Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2007

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Mariano Laguna'
_publ_contact_author_address     
;
Departamento de Quimica Inorganica
Instituto de Ciencia de Materiales de Aragon. Universidad de Zaragoza
Pza. S. Francisco
Zaragoza
50009
SPAIN
;

_publ_contact_author_email       MLAGUNA@UNIZAR.ES

_publ_section_title              
;
Alkynethiolate gold(I) complexes. Preparation of a metallopolymer
;
loop_
_publ_author_name
'Mariano Laguna'
'Elena Cerrada'
'Nora Lardies'
'Incencio Romeo'
'Peter Skabara'

data_elc2
_database_code_depnum_ccdc_archive 'CCDC 650741'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H88 Au2 P2 S2'
_chemical_formula_weight         1257.24

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'
P P 0.1023 0.0942 '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'
Au Au -2.0133 8.8022 '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                   9.382(5)
_cell_length_b                   11.292(5)
_cell_length_c                   12.643(5)
_cell_angle_alpha                81.910(5)
_cell_angle_beta                 68.730(5)
_cell_angle_gamma                66.010(5)
_cell_volume                     1140.3(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    36
_cell_measurement_theta_min      25
_cell_measurement_theta_max      40

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.27
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             632
_exptl_absorpt_coefficient_mu    6.626
_exptl_absorpt_correction_type   Psi-scans
_exptl_absorpt_correction_T_min  0.219
_exptl_absorpt_correction_T_max  0.304
_exptl_absorpt_process_details   ?

_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  'four-circle diffractometer'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         3
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4828
_diffrn_reflns_av_R_equivalents  0.0153
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4019
_reflns_number_gt                3584
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'XSCANS v. 2.1 (Siemens)'
_computing_cell_refinement       'XSCANS v. 2.1 (Siemens)'
_computing_data_reduction        'XSCANS v. 2.1 (Siemens)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 5 (Siemens)'
_computing_publication_material  'WinGX v1.10.01'

_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^)+(0.0265P)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4019
_refine_ls_number_parameters     272
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0197
_refine_ls_wR_factor_ref         0.0472
_refine_ls_wR_factor_gt          0.0465
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_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 0.18630(2) 0.268507(14) 0.037213(12) 0.02321(6) Uani 1 1 d . . .
P1 P 0.15697(13) 0.10728(9) 0.16106(8) 0.0223(2) Uani 1 1 d . . .
S1 S 0.19632(13) 0.43596(10) -0.09031(9) 0.0303(2) Uani 1 1 d . . .
C1 C -0.0373(5) 0.1577(4) 0.2799(3) 0.0241(8) Uani 1 1 d . . .
C2 C -0.1625(5) 0.2775(4) 0.2788(3) 0.0291(9) Uani 1 1 d . . .
H2 H -0.1465 0.3327 0.2177 0.035 Uiso 1 1 calc R . .
C3 C -0.3122(5) 0.3155(4) 0.3691(4) 0.0352(10) Uani 1 1 d . . .
H3 H -0.3953 0.3963 0.3684 0.042 Uiso 1 1 calc R . .
C4 C -0.3373(5) 0.2339(4) 0.4592(3) 0.0340(10) Uani 1 1 d . . .
H4 H -0.4373 0.2594 0.5193 0.041 Uiso 1 1 calc R . .
C5 C -0.2130(5) 0.1133(4) 0.4605(3) 0.0311(9) Uani 1 1 d . . .
H5 H -0.2306 0.0577 0.5211 0.037 Uiso 1 1 calc R . .
C6 C -0.0634(5) 0.0754(4) 0.3722(3) 0.0282(9) Uani 1 1 d . . .
H6 H 0.0200 -0.0048 0.3741 0.034 Uiso 1 1 calc R . .
C7 C 0.1682(5) -0.0316(3) 0.0962(3) 0.0239(8) Uani 1 1 d . . .
C8 C 0.0448(5) -0.0812(4) 0.1361(3) 0.0307(9) Uani 1 1 d . . .
H8 H -0.0505 -0.0413 0.1969 0.037 Uiso 1 1 calc R . .
C9 C 0.0639(6) -0.1901(4) 0.0852(4) 0.0389(11) Uani 1 1 d . . .
H9 H -0.0191 -0.2228 0.1120 0.047 Uiso 1 1 calc R . .
C10 C 0.2036(6) -0.2502(4) -0.0042(4) 0.0413(12) Uani 1 1 d . . .
H10 H 0.2166 -0.3250 -0.0360 0.050 Uiso 1 1 calc R . .
C11 C 0.3241(6) -0.2006(4) -0.0469(4) 0.0436(12) Uani 1 1 d . . .
H11 H 0.4171 -0.2405 -0.1091 0.052 Uiso 1 1 calc R . .
C12 C 0.3088(6) -0.0908(4) 0.0018(3) 0.0361(10) Uani 1 1 d . . .
H12 H 0.3908 -0.0572 -0.0277 0.043 Uiso 1 1 calc R . .
C13 C 0.3183(5) 0.0457(3) 0.2271(3) 0.0232(8) Uani 1 1 d . . .
C14 C 0.4288(5) -0.0828(4) 0.2193(3) 0.0268(9) Uani 1 1 d . . .
H14 H 0.4193 -0.1437 0.1828 0.032 Uiso 1 1 calc R . .
C15 C 0.5535(5) -0.1199(4) 0.2660(3) 0.0348(10) Uani 1 1 d . . .
H15 H 0.6290 -0.2055 0.2590 0.042 Uiso 1 1 calc R . .
C16 C 0.5664(5) -0.0310(5) 0.3227(4) 0.0389(11) Uani 1 1 d . . .
H16 H 0.6496 -0.0569 0.3544 0.047 Uiso 1 1 calc R . .
C17 C 0.4548(6) 0.0974(5) 0.3326(4) 0.0420(11) Uani 1 1 d . . .
H17 H 0.4626 0.1573 0.3715 0.050 Uiso 1 1 calc R . .
C18 C 0.3330(5) 0.1354(4) 0.2845(4) 0.0340(10) Uani 1 1 d . . .
H18 H 0.2597 0.2216 0.2900 0.041 Uiso 1 1 calc R . .
C19 C 0.3963(5) 0.4193(4) -0.1459(3) 0.0276(9) Uani 1 1 d . . .
C20 C 0.5347(5) 0.4169(4) -0.1921(3) 0.0307(9) Uani 1 1 d . . .
C21 C 0.7007(5) 0.4121(4) -0.2495(3) 0.0276(9) Uani 1 1 d . . .
C22 C 0.7629(5) 0.4870(4) -0.2142(4) 0.0352(10) Uani 1 1 d . . .
H22 H 0.6962 0.5411 -0.1511 0.042 Uiso 1 1 calc R . .
C23 C 0.9221(6) 0.4820(4) -0.2715(4) 0.0391(11) Uani 1 1 d . . .
H23 H 0.9596 0.5343 -0.2472 0.047 Uiso 1 1 calc R . .
C24 C 1.0273(5) 0.4002(4) -0.3649(4) 0.0360(10) Uani 1 1 d . . .
C25 C 0.9671(6) 0.3235(4) -0.3988(4) 0.0391(11) Uani 1 1 d . . .
H25 H 1.0354 0.2673 -0.4603 0.047 Uiso 1 1 calc R . .
C26 C 0.8073(6) 0.3294(4) -0.3427(4) 0.0355(10) Uani 1 1 d . . .
H26 H 0.7701 0.2773 -0.3674 0.043 Uiso 1 1 calc R . .
C27 C 1.2004(6) 0.3967(5) -0.4275(4) 0.0527(14) Uani 1 1 d . . .
H27A H 1.2010 0.4488 -0.4945 0.079 Uiso 1 1 calc R . .
H27B H 1.2757 0.3089 -0.4487 0.079 Uiso 1 1 calc R . .
H27C H 1.2342 0.4302 -0.3792 0.079 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 0.02523(9) 0.02042(8) 0.02288(8) 0.00191(5) -0.00376(6) -0.01210(6)
P1 0.0249(6) 0.0205(5) 0.0210(5) 0.0012(4) -0.0040(4) -0.0118(4)
S1 0.0262(6) 0.0249(5) 0.0370(6) 0.0098(4) -0.0076(5) -0.0128(4)
C1 0.027(2) 0.027(2) 0.0224(19) 0.0009(15) -0.0091(17) -0.0134(18)
C2 0.031(2) 0.029(2) 0.027(2) 0.0017(16) -0.0075(18) -0.0137(19)
C3 0.026(2) 0.035(2) 0.040(2) -0.0008(19) -0.011(2) -0.0084(19)
C4 0.023(2) 0.052(3) 0.026(2) -0.0045(19) -0.0031(18) -0.016(2)
C5 0.030(2) 0.045(2) 0.024(2) 0.0070(17) -0.0095(18) -0.022(2)
C6 0.028(2) 0.032(2) 0.024(2) 0.0010(16) -0.0070(17) -0.0127(18)
C7 0.030(2) 0.0208(19) 0.0214(19) 0.0018(15) -0.0094(17) -0.0098(17)
C8 0.033(2) 0.034(2) 0.032(2) 0.0043(17) -0.0142(19) -0.017(2)
C9 0.054(3) 0.038(2) 0.042(3) 0.008(2) -0.025(2) -0.029(2)
C10 0.065(4) 0.028(2) 0.039(2) -0.0021(19) -0.027(3) -0.018(2)
C11 0.046(3) 0.041(3) 0.035(2) -0.008(2) -0.011(2) -0.008(2)
C12 0.041(3) 0.036(2) 0.030(2) -0.0039(18) -0.002(2) -0.020(2)
C13 0.025(2) 0.0256(19) 0.0199(18) 0.0026(15) -0.0034(16) -0.0145(17)
C14 0.030(2) 0.025(2) 0.0225(19) -0.0007(15) -0.0039(17) -0.0119(18)
C15 0.029(2) 0.037(2) 0.026(2) 0.0002(18) -0.0039(18) -0.005(2)
C16 0.027(2) 0.054(3) 0.035(2) 0.005(2) -0.009(2) -0.017(2)
C17 0.049(3) 0.047(3) 0.046(3) 0.000(2) -0.020(2) -0.030(2)
C18 0.036(3) 0.027(2) 0.041(2) -0.0004(18) -0.014(2) -0.0129(19)
C19 0.033(3) 0.021(2) 0.029(2) 0.0060(16) -0.0121(19) -0.0117(18)
C20 0.034(3) 0.025(2) 0.034(2) 0.0060(17) -0.011(2) -0.0146(19)
C21 0.025(2) 0.026(2) 0.029(2) 0.0052(16) -0.0099(18) -0.0087(18)
C22 0.029(2) 0.030(2) 0.041(2) -0.0066(19) -0.006(2) -0.0086(19)
C23 0.034(3) 0.034(2) 0.058(3) -0.002(2) -0.017(2) -0.020(2)
C24 0.025(2) 0.037(2) 0.041(3) 0.014(2) -0.012(2) -0.011(2)
C25 0.034(3) 0.043(3) 0.034(2) -0.0011(19) -0.006(2) -0.013(2)
C26 0.040(3) 0.034(2) 0.039(2) 0.0006(19) -0.015(2) -0.019(2)
C27 0.025(3) 0.062(3) 0.063(3) 0.018(3) -0.012(2) -0.017(2)

_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 P1 2.2659(12) . ?
Au1 S1 2.3152(12) . ?
P1 C7 1.818(4) . ?
P1 C1 1.820(4) . ?
P1 C13 1.836(4) . ?
S1 C19 1.686(4) . ?
C1 C2 1.388(5) . ?
C1 C6 1.399(5) . ?
C2 C3 1.395(6) . ?
C3 C4 1.374(6) . ?
C4 C5 1.390(6) . ?
C5 C6 1.381(6) . ?
C7 C8 1.391(6) . ?
C7 C12 1.406(6) . ?
C8 C9 1.386(6) . ?
C9 C10 1.369(7) . ?
C10 C11 1.367(7) . ?
C11 C12 1.395(6) . ?
C13 C14 1.390(5) . ?
C13 C18 1.402(5) . ?
C14 C15 1.388(6) . ?
C15 C16 1.378(6) . ?
C16 C17 1.392(6) . ?
C17 C18 1.376(6) . ?
C19 C20 1.205(6) . ?
C20 C21 1.442(6) . ?
C21 C22 1.397(6) . ?
C21 C26 1.398(6) . ?
C22 C23 1.385(6) . ?
C23 C24 1.393(6) . ?
C24 C25 1.389(6) . ?
C24 C27 1.513(6) . ?
C25 C26 1.384(6) . ?

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
P1 Au1 S1 175.50(4) . . ?
C7 P1 C1 106.28(18) . . ?
C7 P1 C13 106.56(17) . . ?
C1 P1 C13 104.57(17) . . ?
C7 P1 Au1 113.54(12) . . ?
C1 P1 Au1 113.72(13) . . ?
C13 P1 Au1 111.50(12) . . ?
C19 S1 Au1 106.72(13) . . ?
C2 C1 C6 119.3(4) . . ?
C2 C1 P1 120.1(3) . . ?
C6 C1 P1 120.6(3) . . ?
C1 C2 C3 120.2(4) . . ?
C4 C3 C2 120.2(4) . . ?
C3 C4 C5 119.9(4) . . ?
C6 C5 C4 120.3(4) . . ?
C5 C6 C1 120.1(4) . . ?
C8 C7 C12 119.1(4) . . ?
C8 C7 P1 122.9(3) . . ?
C12 C7 P1 118.0(3) . . ?
C9 C8 C7 119.9(4) . . ?
C10 C9 C8 120.8(4) . . ?
C11 C10 C9 120.2(4) . . ?
C10 C11 C12 120.6(4) . . ?
C11 C12 C7 119.3(4) . . ?
C14 C13 C18 119.1(4) . . ?
C14 C13 P1 123.5(3) . . ?
C18 C13 P1 117.4(3) . . ?
C15 C14 C13 119.9(4) . . ?
C16 C15 C14 120.5(4) . . ?
C15 C16 C17 120.1(4) . . ?
C18 C17 C16 119.7(4) . . ?
C17 C18 C13 120.7(4) . . ?
C20 C19 S1 173.9(4) . . ?
C19 C20 C21 178.6(5) . . ?
C22 C21 C26 117.3(4) . . ?
C22 C21 C20 122.1(4) . . ?
C26 C21 C20 120.6(4) . . ?
C23 C22 C21 121.1(4) . . ?
C22 C23 C24 121.3(4) . . ?
C25 C24 C23 117.7(4) . . ?
C25 C24 C27 121.4(4) . . ?
C23 C24 C27 120.8(4) . . ?
C26 C25 C24 121.1(4) . . ?
C25 C26 C21 121.4(4) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.924
_refine_diff_density_rms         0.165

#===END

# Data for compound 11

data_compound11
_database_code_depnum_ccdc_archive 'CCDC 650742'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51 H37 Au F5 N P2 S'
_chemical_formula_weight         1049.78

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'
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'
S S 0.1246 0.1234 '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   P2(1)/n

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

_cell_length_a                   9.759(4)
_cell_length_b                   23.066(12)
_cell_length_c                   19.794(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.25(5)
_cell_angle_gamma                90.00
_cell_volume                     4385(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.847
_cell_measurement_theta_max      22.921

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.064
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2080
_exptl_absorpt_coefficient_mu    3.534
_exptl_absorpt_correction_type   'multi-scan correction'
_exptl_absorpt_correction_T_min  0.7152
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
(Sheldrick, M. SADABS empirical absorption program,
University of Gottingen, 1996)
;

_diffrn_ambient_temperature      273(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            26877
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0640
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.37
_diffrn_reflns_theta_max         27.03
_reflns_number_total             9519
_reflns_number_gt                7038
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'BRUKER SMART'
_computing_cell_refinement       'BRUKER SMART'
_computing_data_reduction        'BRUKER SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'BRUKER SHELXTL'
_computing_publication_material  'CIFTAB (Sheldrick, 1197)'

_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^)+(0.0455P)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9519
_refine_ls_number_parameters     551
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.1018
_refine_ls_wR_factor_gt          0.0864
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.002
_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 1.117042(19) 0.098110(8) 0.708703(10) 0.02409(7) Uani 1 1 d . . .
S1 S 1.25807(14) 0.12400(6) 0.63125(7) 0.0292(3) Uani 1 1 d . . .
P1 P 1.00586(12) 0.29926(5) 0.91416(6) 0.0178(3) Uani 1 1 d . . .
P2 P 0.77391(12) 0.36428(5) 0.83051(6) 0.0183(3) Uani 1 1 d . . .
N2 N 0.8580(4) 0.32847(17) 0.89160(19) 0.0200(9) Uani 1 1 d . . .
F1 F 1.1329(3) -0.00697(13) 0.81712(15) 0.0356(7) Uani 1 1 d . . .
F2 F 0.9522(4) -0.04371(14) 0.89509(16) 0.0455(9) Uani 1 1 d . . .
F3 F 0.7130(3) 0.01455(14) 0.89790(15) 0.0428(8) Uani 1 1 d . . .
F4 F 0.6539(3) 0.11173(13) 0.82032(16) 0.0366(8) Uani 1 1 d . . .
F5 F 0.8294(3) 0.14797(12) 0.73910(14) 0.0286(7) Uani 1 1 d . . .
C1 C 1.1664(5) 0.1790(2) 0.5891(2) 0.0244(11) Uani 1 1 d . . .
C2 C 1.1043(5) 0.2174(2) 0.5590(2) 0.0211(11) Uani 1 1 d . . .
C3 C 1.0323(5) 0.2659(2) 0.5202(2) 0.0253(11) Uani 1 1 d . . .
C4 C 0.9985(5) 0.2651(2) 0.4492(3) 0.0297(12) Uani 1 1 d . . .
H4 H 1.0130 0.2315 0.4256 0.036 Uiso 1 1 calc R . .
C5 C 0.9437(5) 0.3133(3) 0.4127(3) 0.0349(14) Uani 1 1 d . . .
H5 H 0.9224 0.3116 0.3651 0.042 Uiso 1 1 calc R . .
C6 C 0.9200(5) 0.3640(3) 0.4460(3) 0.0343(14) Uani 1 1 d . . .
C7 C 0.8663(6) 0.4171(3) 0.4059(3) 0.0415(15) Uani 1 1 d . . .
H7A H 0.9418 0.4363 0.3899 0.062 Uiso 1 1 calc R . .
H7B H 0.8258 0.4430 0.4349 0.062 Uiso 1 1 calc R . .
H7C H 0.7970 0.4061 0.3673 0.062 Uiso 1 1 calc R . .
C8 C 0.9455(5) 0.3642(2) 0.5175(3) 0.0343(13) Uani 1 1 d . . .
H8 H 0.9245 0.3970 0.5409 0.041 Uiso 1 1 calc R . .
C9 C 1.0014(5) 0.3165(2) 0.5539(3) 0.0302(12) Uani 1 1 d . . .
H9 H 1.0191 0.3178 0.6016 0.036 Uiso 1 1 calc R . .
C10 C 0.9897(5) 0.0720(2) 0.7740(2) 0.0220(11) Uani 1 1 d . . .
C11 C 0.8648(5) 0.0999(2) 0.7782(2) 0.0230(11) Uani 1 1 d . . .
C12 C 0.7728(5) 0.0824(2) 0.8186(3) 0.0268(12) Uani 1 1 d . . .
C13 C 0.8020(5) 0.0329(2) 0.8577(3) 0.0293(12) Uani 1 1 d . . .
C14 C 0.9230(6) 0.0042(2) 0.8564(3) 0.0299(12) Uani 1 1 d . . .
C15 C 1.0137(6) 0.0240(2) 0.8153(3) 0.0305(12) Uani 1 1 d . . .
C16 C 0.6924(5) 0.3191(2) 0.7615(2) 0.0201(10) Uani 1 1 d . . .
C17 C 0.6482(5) 0.2642(2) 0.7765(2) 0.0224(11) Uani 1 1 d . . .
H17 H 0.6683 0.2506 0.8214 0.027 Uiso 1 1 calc R . .
C18 C 0.5748(5) 0.2295(2) 0.7259(2) 0.0246(11) Uani 1 1 d . . .
H18 H 0.5459 0.1928 0.7367 0.030 Uiso 1 1 calc R . .
C19 C 0.5449(5) 0.2493(2) 0.6596(3) 0.0300(12) Uani 1 1 d . . .
H19 H 0.4940 0.2263 0.6255 0.036 Uiso 1 1 calc R . .
C20 C 0.5901(6) 0.3035(2) 0.6433(3) 0.0336(13) Uani 1 1 d . . .
H20 H 0.5727 0.3162 0.5980 0.040 Uiso 1 1 calc R . .
C21 C 0.6613(5) 0.3392(2) 0.6942(3) 0.0283(12) Uani 1 1 d . . .
H21 H 0.6881 0.3763 0.6834 0.034 Uiso 1 1 calc R . .
C22 C 0.8734(4) 0.4188(2) 0.7957(2) 0.0189(10) Uani 1 1 d . . .
C23 C 0.9633(5) 0.4042(2) 0.7501(3) 0.0267(11) Uani 1 1 d . . .
H23 H 0.9639 0.3667 0.7330 0.032 Uiso 1 1 calc R . .
C24 C 1.0512(5) 0.4461(2) 0.7308(3) 0.0311(13) Uani 1 1 d . . .
H24 H 1.1106 0.4365 0.7006 0.037 Uiso 1 1 calc R . .
C25 C 1.0508(5) 0.5014(2) 0.7561(3) 0.0345(13) Uani 1 1 d . . .
H25 H 1.1105 0.5290 0.7431 0.041 Uiso 1 1 calc R . .
C26 C 0.9630(5) 0.5165(2) 0.8005(3) 0.0294(12) Uani 1 1 d . . .
H26 H 0.9635 0.5542 0.8172 0.035 Uiso 1 1 calc R . .
C27 C 0.8732(5) 0.4753(2) 0.8204(3) 0.0279(12) Uani 1 1 d . . .
H27 H 0.8134 0.4856 0.8501 0.033 Uiso 1 1 calc R . .
C28 C 0.6378(5) 0.40038(19) 0.8649(2) 0.0197(10) Uani 1 1 d . . .
C29 C 0.5301(5) 0.4274(2) 0.8209(3) 0.0218(10) Uani 1 1 d . . .
H29 H 0.5289 0.4274 0.7738 0.026 Uiso 1 1 calc R . .
C30 C 0.4250(5) 0.4543(2) 0.8472(3) 0.0292(12) Uani 1 1 d . . .
H30 H 0.3530 0.4726 0.8177 0.035 Uiso 1 1 calc R . .
C31 C 0.4260(5) 0.4543(2) 0.9174(3) 0.0299(12) Uani 1 1 d . . .
H31 H 0.3551 0.4726 0.9349 0.036 Uiso 1 1 calc R . .
C32 C 0.5310(5) 0.4273(2) 0.9605(3) 0.0292(12) Uani 1 1 d . . .
H32 H 0.5308 0.4270 1.0074 0.035 Uiso 1 1 calc R . .
C33 C 0.6389(5) 0.4000(2) 0.9350(2) 0.0237(11) Uani 1 1 d . . .
H33 H 0.7106 0.3817 0.9647 0.028 Uiso 1 1 calc R . .
C34 C 1.1012(4) 0.2896(2) 0.8460(2) 0.0181(10) Uani 1 1 d . . .
C35 C 1.2235(5) 0.3185(2) 0.8416(2) 0.0215(10) Uani 1 1 d . . .
H35 H 1.2649 0.3425 0.8771 0.026 Uiso 1 1 calc R . .
C36 C 1.2844(5) 0.3112(2) 0.7830(2) 0.0263(12) Uani 1 1 d . . .
H36 H 1.3672 0.3303 0.7802 0.032 Uiso 1 1 calc R . .
C37 C 1.2240(5) 0.2764(2) 0.7300(2) 0.0258(11) Uani 1 1 d . . .
H37 H 1.2650 0.2724 0.6912 0.031 Uiso 1 1 calc R . .
C38 C 1.1010(5) 0.2471(2) 0.7340(2) 0.0222(11) Uani 1 1 d . . .
H38 H 1.0600 0.2231 0.6983 0.027 Uiso 1 1 calc R . .
C39 C 1.0397(5) 0.2539(2) 0.7918(2) 0.0206(10) Uani 1 1 d . . .
H39 H 0.9572 0.2346 0.7945 0.025 Uiso 1 1 calc R . .
C40 C 0.9784(5) 0.2282(2) 0.9457(2) 0.0206(10) Uani 1 1 d . . .
C41 C 1.0750(5) 0.1838(2) 0.9446(2) 0.0229(11) Uani 1 1 d . . .
H41 H 1.1590 0.1912 0.9302 0.027 Uiso 1 1 calc R . .
C42 C 1.0447(5) 0.1290(2) 0.9650(3) 0.0277(12) Uani 1 1 d . . .
H42 H 1.1092 0.0994 0.9647 0.033 Uiso 1 1 calc R . .
C43 C 0.9208(5) 0.1172(2) 0.9859(2) 0.0256(11) Uani 1 1 d . . .
H43 H 0.9012 0.0798 0.9989 0.031 Uiso 1 1 calc R . .
C44 C 0.8253(5) 0.1612(2) 0.9875(3) 0.0314(13) Uani 1 1 d . . .
H44 H 0.7413 0.1534 1.0016 0.038 Uiso 1 1 calc R . .
C45 C 0.8545(5) 0.2163(2) 0.9682(2) 0.0267(12) Uani 1 1 d . . .
H45 H 0.7909 0.2459 0.9703 0.032 Uiso 1 1 calc R . .
C46 C 1.1089(5) 0.3415(2) 0.9793(2) 0.0202(10) Uani 1 1 d . . .
C47 C 1.2161(5) 0.3175(2) 1.0262(3) 0.0269(12) Uani 1 1 d . . .
H47 H 1.2338 0.2779 1.0252 0.032 Uiso 1 1 calc R . .
C48 C 1.2967(5) 0.3523(3) 1.0746(2) 0.0309(13) Uani 1 1 d . . .
H48 H 1.3678 0.3358 1.1063 0.037 Uiso 1 1 calc R . .
C49 C 1.2732(6) 0.4109(2) 1.0764(3) 0.0339(14) Uani 1 1 d . . .
H49 H 1.3280 0.4340 1.1092 0.041 Uiso 1 1 calc R . .
C50 C 1.1685(6) 0.4354(2) 1.0296(3) 0.0352(13) Uani 1 1 d . . .
H50 H 1.1525 0.4751 1.0304 0.042 Uiso 1 1 calc R . .
C51 C 1.0872(6) 0.4010(2) 0.9815(3) 0.0310(12) Uani 1 1 d . . .
H51 H 1.0165 0.4179 0.9499 0.037 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 0.02353(11) 0.02278(12) 0.02405(12) 0.00027(9) -0.00095(8) 0.00206(9)
S1 0.0270(7) 0.0298(7) 0.0308(7) 0.0024(6) 0.0056(6) 0.0052(6)
P1 0.0164(6) 0.0208(7) 0.0151(6) 0.0006(5) -0.0003(5) 0.0028(5)
P2 0.0169(6) 0.0210(7) 0.0165(6) 0.0010(5) 0.0016(5) 0.0008(5)
N2 0.016(2) 0.025(2) 0.019(2) -0.0008(17) 0.0027(16) 0.0070(17)
F1 0.0359(18) 0.0308(18) 0.0344(18) 0.0007(14) -0.0089(14) 0.0085(14)
F2 0.062(2) 0.035(2) 0.0327(19) 0.0126(15) -0.0080(16) -0.0071(17)
F3 0.046(2) 0.049(2) 0.0329(19) 0.0051(15) 0.0067(15) -0.0155(16)
F4 0.0304(17) 0.045(2) 0.0347(19) -0.0020(14) 0.0065(14) -0.0018(14)
F5 0.0294(16) 0.0257(16) 0.0292(16) 0.0028(13) 0.0006(13) 0.0039(13)
C1 0.023(3) 0.036(3) 0.015(2) -0.004(2) 0.006(2) -0.004(2)
C2 0.015(2) 0.030(3) 0.020(3) -0.008(2) 0.0060(19) -0.007(2)
C3 0.019(3) 0.038(3) 0.020(3) 0.004(2) 0.007(2) -0.004(2)
C4 0.022(3) 0.039(3) 0.029(3) -0.002(2) 0.007(2) -0.005(2)
C5 0.017(3) 0.052(4) 0.034(3) 0.011(3) 0.001(2) -0.006(3)
C6 0.017(3) 0.042(4) 0.043(4) 0.018(3) 0.002(2) -0.004(2)
C7 0.030(3) 0.051(4) 0.046(4) 0.018(3) 0.013(3) 0.003(3)
C8 0.025(3) 0.034(3) 0.045(4) 0.000(3) 0.008(3) 0.006(2)
C9 0.029(3) 0.039(3) 0.024(3) 0.003(2) 0.007(2) 0.002(2)
C10 0.021(3) 0.024(3) 0.016(2) 0.005(2) -0.0076(19) -0.001(2)
C11 0.025(3) 0.023(3) 0.017(3) 0.001(2) -0.005(2) -0.010(2)
C12 0.024(3) 0.027(3) 0.026(3) -0.004(2) -0.005(2) 0.003(2)
C13 0.029(3) 0.037(3) 0.022(3) -0.002(2) 0.003(2) -0.012(2)
C14 0.041(3) 0.022(3) 0.024(3) 0.005(2) 0.000(2) -0.008(2)
C15 0.034(3) 0.026(3) 0.026(3) -0.006(2) -0.010(2) 0.006(2)
C16 0.017(2) 0.023(3) 0.019(3) -0.001(2) 0.0006(19) 0.002(2)
C17 0.020(3) 0.030(3) 0.017(3) 0.004(2) 0.004(2) 0.002(2)
C18 0.019(2) 0.026(3) 0.028(3) -0.007(2) 0.002(2) -0.004(2)
C19 0.022(3) 0.036(3) 0.030(3) -0.010(2) -0.002(2) 0.000(2)
C20 0.041(3) 0.041(4) 0.016(3) -0.004(2) -0.002(2) -0.002(3)
C21 0.028(3) 0.029(3) 0.025(3) 0.004(2) -0.002(2) 0.001(2)
C22 0.015(2) 0.025(3) 0.015(2) 0.006(2) -0.0018(18) 0.0016(19)
C23 0.029(3) 0.027(3) 0.023(3) 0.004(2) 0.001(2) 0.004(2)
C24 0.020(3) 0.037(3) 0.036(3) 0.015(3) 0.003(2) 0.006(2)
C25 0.028(3) 0.039(4) 0.033(3) 0.014(3) -0.002(2) -0.013(3)
C26 0.031(3) 0.024(3) 0.028(3) 0.002(2) -0.011(2) -0.006(2)
C27 0.029(3) 0.028(3) 0.025(3) 0.001(2) -0.001(2) -0.004(2)
C28 0.017(2) 0.015(2) 0.028(3) -0.001(2) 0.008(2) -0.002(2)
C29 0.017(2) 0.025(3) 0.023(3) 0.003(2) 0.002(2) 0.003(2)
C30 0.022(3) 0.019(3) 0.046(3) 0.002(2) 0.006(2) 0.003(2)
C31 0.028(3) 0.021(3) 0.043(3) -0.005(2) 0.013(3) 0.009(2)
C32 0.037(3) 0.033(3) 0.022(3) -0.002(2) 0.014(2) 0.008(2)
C33 0.023(3) 0.026(3) 0.022(3) 0.002(2) 0.002(2) 0.003(2)
C34 0.012(2) 0.019(3) 0.021(3) -0.002(2) -0.0007(18) 0.0034(19)
C35 0.017(2) 0.024(3) 0.021(3) -0.002(2) -0.0028(19) 0.002(2)
C36 0.019(3) 0.036(3) 0.025(3) -0.002(2) 0.006(2) -0.006(2)
C37 0.032(3) 0.029(3) 0.019(3) -0.001(2) 0.012(2) 0.003(2)
C38 0.026(3) 0.022(3) 0.020(3) -0.004(2) 0.007(2) 0.000(2)
C39 0.019(2) 0.021(3) 0.019(3) 0.002(2) -0.0038(19) -0.001(2)
C40 0.024(3) 0.020(3) 0.016(2) -0.001(2) 0.000(2) 0.002(2)
C41 0.010(2) 0.032(3) 0.025(3) 0.003(2) -0.0013(19) 0.003(2)
C42 0.026(3) 0.032(3) 0.025(3) 0.001(2) 0.003(2) 0.003(2)
C43 0.032(3) 0.022(3) 0.021(3) 0.001(2) -0.002(2) -0.006(2)
C44 0.024(3) 0.034(3) 0.034(3) 0.010(2) -0.003(2) 0.000(2)
C45 0.026(3) 0.026(3) 0.026(3) 0.005(2) -0.001(2) 0.008(2)
C46 0.019(2) 0.026(3) 0.016(2) 0.001(2) 0.0049(19) -0.003(2)
C47 0.013(2) 0.034(3) 0.033(3) -0.004(2) 0.002(2) 0.005(2)
C48 0.023(3) 0.053(4) 0.016(3) -0.007(2) 0.000(2) 0.005(3)
C49 0.029(3) 0.047(4) 0.025(3) -0.019(3) 0.002(2) -0.007(3)
C50 0.040(3) 0.028(3) 0.033(3) -0.013(2) -0.005(3) 0.001(3)
C51 0.037(3) 0.030(3) 0.021(3) -0.002(2) -0.010(2) 0.008(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 C10 2.036(5) . ?
Au1 S1 2.3136(18) . ?
S1 C1 1.686(6) . ?
P1 N2 1.583(4) . ?
P1 C46 1.779(5) . ?
P1 C34 1.785(5) . ?
P1 C40 1.792(5) . ?
P2 N2 1.570(4) . ?
P2 C16 1.788(5) . ?
P2 C22 1.800(5) . ?
P2 C28 1.800(5) . ?
F1 C15 1.360(6) . ?
F2 C14 1.345(6) . ?
F3 C13 1.347(6) . ?
F4 C12 1.349(6) . ?
F5 C11 1.361(5) . ?
C1 C2 1.173(7) . ?
C2 C3 1.464(7) . ?
C3 C4 1.387(7) . ?
C3 C9 1.403(7) . ?
C4 C5 1.379(7) . ?
C5 C6 1.383(8) . ?
C6 C8 1.392(8) . ?
C6 C7 1.502(7) . ?
C8 C9 1.373(7) . ?
C10 C15 1.373(7) . ?
C10 C11 1.393(7) . ?
C11 C12 1.366(7) . ?
C12 C13 1.379(7) . ?
C13 C14 1.358(7) . ?
C14 C15 1.382(7) . ?
C16 C17 1.385(7) . ?
C16 C21 1.393(6) . ?
C17 C18 1.380(7) . ?
C18 C19 1.372(7) . ?
C19 C20 1.383(7) . ?
C20 C21 1.387(7) . ?
C22 C27 1.393(7) . ?
C22 C23 1.406(6) . ?
C23 C24 1.389(7) . ?
C24 C25 1.371(8) . ?
C25 C26 1.378(7) . ?
C26 C27 1.396(7) . ?
C28 C33 1.387(7) . ?
C28 C29 1.387(6) . ?
C29 C30 1.378(6) . ?
C30 C31 1.388(7) . ?
C31 C32 1.362(7) . ?
C32 C33 1.396(7) . ?
C34 C35 1.383(6) . ?
C34 C39 1.399(6) . ?
C35 C36 1.404(6) . ?
C36 C37 1.368(7) . ?
C37 C38 1.394(7) . ?
C38 C39 1.390(6) . ?
C40 C45 1.388(6) . ?
C40 C41 1.394(6) . ?
C41 C42 1.376(7) . ?
C42 C43 1.372(7) . ?
C43 C44 1.381(7) . ?
C44 C45 1.372(7) . ?
C46 C47 1.385(7) . ?
C46 C51 1.390(7) . ?
C47 C48 1.383(7) . ?
C48 C49 1.373(8) . ?
C49 C50 1.373(7) . ?
C50 C51 1.377(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
C10 Au1 S1 177.27(14) . . ?
C1 S1 Au1 101.33(17) . . ?
N2 P1 C46 109.9(2) . . ?
N2 P1 C34 114.3(2) . . ?
C46 P1 C34 108.3(2) . . ?
N2 P1 C40 107.6(2) . . ?
C46 P1 C40 110.5(2) . . ?
C34 P1 C40 106.2(2) . . ?
N2 P2 C16 112.5(2) . . ?
N2 P2 C22 114.8(2) . . ?
C16 P2 C22 108.2(2) . . ?
N2 P2 C28 105.8(2) . . ?
C16 P2 C28 107.5(2) . . ?
C22 P2 C28 107.8(2) . . ?
P2 N2 P1 140.1(3) . . ?
C2 C1 S1 178.8(4) . . ?
C1 C2 C3 177.5(5) . . ?
C4 C3 C9 117.4(5) . . ?
C4 C3 C2 121.8(5) . . ?
C9 C3 C2 120.7(4) . . ?
C5 C4 C3 121.4(5) . . ?
C4 C5 C6 121.0(5) . . ?
C5 C6 C8 118.1(5) . . ?
C5 C6 C7 120.7(5) . . ?
C8 C6 C7 121.2(6) . . ?
C9 C8 C6 121.0(5) . . ?
C8 C9 C3 121.1(5) . . ?
C15 C10 C11 113.3(5) . . ?
C15 C10 Au1 123.9(4) . . ?
C11 C10 Au1 122.8(4) . . ?
F5 C11 C12 116.5(4) . . ?
F5 C11 C10 118.6(4) . . ?
C12 C11 C10 124.9(5) . . ?
F4 C12 C11 121.6(5) . . ?
F4 C12 C13 119.6(5) . . ?
C11 C12 C13 118.7(5) . . ?
F3 C13 C14 120.8(5) . . ?
F3 C13 C12 120.0(5) . . ?
C14 C13 C12 119.1(5) . . ?
F2 C14 C13 119.1(5) . . ?
F2 C14 C15 120.9(5) . . ?
C13 C14 C15 120.0(5) . . ?
F1 C15 C10 119.6(5) . . ?
F1 C15 C14 116.5(5) . . ?
C10 C15 C14 123.9(5) . . ?
C17 C16 C21 119.1(4) . . ?
C17 C16 P2 118.8(4) . . ?
C21 C16 P2 121.9(4) . . ?
C18 C17 C16 121.1(5) . . ?
C19 C18 C17 119.7(5) . . ?
C18 C19 C20 120.1(5) . . ?
C19 C20 C21 120.5(5) . . ?
C20 C21 C16 119.5(5) . . ?
C27 C22 C23 119.3(4) . . ?
C27 C22 P2 119.0(4) . . ?
C23 C22 P2 121.3(4) . . ?
C24 C23 C22 119.8(5) . . ?
C25 C24 C23 120.3(5) . . ?
C24 C25 C26 120.7(5) . . ?
C25 C26 C27 120.0(5) . . ?
C22 C27 C26 119.8(5) . . ?
C33 C28 C29 120.1(4) . . ?
C33 C28 P2 120.0(4) . . ?
C29 C28 P2 119.9(4) . . ?
C30 C29 C28 119.9(5) . . ?
C29 C30 C31 120.3(5) . . ?
C32 C31 C30 119.9(4) . . ?
C31 C32 C33 120.8(5) . . ?
C28 C33 C32 119.1(5) . . ?
C35 C34 C39 119.5(4) . . ?
C35 C34 P1 124.0(4) . . ?
C39 C34 P1 116.3(3) . . ?
C34 C35 C36 119.4(4) . . ?
C37 C36 C35 121.0(5) . . ?
C36 C37 C38 119.9(4) . . ?
C39 C38 C37 119.6(4) . . ?
C38 C39 C34 120.6(4) . . ?
C45 C40 C41 119.3(5) . . ?
C45 C40 P1 119.0(4) . . ?
C41 C40 P1 121.5(4) . . ?
C42 C41 C40 119.3(4) . . ?
C43 C42 C41 121.1(5) . . ?
C42 C43 C44 119.7(5) . . ?
C45 C44 C43 120.0(5) . . ?
C44 C45 C40 120.5(5) . . ?
C47 C46 C51 118.5(5) . . ?
C47 C46 P1 121.9(4) . . ?
C51 C46 P1 119.6(4) . . ?
C48 C47 C46 120.0(5) . . ?
C49 C48 C47 120.9(5) . . ?
C50 C49 C48 119.6(5) . . ?
C49 C50 C51 120.0(5) . . ?
C50 C51 C46 121.1(5) . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.03
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.625
_refine_diff_density_min         -1.163
_refine_diff_density_rms         0.156

# Attachment 'compound9a.cif'

data_ele61asl
_database_code_depnum_ccdc_archive 'CCDC 650743'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H18 Au P S2'
_chemical_formula_weight         598.44

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'
P P 0.1023 0.0942 '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'
Au Au -2.0133 8.8022 '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                   10.0385(9)
_cell_length_b                   12.8538(12)
_cell_length_c                   18.5414(17)
_cell_angle_alpha                72.878(2)
_cell_angle_beta                 79.661(2)
_cell_angle_gamma                68.013(2)
_cell_volume                     2113.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.065
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1152
_exptl_absorpt_coefficient_mu    7.241
_exptl_absorpt_correction_type   'multi-scan correction'
_exptl_absorpt_correction_T_min  0.6632
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
(Sheldrick, M. SADABS empirical absorption program,
University of Gottingen, 1996)
;

_diffrn_ambient_temperature      273(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            16867
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_sigmaI/netI    0.1580
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.76
_diffrn_reflns_theta_max         28.30
_reflns_number_total             7228
_reflns_number_gt                4948
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'BRUKER SMART'
_computing_cell_refinement       'BRUKER SMART'
_computing_data_reduction        'BRUKER SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'BRUKER SHELXTL'
_computing_publication_material  'WinGX v1.10.01'

_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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7228
_refine_ls_number_parameters     496
_refine_ls_number_restraints     124
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0445
_refine_ls_wR_factor_ref         0.0961
_refine_ls_wR_factor_gt          0.0898
_refine_ls_goodness_of_fit_ref   0.704
_refine_ls_restrained_S_all      0.712
_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 0.72275(3) 0.88790(3) 0.176543(17) 0.01952(10) Uani 1 1 d . . .
Au2 Au 0.70534(3) 0.77033(3) 0.345358(17) 0.01672(9) Uani 1 1 d . . .
S1 S 0.5233(2) 1.0232(2) 0.22250(12) 0.0244(5) Uani 1 1 d . . .
S2 S 0.5231(2) 0.7352(2) 0.30396(12) 0.0220(5) Uani 1 1 d . . .
C9 C 0.6312(9) 0.3707(8) 0.4072(4) 0.0252(19) Uani 1 1 d DU A .
C10 C 0.6886(10) 0.2783(8) 0.3729(5) 0.032(2) Uani 1 1 d DU . .
H10 H 0.7082 0.2886 0.3208 0.039 Uiso 0.343(11) 1 calc PR A 1
H10' H 0.7072 0.2889 0.3207 0.039 Uiso 0.657(11) 1 calc PR A 2
C11 C 0.715(6) 0.1660(16) 0.4247(11) 0.036(7) Uiso 0.343(11) 1 d PDU A 1
H11 H 0.7506 0.0952 0.4119 0.043 Uiso 0.343(11) 1 calc PR A 1
S4 S 0.6671(14) 0.1875(8) 0.5188(5) 0.028(3) Uiso 0.343(11) 1 d PDU A 1
C12 C 0.6174(9) 0.3288(7) 0.4857(5) 0.0261(18) Uani 1 1 d DU . .
H12 H 0.5817 0.3784 0.5178 0.031 Uiso 0.343(11) 1 calc PR A 1
H12' H 0.5826 0.3778 0.5182 0.031 Uiso 0.657(11) 1 calc PR A 2
S4' S 0.7212(8) 0.1489(4) 0.4319(2) 0.0303(13) Uiso 0.657(11) 1 d PDU A 2
C11' C 0.660(3) 0.2067(14) 0.5128(9) 0.027(5) Uiso 0.657(11) 1 d PDU A 2
H11' H 0.6558 0.1650 0.5630 0.032 Uiso 0.657(11) 1 calc PR A 2
P1 P 0.9057(2) 0.7644(2) 0.11893(12) 0.0203(5) Uani 1 1 d . . .
P2 P 0.8807(2) 0.7934(2) 0.39423(12) 0.0171(4) Uani 1 1 d . . .
C1 C 0.5538(9) 1.1508(9) 0.1918(5) 0.027(2) Uani 1 1 d . . .
C2 C 0.5717(10) 1.2404(9) 0.1758(6) 0.030(2) Uani 1 1 d . B .
C7 C 0.5657(9) 0.5937(8) 0.3408(5) 0.0210(19) Uani 1 1 d . A .
C8 C 0.5960(10) 0.4894(9) 0.3681(5) 0.025(2) Uani 1 1 d . . .
C13 C 1.0563(9) 0.8159(8) 0.0818(5) 0.024(2) Uani 1 1 d . . .
C14 C 1.1311(12) 0.8284(10) 0.1331(6) 0.040(3) Uani 1 1 d . . .
H14 H 1.1039 0.8114 0.1847 0.048 Uiso 1 1 calc R . .
C15 C 1.2475(12) 0.8667(12) 0.1059(7) 0.050(3) Uani 1 1 d . . .
H15 H 1.3015 0.8725 0.1395 0.061 Uiso 1 1 calc R . .
C16 C 1.2816(13) 0.8952(11) 0.0312(8) 0.052(4) Uani 1 1 d . . .
H16 H 1.3605 0.9197 0.0140 0.063 Uiso 1 1 calc R . .
C17 C 1.2069(12) 0.8901(11) -0.0198(6) 0.045(3) Uani 1 1 d . . .
H17 H 1.2327 0.9125 -0.0712 0.054 Uiso 1 1 calc R . .
C18 C 1.0890(11) 0.8507(8) 0.0047(5) 0.029(2) Uani 1 1 d . . .
H18 H 1.0346 0.8481 -0.0300 0.034 Uiso 1 1 calc R . .
C19 C 0.8495(10) 0.7435(8) 0.0382(5) 0.023(2) Uani 1 1 d . . .
C20 C 0.7111(9) 0.8086(9) 0.0155(5) 0.026(2) Uani 1 1 d . . .
H20 H 0.6456 0.8575 0.0438 0.031 Uiso 1 1 calc R . .
C21 C 0.6719(11) 0.7995(11) -0.0501(5) 0.037(3) Uani 1 1 d . . .
H21 H 0.5807 0.8450 -0.0663 0.044 Uiso 1 1 calc R . .
C22 C 0.7636(11) 0.7257(9) -0.0909(5) 0.030(2) Uani 1 1 d . . .
H22 H 0.7352 0.7202 -0.1343 0.036 Uiso 1 1 calc R . .
C23 C 0.8985(10) 0.6594(9) -0.0677(5) 0.026(2) Uani 1 1 d . . .
H23 H 0.9618 0.6080 -0.0950 0.031 Uiso 1 1 calc R . .
C24 C 0.9415(10) 0.6689(9) -0.0027(5) 0.027(2) Uani 1 1 d . . .
H24 H 1.0335 0.6241 0.0126 0.032 Uiso 1 1 calc R . .
C25 C 0.9832(9) 0.6211(8) 0.1763(5) 0.0185(18) Uani 1 1 d . . .
C26 C 0.8902(9) 0.5684(8) 0.2256(5) 0.0231(19) Uani 1 1 d . . .
H26 H 0.7920 0.6098 0.2298 0.028 Uiso 1 1 calc R . .
C27 C 0.9449(11) 0.4529(9) 0.2687(6) 0.032(2) Uani 1 1 d . . .
H27 H 0.8831 0.4174 0.3008 0.038 Uiso 1 1 calc R . .
C28 C 1.0897(10) 0.3937(9) 0.2629(6) 0.029(2) Uani 1 1 d . . .
H28 H 1.1256 0.3178 0.2916 0.035 Uiso 1 1 calc R . .
C29 C 1.1847(11) 0.4438(10) 0.2153(6) 0.034(2) Uani 1 1 d . . .
H29 H 1.2829 0.4020 0.2126 0.041 Uiso 1 1 calc R . .
C30 C 1.1321(9) 0.5566(9) 0.1719(5) 0.024(2) Uani 1 1 d . . .
H30 H 1.1953 0.5902 0.1397 0.029 Uiso 1 1 calc R . .
C31 C 1.0297(8) 0.6585(8) 0.4211(5) 0.0185(18) Uani 1 1 d . . .
C32 C 1.1087(9) 0.6013(8) 0.3661(5) 0.0236(19) Uani 1 1 d . . .
H32 H 1.0854 0.6311 0.3160 0.028 Uiso 1 1 calc R . .
C33 C 1.2224(10) 0.4996(9) 0.3867(6) 0.030(2) Uani 1 1 d . . .
H33 H 1.2772 0.4618 0.3499 0.036 Uiso 1 1 calc R . .
C34 C 1.2554(9) 0.4539(9) 0.4596(6) 0.030(2) Uani 1 1 d . . .
H34 H 1.3328 0.3854 0.4721 0.036 Uiso 1 1 calc R . .
C35 C 1.1780(10) 0.5062(9) 0.5145(5) 0.027(2) Uani 1 1 d . . .
H35 H 1.2002 0.4729 0.5646 0.032 Uiso 1 1 calc R . .
C36 C 1.0636(10) 0.6110(8) 0.4955(5) 0.024(2) Uani 1 1 d . . .
H36 H 1.0107 0.6485 0.5328 0.029 Uiso 1 1 calc R . .
C37 C 0.8186(9) 0.8463(8) 0.4783(5) 0.0190(18) Uani 1 1 d . . .
C38 C 0.9132(10) 0.8724(8) 0.5128(5) 0.023(2) Uani 1 1 d . . .
H38 H 1.0047 0.8681 0.4898 0.028 Uiso 1 1 calc R . .
C39 C 0.8703(10) 0.9040(9) 0.5798(5) 0.027(2) Uani 1 1 d . . .
H39 H 0.9339 0.9199 0.6023 0.033 Uiso 1 1 calc R . .
C40 C 0.7330(10) 0.9129(8) 0.6150(5) 0.025(2) Uani 1 1 d . . .
H40 H 0.7048 0.9337 0.6608 0.031 Uiso 1 1 calc R . .
C41 C 0.6381(10) 0.8899(9) 0.5799(5) 0.029(2) Uani 1 1 d . . .
H41 H 0.5453 0.8974 0.6020 0.034 Uiso 1 1 calc R . .
C42 C 0.6806(9) 0.8567(8) 0.5134(5) 0.0214(18) Uani 1 1 d . . .
H42 H 0.6167 0.8407 0.4913 0.026 Uiso 1 1 calc R . .
C43 C 0.9610(8) 0.8946(7) 0.3306(4) 0.0153(17) Uani 1 1 d . . .
C44 C 1.1090(9) 0.8740(7) 0.3217(5) 0.0172(17) Uani 1 1 d . . .
H44 H 1.1719 0.8049 0.3482 0.021 Uiso 1 1 calc R . .
C45 C 1.1616(9) 0.9565(9) 0.2734(5) 0.025(2) Uani 1 1 d . . .
H45 H 1.2602 0.9426 0.2686 0.030 Uiso 1 1 calc R . .
C46 C 1.0740(10) 1.0576(8) 0.2324(5) 0.026(2) Uani 1 1 d . . .
H46 H 1.1120 1.1118 0.1998 0.032 Uiso 1 1 calc R . .
C47 C 0.9249(11) 1.0790(9) 0.2401(5) 0.029(2) Uani 1 1 d . . .
H47 H 0.8633 1.1479 0.2125 0.035 Uiso 1 1 calc R . .
C48 C 0.8696(7) 0.9972(6) 0.2890(4) 0.0228(19) Uani 1 1 d . . .
H48 H 0.7710 1.0113 0.2938 0.027 Uiso 1 1 calc R . .
C3 C 0.5862(7) 1.3542(6) 0.1474(4) 0.035(2) Uani 1 1 d RDU . .
C4 C 0.624(2) 1.3999(13) 0.0703(7) 0.039(4) Uiso 0.604(12) 1 d PDU B 1
H4 H 0.6496 1.3554 0.0353 0.046 Uiso 0.604(12) 1 calc PR B 1
C5 C 0.6210(6) 1.5153(5) 0.0488(3) 0.052(5) Uiso 0.604(12) 1 d PDU B 1
H5 H 0.6347 1.5592 0.0001 0.062 Uiso 0.604(12) 1 calc PR B 1
S3 S 0.5859(6) 1.5581(5) 0.1342(3) 0.0431(16) Uiso 0.604(12) 1 d PRDU B 1
C6 C 0.5503(12) 1.4369(9) 0.1892(6) 0.045(3) Uani 1 1 d DU B .
H6 H 0.5126 1.4275 0.2394 0.054 Uiso 0.604(12) 1 calc PR B 1
H6' H 0.5049 1.4213 0.2375 0.054 Uiso 0.396(12) 1 calc PR B 2
S3' S 0.6598(13) 1.5217(10) 0.0745(6) 0.078(4) Uiso 0.396(12) 1 d PDU B 2
C4' C 0.680(3) 1.3834(16) 0.0869(12) 0.044(5) Uiso 0.396(12) 1 d PDU B 2
H4' H 0.7432 1.3341 0.0583 0.052 Uiso 0.396(12) 1 calc PR B 2
C5' C 0.578(2) 1.5418(15) 0.1634(10) 0.016(4) Uiso 0.396(12) 1 d PDU B 2
H5' H 0.5590 1.6020 0.1861 0.019 Uiso 0.396(12) 1 calc PR B 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 0.01846(17) 0.0220(2) 0.01638(16) -0.00481(14) 0.00229(12) -0.00663(16)
Au2 0.01586(16) 0.0181(2) 0.01747(16) -0.00392(13) -0.00130(12) -0.00754(15)
S1 0.0180(10) 0.0235(13) 0.0257(11) -0.0046(10) 0.0056(8) -0.0049(10)
S2 0.0185(10) 0.0231(13) 0.0260(11) -0.0025(9) -0.0050(8) -0.0102(10)
C9 0.021(4) 0.027(5) 0.030(4) -0.014(4) 0.005(3) -0.009(4)
C10 0.030(4) 0.029(5) 0.037(5) -0.011(4) -0.002(4) -0.008(4)
C12 0.023(4) 0.025(5) 0.038(4) -0.014(4) 0.001(3) -0.013(4)
P1 0.0202(11) 0.0249(14) 0.0168(10) -0.0074(9) 0.0036(8) -0.0096(11)
P2 0.0164(10) 0.0196(13) 0.0173(10) -0.0065(9) -0.0019(8) -0.0068(10)
C1 0.012(4) 0.035(6) 0.024(5) -0.009(4) 0.002(3) 0.003(4)
C2 0.026(5) 0.028(6) 0.042(5) -0.017(5) 0.006(4) -0.015(5)
C7 0.014(4) 0.031(6) 0.025(4) -0.012(4) 0.005(3) -0.014(4)
C8 0.023(5) 0.027(6) 0.022(4) -0.006(4) 0.000(3) -0.007(4)
C13 0.021(4) 0.019(5) 0.035(5) -0.015(4) 0.006(4) -0.006(4)
C14 0.044(6) 0.051(8) 0.043(6) -0.025(6) 0.011(5) -0.032(6)
C15 0.039(6) 0.070(9) 0.067(8) -0.034(7) 0.009(6) -0.039(7)
C16 0.043(7) 0.051(8) 0.082(9) -0.038(7) 0.030(6) -0.035(7)
C17 0.047(7) 0.053(8) 0.037(6) -0.023(6) 0.030(5) -0.023(7)
C18 0.038(5) 0.017(5) 0.027(5) -0.001(4) 0.003(4) -0.011(5)
C19 0.035(5) 0.025(6) 0.017(4) -0.004(4) -0.001(4) -0.018(5)
C20 0.019(4) 0.039(6) 0.014(4) -0.005(4) -0.002(3) -0.005(5)
C21 0.026(5) 0.058(8) 0.019(5) -0.015(5) -0.001(4) -0.003(5)
C22 0.038(6) 0.031(6) 0.020(4) -0.004(4) -0.010(4) -0.011(5)
C23 0.031(5) 0.024(5) 0.021(4) -0.011(4) -0.001(4) -0.004(4)
C24 0.026(5) 0.033(6) 0.023(4) -0.007(4) -0.001(4) -0.012(5)
C25 0.017(4) 0.021(5) 0.018(4) -0.010(4) 0.007(3) -0.006(4)
C26 0.015(4) 0.024(5) 0.030(5) -0.014(4) 0.005(3) -0.005(4)
C27 0.030(5) 0.031(6) 0.039(6) -0.014(5) 0.006(4) -0.016(5)
C28 0.032(5) 0.016(5) 0.035(5) -0.006(4) -0.004(4) -0.003(4)
C29 0.031(5) 0.035(7) 0.038(6) -0.017(5) -0.002(4) -0.007(5)
C30 0.016(4) 0.030(6) 0.021(4) -0.005(4) -0.002(3) -0.002(4)
C31 0.010(4) 0.019(5) 0.032(4) -0.012(4) 0.005(3) -0.010(4)
C32 0.023(4) 0.019(5) 0.028(5) -0.004(4) -0.003(4) -0.007(4)
C33 0.019(5) 0.030(6) 0.044(6) -0.017(5) 0.008(4) -0.009(5)
C34 0.011(4) 0.028(6) 0.054(6) -0.014(5) -0.001(4) -0.009(4)
C35 0.032(5) 0.025(6) 0.029(5) 0.003(4) -0.011(4) -0.018(5)
C36 0.031(5) 0.023(5) 0.027(4) -0.006(4) -0.004(4) -0.019(5)
C37 0.018(4) 0.022(5) 0.021(4) -0.009(4) 0.000(3) -0.009(4)
C38 0.026(4) 0.026(5) 0.025(4) -0.008(4) -0.006(3) -0.013(4)
C39 0.030(5) 0.031(6) 0.027(5) -0.016(4) 0.003(4) -0.013(5)
C40 0.029(5) 0.025(5) 0.017(4) -0.005(4) 0.005(4) -0.008(5)
C41 0.026(5) 0.025(6) 0.036(5) -0.014(4) 0.010(4) -0.012(5)
C42 0.015(4) 0.016(5) 0.026(4) -0.006(4) 0.000(3) 0.002(4)
C43 0.018(4) 0.015(5) 0.014(4) -0.002(3) 0.001(3) -0.009(4)
C44 0.022(4) 0.008(4) 0.022(4) -0.002(3) -0.006(3) -0.005(4)
C45 0.019(4) 0.030(6) 0.031(5) -0.014(4) 0.001(4) -0.011(4)
C46 0.032(5) 0.019(5) 0.028(5) -0.009(4) 0.012(4) -0.014(4)
C47 0.034(5) 0.019(5) 0.032(5) 0.006(4) -0.014(4) -0.011(5)
C48 0.017(4) 0.026(5) 0.028(5) -0.007(4) -0.005(3) -0.008(4)
C3 0.029(4) 0.030(5) 0.041(5) -0.004(4) -0.003(4) -0.009(4)
C6 0.045(6) 0.043(6) 0.055(6) -0.020(5) -0.009(5) -0.015(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 P1 2.268(2) . ?
Au1 S1 2.326(2) . ?
Au1 Au2 3.0542(5) . ?
Au2 P2 2.2649(18) . ?
Au2 S2 2.3380(18) . ?
S1 C1 1.695(11) . ?
S2 C7 1.659(10) . ?
C9 C10 1.396(10) . ?
C9 C12 1.397(10) . ?
C9 C8 1.419(13) . ?
C10 C11 1.437(18) . ?
C10 S4' 1.650(10) . ?
C10 H10 0.9300 . ?
C10 H10' 0.9300 . ?
C11 S4 1.798(16) . ?
C11 H11 0.9300 . ?
S4 C12 1.643(12) . ?
C12 C11' 1.417(16) . ?
C12 H12 0.9300 . ?
C12 H12' 0.9300 . ?
S4' C11' 1.779(14) . ?
C11' H11' 0.9300 . ?
P1 C25 1.789(9) . ?
P1 C19 1.812(8) . ?
P1 C13 1.818(8) . ?
P2 C37 1.800(9) . ?
P2 C43 1.808(7) . ?
P2 C31 1.819(9) . ?
C1 C2 1.174(13) . ?
C2 C3 1.456(11) . ?
C7 C8 1.223(13) . ?
C13 C18 1.385(13) . ?
C13 C14 1.389(13) . ?
C14 C15 1.392(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.340(17) . ?
C15 H15 0.9300 . ?
C16 C17 1.337(17) . ?
C16 H16 0.9300 . ?
C17 C18 1.408(13) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.364(13) . ?
C19 C20 1.393(13) . ?
C20 C21 1.393(12) . ?
C20 H20 0.9300 . ?
C21 C22 1.356(15) . ?
C21 H21 0.9300 . ?
C22 C23 1.369(13) . ?
C22 H22 0.9300 . ?
C23 C24 1.402(12) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.403(10) . ?
C25 C30 1.412(12) . ?
C26 C27 1.413(14) . ?
C26 H26 0.9300 . ?
C27 C28 1.366(14) . ?
C27 H27 0.9300 . ?
C28 C29 1.387(13) . ?
C28 H28 0.9300 . ?
C29 C30 1.387(14) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.381(12) . ?
C31 C32 1.387(12) . ?
C32 C33 1.379(14) . ?
C32 H32 0.9300 . ?
C33 C34 1.352(14) . ?
C33 H33 0.9300 . ?
C34 C35 1.349(14) . ?
C34 H34 0.9300 . ?
C35 C36 1.402(14) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.397(11) . ?
C37 C38 1.416(10) . ?
C38 C39 1.367(12) . ?
C38 H38 0.9300 . ?
C39 C40 1.394(12) . ?
C39 H39 0.9300 . ?
C40 C41 1.401(12) . ?
C40 H40 0.9300 . ?
C41 C42 1.366(13) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.388(11) . ?
C43 C44 1.396(11) . ?
C44 C45 1.377(11) . ?
C44 H44 0.9300 . ?
C45 C46 1.357(14) . ?
C45 H45 0.9300 . ?
C46 C47 1.405(13) . ?
C46 H46 0.9300 . ?
C47 C48 1.389(10) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C3 C4' 1.385(14) . ?
C3 C6 1.399(10) . ?
C3 C4 1.417(12) . ?
C4 C5 1.408(14) . ?
C4 H4 0.9300 . ?
C5 S3 1.7618 . ?
C5 H5 0.9300 . ?
S3 C6 1.717(10) . ?
C6 C5' 1.407(16) . ?
C6 H6 0.9300 . ?
C6 H6' 0.9300 . ?
S3' C4' 1.662(16) . ?
S3' C5' 1.751(15) . ?
C4' H4' 0.9300 . ?
C5' H5' 0.9300 . ?

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
P1 Au1 S1 173.46(8) . . ?
P1 Au1 Au2 107.85(6) . . ?
S1 Au1 Au2 77.98(6) . . ?
P2 Au2 S2 175.38(8) . . ?
P2 Au2 Au1 105.91(5) . . ?
S2 Au2 Au1 78.57(5) . . ?
C1 S1 Au1 106.1(3) . . ?
C7 S2 Au2 100.8(3) . . ?
C10 C9 C12 109.8(8) . . ?
C10 C9 C8 124.9(8) . . ?
C12 C9 C8 125.2(8) . . ?
C9 C10 C11 114.4(10) . . ?
C9 C10 S4' 114.9(7) . . ?
C11 C10 S4' 1(2) . . ?
C9 C10 H10 122.8 . . ?
C11 C10 H10 122.8 . . ?
S4' C10 H10 122.3 . . ?
C9 C10 H10' 122.6 . . ?
C11 C10 H10' 123.0 . . ?
S4' C10 H10' 122.6 . . ?
H10 C10 H10' 0.6 . . ?
C10 C11 S4 107.4(12) . . ?
C10 C11 H11 126.3 . . ?
S4 C11 H11 126.3 . . ?
C12 S4 C11 91.4(8) . . ?
C9 C12 C11' 115.8(9) . . ?
C9 C12 S4 116.8(7) . . ?
C11' C12 S4 1.2(10) . . ?
C9 C12 H12 121.6 . . ?
C11' C12 H12 122.6 . . ?
S4 C12 H12 121.6 . . ?
C9 C12 H12' 122.1 . . ?
C11' C12 H12' 122.1 . . ?
S4 C12 H12' 121.1 . . ?
H12 C12 H12' 0.7 . . ?
C10 S4' C11' 92.9(7) . . ?
C12 C11' S4' 106.6(10) . . ?
C12 C11' H11' 126.7 . . ?
S4' C11' H11' 126.7 . . ?
C25 P1 C19 104.5(4) . . ?
C25 P1 C13 105.2(4) . . ?
C19 P1 C13 105.3(4) . . ?
C25 P1 Au1 115.9(3) . . ?
C19 P1 Au1 112.0(3) . . ?
C13 P1 Au1 113.0(3) . . ?
C37 P2 C43 104.9(4) . . ?
C37 P2 C31 105.7(4) . . ?
C43 P2 C31 105.6(4) . . ?
C37 P2 Au2 113.2(3) . . ?
C43 P2 Au2 114.3(3) . . ?
C31 P2 Au2 112.4(2) . . ?
C2 C1 S1 175.1(9) . . ?
C1 C2 C3 173.0(10) . . ?
C8 C7 S2 179.5(9) . . ?
C7 C8 C9 174.0(9) . . ?
C18 C13 C14 120.5(8) . . ?
C18 C13 P1 121.4(7) . . ?
C14 C13 P1 117.9(7) . . ?
C13 C14 C15 118.8(10) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
C16 C15 C14 119.8(10) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C15 122.8(9) . . ?
C17 C16 H16 118.6 . . ?
C15 C16 H16 118.6 . . ?
C16 C17 C18 119.8(10) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C13 C18 C17 118.2(9) . . ?
C13 C18 H18 120.9 . . ?
C17 C18 H18 120.9 . . ?
C24 C19 C20 119.2(8) . . ?
C24 C19 P1 121.5(7) . . ?
C20 C19 P1 119.3(7) . . ?
C19 C20 C21 119.3(9) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 H20 120.4 . . ?
C22 C21 C20 121.5(9) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C21 C22 C23 119.4(8) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C22 C23 C24 120.1(9) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C19 C24 C23 120.5(9) . . ?
C19 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 C30 118.5(8) . . ?
C26 C25 P1 118.0(6) . . ?
C30 C25 P1 123.4(6) . . ?
C25 C26 C27 120.3(8) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C28 C27 C26 119.2(8) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 121.8(9) . . ?
C27 C28 H28 119.1 . . ?
C29 C28 H28 119.1 . . ?
C30 C29 C28 119.5(9) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C29 C30 C25 120.6(8) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C36 C31 C32 119.5(9) . . ?
C36 C31 P2 121.1(7) . . ?
C32 C31 P2 119.4(7) . . ?
C33 C32 C31 119.1(9) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C34 C33 C32 121.1(9) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C35 C34 C33 121.1(10) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C36 119.5(9) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C31 C36 C35 119.8(9) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C42 C37 C38 118.4(8) . . ?
C42 C37 P2 121.5(6) . . ?
C38 C37 P2 120.0(6) . . ?
C39 C38 C37 120.2(8) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C38 C39 C40 121.0(8) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C39 C40 C41 118.7(8) . . ?
C39 C40 H40 120.6 . . ?
C41 C40 H40 120.6 . . ?
C42 C41 C40 120.7(8) . . ?
C42 C41 H41 119.7 . . ?
C40 C41 H41 119.7 . . ?
C41 C42 C37 120.9(8) . . ?
C41 C42 H42 119.6 . . ?
C37 C42 H42 119.6 . . ?
C48 C43 C44 119.0(7) . . ?
C48 C43 P2 117.7(5) . . ?
C44 C43 P2 123.2(6) . . ?
C45 C44 C43 119.8(8) . . ?
C45 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C46 C45 C44 122.0(8) . . ?
C46 C45 H45 119.0 . . ?
C44 C45 H45 119.0 . . ?
C45 C46 C47 118.9(8) . . ?
C45 C46 H46 120.5 . . ?
C47 C46 H46 120.5 . . ?
C48 C47 C46 119.9(9) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
C43 C48 C47 120.3(7) . . ?
C43 C48 H48 119.8 . . ?
C47 C48 H48 119.8 . . ?
C4' C3 C6 106.4(10) . . ?
C4' C3 C4 25.7(12) . . ?
C6 C3 C4 111.2(8) . . ?
C4' C3 C2 124.9(9) . . ?
C6 C3 C2 125.3(7) . . ?
C4 C3 C2 123.2(8) . . ?
C5 C4 C3 117.6(10) . . ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
C4 C5 S3 104.8(6) . . ?
C4 C5 H5 127.6 . . ?
S3 C5 H5 127.6 . . ?
C6 S3 C5 95.5(4) . . ?
C3 C6 C5' 124.6(10) . . ?
C3 C6 S3 109.9(7) . . ?
C5' C6 S3 15.6(7) . . ?
C3 C6 H6 125.0 . . ?
C5' C6 H6 110.2 . . ?
S3 C6 H6 125.0 . . ?
C3 C6 H6' 117.7 . . ?
C5' C6 H6' 117.7 . . ?
S3 C6 H6' 132.0 . . ?
H6 C6 H6' 8.9 . . ?
C4' S3' C5' 99.8(9) . . ?
C3 C4' S3' 108.3(11) . . ?
C3 C4' H4' 125.8 . . ?
S3' C4' H4' 125.8 . . ?
C6 C5' S3' 96.7(9) . . ?
C6 C5' H5' 131.7 . . ?
S3' C5' H5' 131.6 . . ?

_diffrn_measured_fraction_theta_max 0.688
_diffrn_reflns_theta_full        28.30
_diffrn_measured_fraction_theta_full 0.688
_refine_diff_density_max         1.658
_refine_diff_density_min         -1.132
_refine_diff_density_rms         0.153