) -0.004(2)
C8 0.063(2) 0.067(3) 0.053(2) 0.0108(19) 0.0170(18) -0.001(2)
C9 0.056(2) 0.054(2) 0.0462(18) 0.0021(15) 0.0122(15) 0.0017(16)
C10 0.0533(19) 0.055(2) 0.0386(15) 0.0023(14) 0.0180(14) 0.0053(16)
C11 0.0467(18) 0.054(2) 0.0405(16) 0.0031(14) 0.0090(13) 0.0085(15)
C12 0.0497(18) 0.052(2) 0.0397(15) 0.0025(14) 0.0100(14) 0.0085(15)
C13 0.065(2) 0.059(2) 0.0493(19) 0.0037(17) 0.0162(17) 0.0081(19)
C14 0.090(3) 0.056(2) 0.057(2) -0.0046(19) 0.005(2) 0.007(2)
C15 0.087(3) 0.082(3) 0.048(2) -0.007(2) 0.008(2) 0.035(3)
C16 0.084(3) 0.106(4) 0.052(2) -0.007(2) 0.029(2) 0.021(3)
C17 0.064(3) 0.082(3) 0.058(2) -0.004(2) 0.025(2) 0.004(2)
C18 0.045(4) 0.054(6) 0.042(5) -0.002(4) 0.008(4) 0.009(4)
C19 0.051(6) 0.062(8) 0.039(7) 0.008(6) 0.015(6) 0.002(5)
C20 0.034(9) 0.068(10) 0.071(12) -0.006(8) 0.010(8) -0.007(9)
C21 0.053(5) 0.078(7) 0.090(7) 0.009(5) 0.034(5) 0.007(4)
C22 0.071(6) 0.110(9) 0.072(6) -0.006(6) 0.044(5) -0.001(6)
C23 0.058(5) 0.096(7) 0.050(4) -0.012(4) 0.025(4) 0.002(5)
C18' 0.064(5) 0.058(6) 0.035(4) 0.001(4) 0.008(3) 0.010(4)
C19' 0.056(4) 0.054(4) 0.058(4) 0.001(3) 0.019(3) 0.010(3)
C20' 0.081(6) 0.082(7) 0.074(6) 0.012(5) 0.028(5) 0.032(6)
C21' 0.052(5) 0.117(10) 0.072(6) 0.007(6) 0.015(4) 0.014(5)
C22' 0.042(10) 0.096(18) 0.073(9) -0.010(9) -0.005(7) -0.015(9)
C23' 0.082(11) 0.054(7) 0.053(9) 0.008(7) 0.030(10) 0.007(6)
C24 0.065(6) 0.060(5) 0.041(4) 0.001(3) 0.008(4) 0.010(5)
C25 0.071(9) 0.073(8) 0.060(8) -0.001(6) 0.019(6) -0.006(6)
C26 0.105(16) 0.078(15) 0.106(16) -0.012(10) 0.045(13) 0.020(12)
C27 0.098(8) 0.074(7) 0.082(7) 0.001(5) 0.011(6) 0.007(6)
C28 0.135(12) 0.073(7) 0.066(6) -0.001(5) 0.021(7) -0.005(8)
C29 0.083(6) 0.065(6) 0.061(5) -0.006(4) 0.014(4) 0.012(5)
C24' 0.068(6) 0.044(4) 0.049(5) 0.003(3) 0.022(5) 0.009(4)
C25' 0.062(7) 0.068(7) 0.047(6) 0.008(5) 0.011(4) -0.003(5)
C26' 0.092(14) 0.083(18) 0.070(10) 0.021(11) 0.014(9) -0.037(13)
C27' 0.099(8) 0.068(6) 0.099(8) -0.004(6) 0.046(7) -0.011(6)
C28' 0.109(9) 0.083(7) 0.069(6) -0.023(5) 0.021(6) -0.025(6)
C29' 0.084(6) 0.071(6) 0.053(4) -0.011(4) 0.020(4) -0.003(5)
C30 0.043(6) 0.069(9) 0.044(4) 0.001(4) 0.021(4) -0.002(6)
C31 0.084(12) 0.071(8) 0.066(7) 0.028(5) 0.009(8) -0.005(8)
C32 0.129(17) 0.08(2) 0.098(15) -0.008(11) 0.017(11) 0.023(14)
C33 0.097(10) 0.136(14) 0.059(7) 0.034(8) 0.014(6) 0.024(10)
C34 0.086(8) 0.145(13) 0.050(5) -0.029(6) 0.000(5) 0.016(8)
C35 0.064(5) 0.092(7) 0.054(4) -0.016(4) 0.013(4) 0.008(5)
C30' 0.055(7) 0.056(7) 0.048(5) 0.002(4) 0.012(5) -0.006(6)
C31' 0.082(12) 0.090(13) 0.075(7) 0.025(8) 0.026(8) 0.027(9)
C32' 0.152(19) 0.071(17) 0.062(12) 0.021(12) -0.007(12) 0.044(13)
C33' 0.126(13) 0.085(9) 0.073(8) 0.026(7) -0.017(8) 0.011(9)
C34' 0.117(10) 0.090(8) 0.051(5) 0.003(5) 0.006(5) -0.018(7)
C35' 0.099(7) 0.064(5) 0.041(4) 0.005(3) 0.015(4) 0.008(5)

_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 2.051(3) . ?
Au1 P1 2.2841(9) . ?
Sb2 F6 1.798(4) . ?
Sb2 F2 1.823(4) . ?
Sb2 F4 1.831(4) . ?
Sb2 F3 1.852(4) . ?
Sb2 F1 1.852(3) . ?
Sb2 F5 1.855(4) . ?
P1 C18' 1.791(7) . ?
P1 C24 1.809(7) . ?
P1 C30 1.810(8) . ?
P1 C30' 1.818(8) . ?
P1 C24' 1.843(7) . ?
P1 C18 1.851(7) . ?
N1 N2 1.362(4) . ?
N1 C3 1.364(5) . ?
N1 C10 1.467(4) . ?
N2 C2 1.340(4) . ?
N2 N3 1.382(4) . ?
N3 C11 1.293(5) . ?
C1 C2 1.389(6) . ?
C1 C3 1.410(5) . ?
C3 C4 1.455(5) . ?
C4 C9 1.399(5) . ?
C4 C5 1.405(5) . ?
C5 C6 1.370(7) . ?
C6 C7 1.392(7) . ?
C7 C8 1.380(7) . ?
C8 C9 1.383(6) . ?
C10 C11 1.510(6) . ?
C11 C12 1.465(5) . ?
C12 C17 1.377(5) . ?
C12 C13 1.380(6) . ?
C13 C14 1.387(6) . ?
C14 C15 1.365(7) . ?
C15 C16 1.383(9) . ?
C16 C17 1.387(6) . ?
C18 C23 1.392(12) . ?
C18 C19 1.40(2) . ?
C19 C20 1.44(4) . ?
C20 C21 1.42(4) . ?
C21 C22 1.354(16) . ?
C22 C23 1.385(13) . ?
C18' C19' 1.369(13) . ?
C18' C23' 1.40(3) . ?
C19' C20' 1.373(12) . ?
C20' C21' 1.414(17) . ?
C21' C22' 1.35(4) . ?
C22' C23' 1.35(4) . ?
C24 C29 1.367(14) . ?
C24 C25 1.401(19) . ?
C25 C26 1.44(4) . ?
C26 C28 1.47(3) . ?
C27 C29 1.389(16) . ?
C27 C28 1.40(2) . ?
C24' C25' 1.387(16) . ?
C24' C29' 1.428(13) . ?
C25' C26' 1.40(3) . ?
C26' C27' 1.27(3) . ?
C27' C28' 1.315(17) . ?
C28' C29' 1.409(16) . ?
C30 C31 1.35(3) . ?
C30 C35 1.39(2) . ?
C31 C32 1.44(4) . ?
C32 C33 1.42(4) . ?
C33 C34 1.42(2) . ?
C34 C35 1.343(16) . ?
C30' C35' 1.371(18) . ?
C30' C31' 1.39(3) . ?
C31' C32' 1.43(3) . ?
C32' C33' 1.21(4) . ?
C33' C34' 1.36(2) . ?
C34' C35' 1.383(14) . ?

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 177.65(10) . . ?
F6 Sb2 F2 93.0(5) . . ?
F6 Sb2 F4 90.9(5) . . ?
F2 Sb2 F4 175.9(4) . . ?
F6 Sb2 F3 91.2(3) . . ?
F2 Sb2 F3 87.5(3) . . ?
F4 Sb2 F3 91.0(2) . . ?
F6 Sb2 F1 87.9(2) . . ?
F2 Sb2 F1 93.2(3) . . ?
F4 Sb2 F1 88.4(2) . . ?
F3 Sb2 F1 178.9(2) . . ?
F6 Sb2 F5 177.3(3) . . ?
F2 Sb2 F5 88.5(3) . . ?
F4 Sb2 F5 87.7(3) . . ?
F3 Sb2 F5 91.2(2) . . ?
F1 Sb2 F5 89.7(2) . . ?
C18' P1 C24 86.3(5) . . ?
C18' P1 C30 119.9(5) . . ?
C24 P1 C30 109.9(7) . . ?
C18' P1 C30' 107.5(6) . . ?
C24 P1 C30' 120.3(7) . . ?
C30 P1 C30' 15.3(5) . . ?
C18' P1 C24' 106.0(5) . . ?
C24 P1 C24' 22.6(3) . . ?
C30 P1 C24' 90.1(6) . . ?
C30' P1 C24' 102.9(6) . . ?
C18' P1 C18 20.8(3) . . ?
C24 P1 C18 104.5(5) . . ?
C30 P1 C18 103.2(5) . . ?
C30' P1 C18 89.2(6) . . ?
C24' P1 C18 121.2(5) . . ?
C18' P1 Au1 114.4(3) . . ?
C24 P1 Au1 112.3(3) . . ?
C30 P1 Au1 111.4(6) . . ?
C30' P1 Au1 113.1(6) . . ?
C24' P1 Au1 112.1(3) . . ?
C18 P1 Au1 115.0(3) . . ?
N2 N1 C3 108.5(3) . . ?
N2 N1 C10 106.7(3) . . ?
C3 N1 C10 144.0(3) . . ?
C2 N2 N1 109.5(3) . . ?
C2 N2 N3 136.5(3) . . ?
N1 N2 N3 113.9(3) . . ?
C11 N3 N2 105.5(3) . . ?
C2 C1 C3 106.4(3) . . ?
C2 C1 Au1 125.0(3) . . ?
C3 C1 Au1 128.6(3) . . ?
N2 C2 C1 108.4(3) . . ?
N1 C3 C1 107.2(3) . . ?
N1 C3 C4 121.7(3) . . ?
C1 C3 C4 130.9(3) . . ?
C9 C4 C5 117.6(4) . . ?
C9 C4 C3 122.3(3) . . ?
C5 C4 C3 119.9(3) . . ?
C6 C5 C4 121.3(4) . . ?
C5 C6 C7 120.4(4) . . ?
C8 C7 C6 119.0(5) . . ?
C7 C8 C9 121.0(4) . . ?
C8 C9 C4 120.6(4) . . ?
N1 C10 C11 99.9(3) . . ?
N3 C11 C12 122.3(4) . . ?
N3 C11 C10 113.7(3) . . ?
C12 C11 C10 124.0(3) . . ?
C17 C12 C13 119.6(4) . . ?
C17 C12 C11 120.2(4) . . ?
C13 C12 C11 120.2(3) . . ?
C12 C13 C14 120.3(4) . . ?
C15 C14 C13 120.2(5) . . ?
C14 C15 C16 119.7(4) . . ?
C15 C16 C17 120.3(5) . . ?
C12 C17 C16 119.8(5) . . ?
C23 C18 C19 118.3(10) . . ?
C23 C18 P1 122.8(7) . . ?
C19 C18 P1 118.9(9) . . ?
C18 C19 C20 121.9(18) . . ?
C21 C20 C19 116(2) . . ?
C22 C21 C20 122.3(14) . . ?
C21 C22 C23 120.6(8) . . ?
C22 C23 C18 121.2(9) . . ?
C19' C18' C23' 121.9(11) . . ?
C19' C18' P1 123.4(8) . . ?
C23' C18' P1 114.6(11) . . ?
C18' C19' C20' 120.0(9) . . ?
C19' C20' C21' 119.2(9) . . ?
C22' C21' C20' 117.2(16) . . ?
C23' C22' C21' 126(3) . . ?
C22' C23' C18' 116(2) . . ?
C29 C24 C25 121.1(10) . . ?
C29 C24 P1 124.4(9) . . ?
C25 C24 P1 114.5(9) . . ?
C24 C25 C26 122.5(19) . . ?
C25 C26 C28 113(3) . . ?
C29 C27 C28 120.1(12) . . ?
C27 C28 C26 122.6(19) . . ?
C24 C29 C27 120.1(11) . . ?
C25' C24' C29' 115.5(9) . . ?
C25' C24' P1 120.9(9) . . ?
C29' C24' P1 123.6(7) . . ?
C24' C25' C26' 116.7(14) . . ?
C27' C26' C25' 127.2(17) . . ?
C26' C27' C28' 116.5(13) . . ?
C27' C28' C29' 121.9(10) . . ?
C28' C29' C24' 119.9(9) . . ?
C31 C30 C35 118.1(12) . . ?
C31 C30 P1 120.3(14) . . ?
C35 C30 P1 121.6(12) . . ?
C30 C31 C32 128(2) . . ?
C33 C32 C31 109(3) . . ?
C32 C33 C34 124.4(18) . . ?
C35 C34 C33 119.9(12) . . ?
C34 C35 C30 120.0(12) . . ?
C35' C30' C31' 119.1(11) . . ?
C35' C30' P1 122.8(11) . . ?
C31' C30' P1 118.1(13) . . ?
C30' C31' C32' 113(2) . . ?
C33' C32' C31' 129(3) . . ?
C32' C33' C34' 119.1(17) . . ?
C33' C34' C35' 118.7(12) . . ?
C30' C35' C34' 121.2(11) . . ?

_diffrn_measured_fraction_theta_max 0.960
_diffrn_reflns_theta_full        27.55
_diffrn_measured_fraction_theta_full 0.960
_refine_diff_density_max         1.314
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.116