# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014


data_c303

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H46 Au2 Cl4 P2 S2'
_chemical_formula_weight         1380.72

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'
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   C2/c

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

_cell_length_a                   23.2023(4)
_cell_length_b                   13.8267(2)
_cell_length_c                   18.1353(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.409(2)
_cell_angle_gamma                90.00
_cell_volume                     5635.00(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    11595
_cell_measurement_theta_min      4.2459
_cell_measurement_theta_max      28.7660

_exptl_crystal_description       Prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2680
_exptl_absorpt_coefficient_mu    5.556
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.6971
_exptl_absorpt_correction_T_max  0.7686
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω rotations'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27864
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         4.25
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5209
_reflns_number_gt                4695
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.
 A system of restrainsts to light-atom displacement factor component were used
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0348P)²+50.8815P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5209
_refine_ls_number_parameters     334
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0287
_refine_ls_wR_factor_ref         0.0746
_refine_ls_wR_factor_gt          0.0720
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.062
_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 0.595840(7) 0.616867(12) 0.322188(9) 0.01630(7) Uani 1 1 d . . .
S1 S 0.51357(5) 0.69611(9) 0.34192(6) 0.0200(2) Uani 1 1 d . . .
P1 P 0.67877(5) 0.55132(9) 0.29892(6) 0.0171(2) Uani 1 1 d . . .
C2 C 0.5377(2) 0.6099(3) 0.4859(3) 0.0162(9) Uani 1 1 d U . .
H2 H 0.5565 0.5585 0.4661 0.019 Uiso 1 1 calc R . .
C3 C 0.5346(2) 0.6075(3) 0.5614(2) 0.0165(9) Uani 1 1 d U . .
H3 H 0.5519 0.5546 0.5926 0.020 Uiso 1 1 calc R . .
C12 C 0.6391(2) 0.5979(3) 0.1456(3) 0.0199(10) Uani 1 1 d U . .
H12 H 0.6135 0.6423 0.1617 0.024 Uiso 1 1 calc R . .
C8 C 0.5041(2) 0.6794(3) 0.6734(2) 0.0179(9) Uani 1 1 d U . .
C4 C 0.5068(2) 0.6808(3) 0.5927(2) 0.0172(9) Uani 1 1 d U . .
C11 C 0.6765(2) 0.5390(4) 0.1982(3) 0.0203(10) Uani 1 1 d U . .
C21 C 0.6982(2) 0.4316(3) 0.3397(2) 0.0189(9) Uani 1 1 d U . .
C1 C 0.5133(2) 0.6874(3) 0.4389(2) 0.0173(9) Uani 1 1 d U . .
C7 C 0.5021(2) 0.7653(4) 0.7126(3) 0.0236(10) Uani 1 1 d U . .
H7 H 0.5037 0.8252 0.6875 0.028 Uiso 1 1 calc R . .
C24 C 0.7242(2) 0.2464(4) 0.3982(3) 0.0304(11) Uani 1 1 d U . .
H24 H 0.7332 0.1830 0.4180 0.037 Uiso 1 1 calc R . .
C6 C 0.4846(2) 0.7600(4) 0.4692(3) 0.0245(11) Uani 1 1 d U . .
H6 H 0.4668 0.8124 0.4378 0.029 Uiso 1 1 calc R . .
C15 C 0.7134(3) 0.4691(4) 0.0977(3) 0.0334(13) Uani 1 1 d U . .
H15 H 0.7386 0.4244 0.0812 0.040 Uiso 1 1 calc R . .
C16 C 0.7137(2) 0.4743(4) 0.1742(3) 0.0294(12) Uani 1 1 d U . .
H16 H 0.7393 0.4335 0.2101 0.035 Uiso 1 1 calc R . .
C5 C 0.4816(2) 0.7567(4) 0.5449(3) 0.0250(11) Uani 1 1 d U . .
H5 H 0.4619 0.8072 0.5644 0.030 Uiso 1 1 calc R . .
C9 C 0.50232(19) 0.5930(3) 0.7126(2) 0.0162(9) Uani 1 1 d U . .
H9 H 0.5043 0.5331 0.6877 0.019 Uiso 1 1 calc R . .
C22 C 0.6530(2) 0.3657(4) 0.3381(3) 0.0278(11) Uani 1 1 d U . .
H22 H 0.6128 0.3838 0.3169 0.033 Uiso 1 1 calc R . .
C13 C 0.6389(2) 0.5919(4) 0.0689(3) 0.0238(10) Uani 1 1 d U . .
H13 H 0.6127 0.6316 0.0328 0.029 Uiso 1 1 calc R . .
C14 C 0.6762(2) 0.5292(4) 0.0454(3) 0.0267(11) Uani 1 1 d U . .
H14 H 0.6768 0.5267 -0.0068 0.032 Uiso 1 1 calc R . .
C26 C 0.7570(2) 0.4044(4) 0.3716(3) 0.0292(11) Uani 1 1 d U . .
H26 H 0.7884 0.4491 0.3734 0.035 Uiso 1 1 calc R . .
C23 C 0.6662(2) 0.2730(4) 0.3672(3) 0.0315(12) Uani 1 1 d U . .
H23 H 0.6349 0.2281 0.3657 0.038 Uiso 1 1 calc R . .
C25 C 0.7694(2) 0.3122(4) 0.4005(3) 0.0350(13) Uani 1 1 d U . .
H25 H 0.8095 0.2938 0.4223 0.042 Uiso 1 1 calc R . .
C31 C 0.7444(2) 0.6240(3) 0.3404(3) 0.0206(10) Uani 1 1 d U . .
C32 C 0.7543(3) 0.6470(4) 0.4165(3) 0.0312(12) Uani 1 1 d U . .
H32 H 0.7259 0.6289 0.4439 0.037 Uiso 1 1 calc R . .
C36 C 0.7845(3) 0.6544(5) 0.3008(3) 0.0395(14) Uani 1 1 d U . .
H36 H 0.7776 0.6406 0.2480 0.047 Uiso 1 1 calc R . .
C33 C 0.8053(3) 0.6965(4) 0.4534(3) 0.0368(13) Uani 1 1 d U . .
H33 H 0.8123 0.7106 0.5062 0.044 Uiso 1 1 calc R . .
C34 C 0.8455(3) 0.7251(4) 0.4139(3) 0.0396(14) Uani 1 1 d U . .
H34 H 0.8806 0.7585 0.4391 0.048 Uiso 1 1 calc R . .
C35 C 0.8346(3) 0.7050(5) 0.3376(4) 0.0489(17) Uani 1 1 d U . .
H35 H 0.8619 0.7263 0.3098 0.059 Uiso 1 1 calc R . .
Cl1 Cl 0.35389(14) 0.1585(2) 0.7474(3) 0.0791(15) Uani 0.50 1 d P . .
Cl2 Cl 0.62813(17) -0.0205(3) 0.9425(3) 0.0690(11) Uani 0.50 1 d P . .
Cl4 Cl 0.5002(2) 0.0088(3) 0.8928(3) 0.0716(11) Uani 0.50 1 d P . .
Cl3 Cl 0.4018(4) -0.0129(5) 0.7002(6) 0.052(2) Uani 0.20 1 d P . .
C100 C 0.4145(6) 0.1056(8) 0.7402(11) 0.062(5) Uani 0.50 1 d P . .
C101 C 0.5700(7) 0.0543(11) 0.9502(9) 0.061(4) Uani 0.50 1 d P . .
Cl5 Cl 0.4188(3) 0.0163(4) 0.8323(4) 0.0638(17) Uani 0.30 1 d P . .


_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 2.2597(11) . ?
Au1 S1 2.3048(11) . ?
S1 C1 1.765(4) . ?
P1 C31 1.822(5) . ?
P1 C11 1.822(5) . ?
P1 C21 1.823(5) . ?
C2 C3 1.389(6) . ?
C2 C1 1.399(6) . ?
C3 C4 1.395(6) . ?
C12 C11 1.384(7) . ?
C12 C13 1.391(7) . ?
C8 C7 1.391(7) . ?
C8 C9 1.396(6) . ?
C8 C4 1.480(6) . ?
C4 C5 1.394(7) . ?
C11 C16 1.385(7) . ?
C21 C22 1.384(7) . ?
C21 C26 1.394(7) . ?
C1 C6 1.390(7) . ?
C7 C7 1.385(9) 2_656 ?
C24 C23 1.375(8) . ?
C24 C25 1.381(8) . ?
C6 C5 1.394(6) . ?
C15 C16 1.387(7) . ?
C15 C14 1.388(8) . ?
C9 C9 1.386(9) 2_656 ?
C22 C23 1.390(7) . ?
C13 C14 1.367(7) . ?
C26 C25 1.382(8) . ?
C31 C36 1.376(7) . ?
C31 C32 1.380(7) . ?
C32 C33 1.387(8) . ?
C36 C35 1.380(8) . ?
C33 C34 1.368(8) . ?
C34 C35 1.371(8) . ?
Cl1 C100 1.618(12) . ?
Cl2 C101 1.732(16) . ?
Cl4 C101 1.806(16) . ?
Cl4 Cl5 1.936(9) . ?
Cl3 C100 1.786(14) . ?
Cl3 Cl5 2.364(12) . ?
C100 Cl5 2.058(19) . ?

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 175.06(4) . . ?
C1 S1 Au1 109.34(16) . . ?
C31 P1 C11 106.1(2) . . ?
C31 P1 C21 103.7(2) . . ?
C11 P1 C21 105.3(2) . . ?
C31 P1 Au1 111.36(16) . . ?
C11 P1 Au1 114.29(16) . . ?
C21 P1 Au1 115.13(15) . . ?
C3 C2 C1 120.4(4) . . ?
C2 C3 C4 121.7(4) . . ?
C11 C12 C13 119.9(5) . . ?
C7 C8 C9 117.4(4) . . ?
C7 C8 C4 120.6(4) . . ?
C9 C8 C4 122.0(4) . . ?
C5 C4 C3 117.3(4) . . ?
C5 C4 C8 120.6(4) . . ?
C3 C4 C8 122.0(4) . . ?
C12 C11 C16 119.8(4) . . ?
C12 C11 P1 119.5(4) . . ?
C16 C11 P1 120.7(4) . . ?
C22 C21 C26 119.2(5) . . ?
C22 C21 P1 118.7(4) . . ?
C26 C21 P1 122.1(4) . . ?
C6 C1 C2 118.3(4) . . ?
C6 C1 S1 117.7(3) . . ?
C2 C1 S1 123.9(3) . . ?
C7 C7 C8 121.4(3) 2_656 . ?
C23 C24 C25 119.7(5) . . ?
C1 C6 C5 120.8(4) . . ?
C16 C15 C14 120.1(5) . . ?
C11 C16 C15 119.9(5) . . ?
C6 C5 C4 121.4(4) . . ?
C9 C9 C8 121.2(3) 2_656 . ?
C21 C22 C23 120.4(5) . . ?
C14 C13 C12 120.4(5) . . ?
C13 C14 C15 119.9(5) . . ?
C25 C26 C21 119.9(5) . . ?
C24 C23 C22 120.2(5) . . ?
C24 C25 C26 120.7(5) . . ?
C36 C31 C32 119.1(5) . . ?
C36 C31 P1 123.8(4) . . ?
C32 C31 P1 117.0(4) . . ?
C31 C32 C33 120.4(5) . . ?
C31 C36 C35 120.1(5) . . ?
C34 C33 C32 120.1(5) . . ?
C33 C34 C35 119.5(5) . . ?
C34 C35 C36 120.8(5) . . ?
C101 Cl4 Cl5 156.3(6) . . ?
C100 Cl3 Cl5 57.5(7) . . ?
Cl1 C100 Cl3 112.9(7) . . ?
Cl1 C100 Cl5 94.2(8) . . ?
Cl3 C100 Cl5 75.5(6) . . ?
Cl2 C101 Cl4 110.5(8) . . ?
Cl4 Cl5 C100 109.6(5) . . ?
Cl4 Cl5 Cl3 117.3(4) . . ?
C100 Cl5 Cl3 47.0(4) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         2.255
_refine_diff_density_min         -0.756
_refine_diff_density_rms         0.135
_database_code_depnum_ccdc_archive 'CCDC 976386'

###############################################


data_c310

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H42 Au2 P2 S2'
_chemical_formula_weight         1162.83

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           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                   14.4157(2)
_cell_length_b                   9.02110(10)
_cell_length_c                   16.5956(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.8050(10)
_cell_angle_gamma                90.00
_cell_volume                     2076.59(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    15203
_cell_measurement_theta_min      4.1640
_cell_measurement_theta_max      28.7970

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1124
_exptl_absorpt_coefficient_mu    7.270
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.2743
_exptl_absorpt_correction_T_max  0.4758
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω rotations'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20406
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0140
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         4.17
_diffrn_reflns_theta_max         25.50
_reflns_number_total             3838
_reflns_number_gt                3686
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0154P)²+2.1312P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3838
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0143
_refine_ls_R_factor_gt           0.0133
_refine_ls_wR_factor_ref         0.0333
_refine_ls_wR_factor_gt          0.0330
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_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 0.747730(6) 0.590447(9) 1.016794(5) 0.01371(4) Uani 1 1 d . . .
P1 P 0.75511(4) 0.72977(6) 0.90566(4) 0.01242(12) Uani 1 1 d . . .
C1 C 0.85225(15) 0.6940(3) 0.85831(14) 0.0148(5) Uani 1 1 d . . .
C2 C 0.91430(17) 0.5752(3) 0.88469(17) 0.0215(5) Uani 1 1 d . . .
H2 H 0.9035 0.5078 0.9252 0.026 Uiso 1 1 calc R . .
C3 C 0.99240(18) 0.5552(3) 0.85174(19) 0.0274(6) Uani 1 1 d . . .
H3 H 1.0354 0.4747 0.8703 0.033 Uiso 1 1 calc R . .
C4 C 1.00778(17) 0.6519(3) 0.79214(17) 0.0253(6) Uani 1 1 d . . .
H4 H 1.0607 0.6370 0.7693 0.030 Uiso 1 1 calc R . .
C5 C 0.94625(17) 0.7703(3) 0.76577(16) 0.0230(5) Uani 1 1 d . . .
H5 H 0.9569 0.8367 0.7248 0.028 Uiso 1 1 calc R . .
C6 C 0.86928(16) 0.7923(3) 0.79888(15) 0.0179(5) Uani 1 1 d . . .
H6 H 0.8277 0.8747 0.7812 0.022 Uiso 1 1 calc R . .
C11 C 0.64291(15) 0.7204(2) 0.82320(14) 0.0138(5) Uani 1 1 d . . .
C12 C 0.63793(16) 0.6891(3) 0.74040(15) 0.0175(5) Uani 1 1 d . . .
H12 H 0.6954 0.6778 0.7235 0.021 Uiso 1 1 calc R . .
C13 C 0.54909(17) 0.6741(3) 0.68230(16) 0.0223(5) Uani 1 1 d . . .
H13 H 0.5459 0.6501 0.6259 0.027 Uiso 1 1 calc R . .
C14 C 0.46480(17) 0.6937(3) 0.70580(16) 0.0217(5) Uani 1 1 d . . .
H14 H 0.4041 0.6849 0.6654 0.026 Uiso 1 1 calc R . .
C15 C 0.46920(17) 0.7261(3) 0.78792(17) 0.0236(6) Uani 1 1 d . . .
H15 H 0.4116 0.7404 0.8042 0.028 Uiso 1 1 calc R . .
C16 C 0.55799(17) 0.7377(3) 0.84665(16) 0.0224(5) Uani 1 1 d . . .
H16 H 0.5609 0.7576 0.9035 0.027 Uiso 1 1 calc R . .
C21 C 0.77533(16) 0.9229(2) 0.93593(14) 0.0130(5) Uani 1 1 d . . .
C22 C 0.71362(16) 1.0391(3) 0.90184(15) 0.0158(5) Uani 1 1 d . . .
H22 H 0.6559 1.0207 0.8590 0.019 Uiso 1 1 calc R . .
C23 C 0.73736(17) 1.1828(3) 0.93112(15) 0.0186(5) Uani 1 1 d . . .
H23 H 0.6956 1.2626 0.9079 0.022 Uiso 1 1 calc R . .
C24 C 0.82089(17) 1.2102(3) 0.99358(15) 0.0196(5) Uani 1 1 d . . .
H24 H 0.8358 1.3085 1.0135 0.023 Uiso 1 1 calc R . .
C25 C 0.88310(18) 1.0952(3) 1.02731(17) 0.0229(6) Uani 1 1 d . . .
H25 H 0.9410 1.1143 1.0697 0.027 Uiso 1 1 calc R . .
C26 C 0.85999(17) 0.9525(3) 0.99860(16) 0.0202(5) Uani 1 1 d . . .
H26 H 0.9023 0.8734 1.0218 0.024 Uiso 1 1 calc R . .
S1 S 0.72947(4) 0.45310(7) 1.12849(4) 0.01860(12) Uani 1 1 d . . .
C30 C 0.68448(18) 0.5930(3) 1.18942(16) 0.0196(5) Uani 1 1 d . . .
H30A H 0.6429 0.5437 1.2200 0.024 Uiso 1 1 calc R . .
H30B H 0.7399 0.6374 1.2314 0.024 Uiso 1 1 calc R . .
C31 C 0.62788(16) 0.7146(3) 1.13533(15) 0.0169(5) Uani 1 1 d . . .
C32 C 0.53685(16) 0.6886(3) 1.08159(15) 0.0172(5) Uani 1 1 d . . .
H32 H 0.5085 0.5933 1.0803 0.021 Uiso 1 1 calc R . .
C33 C 0.48715(16) 0.7990(3) 1.03011(15) 0.0167(5) Uani 1 1 d . . .
H33 H 0.4248 0.7783 0.9945 0.020 Uiso 1 1 calc R . .
C34 C 0.52636(16) 0.9409(3) 1.02901(15) 0.0151(5) Uani 1 1 d . . .
C35 C 0.61759(17) 0.9664(3) 1.08353(16) 0.0193(5) Uani 1 1 d . . .
H35 H 0.6463 1.0615 1.0849 0.023 Uiso 1 1 calc R . .
C36 C 0.66721(17) 0.8551(3) 1.13586(15) 0.0190(5) Uani 1 1 d . . .
H36 H 0.7290 0.8756 1.1725 0.023 Uiso 1 1 calc R . .


_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 2.2582(6) . ?
Au1 S1 2.3035(6) . ?
P1 C1 1.812(2) . ?
P1 C11 1.814(2) . ?
P1 C21 1.814(2) . ?
C1 C2 1.388(3) . ?
C1 C6 1.397(3) . ?
C2 C3 1.391(4) . ?
C3 C4 1.381(4) . ?
C4 C5 1.381(4) . ?
C5 C6 1.380(3) . ?
C11 C12 1.385(3) . ?
C11 C16 1.391(3) . ?
C12 C13 1.384(3) . ?
C13 C14 1.385(3) . ?
C14 C15 1.378(4) . ?
C15 C16 1.386(3) . ?
C21 C22 1.392(3) . ?
C21 C26 1.397(3) . ?
C22 C23 1.393(3) . ?
C23 C24 1.381(3) . ?
C24 C25 1.386(3) . ?
C25 C26 1.381(3) . ?
S1 C30 1.842(2) . ?
C30 C31 1.508(3) . ?
C31 C36 1.388(4) . ?
C31 C32 1.391(3) . ?
C32 C33 1.379(3) . ?
C33 C34 1.401(3) . ?
C34 C35 1.398(3) . ?
C34 C34 1.498(5) 3_677 ?
C35 C36 1.391(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 S1 176.13(2) . . ?
C1 P1 C11 107.46(10) . . ?
C1 P1 C21 101.92(10) . . ?
C11 P1 C21 107.25(10) . . ?
C1 P1 Au1 117.97(8) . . ?
C11 P1 Au1 111.08(7) . . ?
C21 P1 Au1 110.36(8) . . ?
C2 C1 C6 119.4(2) . . ?
C2 C1 P1 120.58(19) . . ?
C6 C1 P1 119.89(17) . . ?
C1 C2 C3 119.8(2) . . ?
C4 C3 C2 120.3(2) . . ?
C5 C4 C3 120.1(2) . . ?
C6 C5 C4 120.1(2) . . ?
C5 C6 C1 120.3(2) . . ?
C12 C11 C16 119.3(2) . . ?
C12 C11 P1 123.54(17) . . ?
C16 C11 P1 117.10(18) . . ?
C13 C12 C11 119.9(2) . . ?
C12 C13 C14 120.5(2) . . ?
C15 C14 C13 119.9(2) . . ?
C14 C15 C16 119.8(2) . . ?
C15 C16 C11 120.6(2) . . ?
C22 C21 C26 119.4(2) . . ?
C22 C21 P1 125.04(18) . . ?
C26 C21 P1 115.58(17) . . ?
C21 C22 C23 119.3(2) . . ?
C24 C23 C22 120.7(2) . . ?
C23 C24 C25 120.3(2) . . ?
C26 C25 C24 119.3(2) . . ?
C25 C26 C21 121.0(2) . . ?
C30 S1 Au1 101.99(8) . . ?
C31 C30 S1 112.69(17) . . ?
C36 C31 C32 118.1(2) . . ?
C36 C31 C30 120.4(2) . . ?
C32 C31 C30 121.5(2) . . ?
C33 C32 C31 121.1(2) . . ?
C32 C33 C34 121.6(2) . . ?
C35 C34 C33 117.0(2) . . ?
C35 C34 C34 121.5(3) . 3_677 ?
C33 C34 C34 121.5(3) . 3_677 ?
C36 C35 C34 121.2(2) . . ?
C31 C36 C35 121.0(2) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.430
_refine_diff_density_min         -0.353
_refine_diff_density_rms         0.069
_database_code_depnum_ccdc_archive 'CCDC 976387'

###########################################


data_yo3aas

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H36 Au2 N2 P2 S2'
_chemical_formula_weight         1136.76

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'
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   C2/c

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

_cell_length_a                   14.480(3)
_cell_length_b                   15.850(3)
_cell_length_c                   16.890(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.86(3)
_cell_angle_gamma                90.00
_cell_volume                     3840.0(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6152
_cell_measurement_theta_min      2.358
_cell_measurement_theta_max      28.18

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2184
_exptl_absorpt_coefficient_mu    7.862
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.2541
_exptl_absorpt_correction_T_max  0.3319
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24212
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.91
_diffrn_reflns_theta_max         25.50
_reflns_number_total             3558
_reflns_number_gt                2750
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       SMART
_computing_cell_refinement       SAINT+
_computing_data_reduction        SAINT+
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 In the pyridine ring the nitrogen and carbon atoms fiffering by 180 rotations
 are disordered and have been refined with mixed scattering factors.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0569P)²+8.6143P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3558
_refine_ls_number_parameters     245
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0998
_refine_ls_wR_factor_gt          0.0905
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.000
_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 0.420651(18) 0.167383(18) 0.681337(17) 0.03139(13) Uani 1 1 d . . .
S1 S 0.36785(13) 0.07953(13) 0.77270(13) 0.0398(5) Uani 1 1 d . . .
C1 C 0.2467(4) 0.0979(4) 0.7618(5) 0.0317(18) Uani 1 1 d . . .
C2 C 0.1881(5) 0.0827(6) 0.6914(5) 0.051(2) Uani 1 1 d . . .
H2 H 0.2148 0.0692 0.6447 0.061 Uiso 1 1 calc R . .
C3 C 0.0933(5) 0.0864(6) 0.6866(5) 0.046(2) Uani 1 1 d . . .
H3 H 0.0560 0.0743 0.6372 0.055 Uiso 1 1 calc R . .
C4 C 0.0509(5) 0.1072(4) 0.7519(5) 0.0321(18) Uani 1 1 d . . .
C5 C 0.1094(6) 0.1257(6) 0.8210(5) 0.047(2) Uani 1 1 d . . .
H5 H 0.0829 0.1429 0.8669 0.056 Uiso 1 1 calc R . .
C6 C 0.2042(6) 0.1201(6) 0.8260(6) 0.051(2) Uani 1 1 d . . .
H6 H 0.2415 0.1320 0.8755 0.062 Uiso 1 1 calc R . .
P1 P 0.47074(13) 0.25299(13) 0.59032(12) 0.0343(5) Uani 1 1 d . A .
C11 C 0.3938(5) 0.3403(5) 0.5622(5) 0.0359(19) Uani 1 1 d . . .
C12 C 0.3003(5) 0.3337(5) 0.5708(5) 0.043(2) Uani 1 1 d . . .
H12 H 0.2773 0.2831 0.5908 0.051 Uiso 1 1 calc R . .
C13 C 0.2405(6) 0.4004(5) 0.5504(6) 0.052(2) Uani 1 1 d . . .
H13 H 0.1763 0.3955 0.5559 0.062 Uiso 1 1 calc R . .
C14 C 0.2734(6) 0.4724(6) 0.5227(6) 0.056(3) Uani 1 1 d . . .
H14 H 0.2328 0.5186 0.5083 0.068 Uiso 1 1 calc R . .
C15 C 0.3662(7) 0.4783(6) 0.5154(7) 0.077(4) Uani 1 1 d . . .
H15 H 0.3897 0.5290 0.4958 0.093 Uiso 1 1 calc R . .
C16 C 0.4248(5) 0.4131(5) 0.5357(6) 0.050(2) Uani 1 1 d . . .
H16 H 0.4891 0.4191 0.5310 0.060 Uiso 1 1 calc R . .
C21 C 0.4827(5) 0.1990(5) 0.4984(5) 0.0364(19) Uani 1 1 d . . .
C22 C 0.4474(6) 0.2304(5) 0.4247(5) 0.047(2) Uani 1 1 d . . .
H22 H 0.4171 0.2837 0.4208 0.056 Uiso 1 1 calc R . .
C23 C 0.4554(7) 0.1858(6) 0.3571(6) 0.054(2) Uani 1 1 d . . .
H23 H 0.4300 0.2079 0.3065 0.065 Uiso 1 1 calc R . .
C24 C 0.4991(6) 0.1102(6) 0.3612(5) 0.050(2) Uani 1 1 d . . .
H24 H 0.5045 0.0797 0.3136 0.060 Uiso 1 1 calc R . .
C25 C 0.5358(6) 0.0777(6) 0.4344(5) 0.046(2) Uani 1 1 d . . .
H25 H 0.5662 0.0244 0.4374 0.056 Uiso 1 1 calc R . .
C26 C 0.5285(5) 0.1217(5) 0.5026(5) 0.0371(19) Uani 1 1 d . . .
H26 H 0.5547 0.0996 0.5530 0.045 Uiso 1 1 calc R . .
C31 C 0.5831(5) 0.2999(5) 0.6223(5) 0.0342(18) Uani 1 1 d . . .
N1A N 0.5936(6) 0.3420(5) 0.6918(5) 0.053(3) Uani 0.484(9) 1 d P A 1
C32B C 0.6540(5) 0.2946(5) 0.5767(6) 0.061(3) Uani 0.516(9) 1 d P A 1
H32B H 0.6459 0.2667 0.5264 0.073 Uiso 0.516(9) 1 calc PR A 1
N1B N 0.6540(5) 0.2946(5) 0.5767(6) 0.061(3) Uani 0.516(9) 1 d P A 2
C32A C 0.5936(6) 0.3420(5) 0.6918(5) 0.053(3) Uani 0.484(9) 1 d P A 2
H32A H 0.5428 0.3466 0.7217 0.064 Uiso 0.484(9) 1 calc PR A 2
C33 C 0.7381(7) 0.3315(5) 0.6067(8) 0.068(3) Uani 1 1 d . . .
H33 H 0.7887 0.3279 0.5765 0.082 Uiso 1 1 d R A .
C34 C 0.7482(8) 0.3735(6) 0.6786(8) 0.072(4) Uani 1 1 d . A .
H34 H 0.8069 0.3982 0.6974 0.086 Uiso 1 1 d R . .
C35 C 0.6767(8) 0.3779(7) 0.7194(6) 0.071(3) Uani 1 1 d . . .
H35 H 0.6861 0.4068 0.7692 0.085 Uiso 1 1 d R A .


_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 2.244(2) . ?
Au1 S1 2.286(2) . ?
Au1 Au1 3.0336(11) 2_656 ?
S1 C1 1.763(7) . ?
C1 C6 1.364(11) . ?
C1 C2 1.384(10) . ?
C2 C3 1.364(11) . ?
C3 C4 1.373(11) . ?
C4 C5 1.377(10) . ?
C4 C4 1.467(14) 2_556 ?
C5 C6 1.368(11) . ?
P1 C11 1.799(8) . ?
P1 C21 1.801(8) . ?
P1 C31 1.803(7) . ?
C11 C16 1.336(11) . ?
C11 C12 1.385(11) . ?
C12 C13 1.380(11) . ?
C13 C14 1.345(12) . ?
C14 C15 1.369(13) . ?
C15 C16 1.351(12) . ?
C21 C22 1.374(10) . ?
C21 C26 1.390(11) . ?
C22 C23 1.361(12) . ?
C23 C24 1.351(12) . ?
C24 C25 1.378(12) . ?
C25 C26 1.364(11) . ?
C31 N1A 1.340(11) . ?
C31 C32B 1.369(11) . ?
N1A C35 1.356(12) . ?
C32B C33 1.382(12) . ?
C33 C34 1.375(15) . ?
C34 C35 1.322(16) . ?

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 179.16(7) . . ?
P1 Au1 Au1 103.99(5) . 2_656 ?
S1 Au1 Au1 76.83(5) . 2_656 ?
C1 S1 Au1 104.4(2) . . ?
C6 C1 C2 116.0(7) . . ?
C6 C1 S1 120.6(6) . . ?
C2 C1 S1 123.1(6) . . ?
C3 C2 C1 122.5(8) . . ?
C2 C3 C4 121.3(7) . . ?
C3 C4 C5 116.2(7) . . ?
C3 C4 C4 121.5(8) . 2_556 ?
C5 C4 C4 122.3(9) . 2_556 ?
C6 C5 C4 122.3(8) . . ?
C1 C6 C5 121.7(8) . . ?
C11 P1 C21 105.5(4) . . ?
C11 P1 C31 105.2(3) . . ?
C21 P1 C31 105.4(4) . . ?
C11 P1 Au1 113.6(3) . . ?
C21 P1 Au1 112.4(3) . . ?
C31 P1 Au1 114.0(3) . . ?
C16 C11 C12 118.5(7) . . ?
C16 C11 P1 121.9(6) . . ?
C12 C11 P1 119.5(6) . . ?
C13 C12 C11 120.4(8) . . ?
C14 C13 C12 119.8(8) . . ?
C13 C14 C15 119.2(8) . . ?
C16 C15 C14 121.1(9) . . ?
C11 C16 C15 121.1(8) . . ?
C22 C21 C26 118.8(8) . . ?
C22 C21 P1 122.8(7) . . ?
C26 C21 P1 118.4(6) . . ?
C23 C22 C21 120.6(8) . . ?
C24 C23 C22 120.7(9) . . ?
C23 C24 C25 119.9(9) . . ?
C26 C25 C24 120.1(9) . . ?
C25 C26 C21 119.9(8) . . ?
N1A C31 C32B 121.3(7) . . ?
N1A C31 P1 117.2(7) . . ?
C32B C31 P1 121.5(6) . . ?
C31 N1A C35 120.0(10) . . ?
C31 C32B C33 117.2(9) . . ?
C34 C33 C32B 120.8(10) . . ?
C35 C34 C33 119.3(9) . . ?
C34 C35 N1A 121.3(11) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.600
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.167
_database_code_depnum_ccdc_archive 'CCDC 976388'

###########################################


data_c302

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H40 Au2 N2 P2 S2'
_chemical_formula_weight         1212.85

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 '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                   8.0066(16)
_cell_length_b                   10.946(2)
_cell_length_c                   13.085(3)
_cell_angle_alpha                83.58(3)
_cell_angle_beta                 73.91(3)
_cell_angle_gamma                80.08(3)
_cell_volume                     1082.9(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1987
_cell_measurement_theta_min      4.2148
_cell_measurement_theta_max      28.1356

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             586
_exptl_absorpt_coefficient_mu    6.976
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.6409
_exptl_absorpt_correction_T_max  0.7218
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω rotations'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6385
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_sigmaI/netI    0.1126
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_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         4.22
_diffrn_reflns_theta_max         25.50
_reflns_number_total             4001
_reflns_number_gt                3151
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0124P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4001
_refine_ls_number_parameters     271
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_ref         0.0790
_refine_ls_wR_factor_gt          0.0692
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.000
_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 0.50925(5) 0.33354(4) 0.35604(3) 0.02582(11) Uani 1 1 d . . .
P1 P 0.3922(3) 0.5297(2) 0.31592(16) 0.0224(5) Uani 1 1 d . . .
C1 C 0.2089(10) 0.5954(7) 0.4214(6) 0.0209(18) Uani 1 1 d U . .
C2 C 0.2036(10) 0.5510(7) 0.5250(6) 0.0241(19) Uani 1 1 d U . .
H2 H 0.2900 0.4848 0.5386 0.029 Uiso 1 1 calc R . .
C3 C 0.0729(10) 0.6023(8) 0.6093(6) 0.030(2) Uani 1 1 d U . .
H3 H 0.0679 0.5712 0.6807 0.036 Uiso 1 1 calc R . .
C4 C -0.0509(11) 0.7001(8) 0.5872(7) 0.029(2) Uani 1 1 d U . .
H4 H -0.1382 0.7391 0.6440 0.035 Uiso 1 1 calc R . .
C5 C -0.0473(11) 0.7404(8) 0.4838(6) 0.030(2) Uani 1 1 d U . .
H5 H -0.1358 0.8045 0.4695 0.036 Uiso 1 1 calc R . .
C6 C 0.0822(10) 0.6895(8) 0.4008(6) 0.0239(19) Uani 1 1 d U . .
H6 H 0.0844 0.7190 0.3294 0.029 Uiso 1 1 calc R . .
N1 N 0.7058(9) 0.6030(7) 0.2201(5) 0.037(2) Uani 1 1 d . . .
C11 C 0.5501(10) 0.6393(8) 0.2926(6) 0.026(2) Uani 1 1 d U . .
C12 C 0.5194(10) 0.7488(8) 0.3398(6) 0.0240(19) Uani 1 1 d U . .
H12 H 0.4109 0.7709 0.3909 0.029 Uiso 1 1 calc R . .
C13 C 0.6416(10) 0.8266(8) 0.3148(6) 0.031(2) Uani 1 1 d U . .
H13 H 0.6200 0.9029 0.3478 0.037 Uiso 1 1 calc R . .
C14 C 0.7990(11) 0.7922(9) 0.2399(6) 0.034(2) Uani 1 1 d U . .
H14 H 0.8877 0.8444 0.2203 0.041 Uiso 1 1 calc R . .
C15 C 0.8231(10) 0.6819(9) 0.1950(6) 0.030(2) Uani 1 1 d U . .
H15 H 0.9301 0.6598 0.1426 0.036 Uiso 1 1 calc R . .
C21 C 0.3272(9) 0.5502(8) 0.1926(6) 0.0201(18) Uani 1 1 d U . .
C22 C 0.3222(10) 0.6650(8) 0.1336(6) 0.030(2) Uani 1 1 d U . .
H22 H 0.3452 0.7354 0.1610 0.035 Uiso 1 1 calc R . .
C23 C 0.2846(10) 0.6766(9) 0.0370(6) 0.030(2) Uani 1 1 d U . .
H23 H 0.2833 0.7547 -0.0029 0.036 Uiso 1 1 calc R . .
C24 C 0.2484(11) 0.5753(10) -0.0032(7) 0.039(2) Uani 1 1 d U . .
H24 H 0.2225 0.5836 -0.0705 0.046 Uiso 1 1 calc R . .
C25 C 0.2501(11) 0.4624(10) 0.0550(7) 0.038(2) Uani 1 1 d U . .
H25 H 0.2235 0.3929 0.0284 0.046 Uiso 1 1 calc R . .
C26 C 0.2900(10) 0.4503(8) 0.1508(6) 0.030(2) Uani 1 1 d U . .
H26 H 0.2922 0.3717 0.1897 0.036 Uiso 1 1 calc R . .
S1 S 0.6300(3) 0.1361(2) 0.40153(16) 0.0301(6) Uani 1 1 d . . .
C27 C 0.8363(10) 0.1110(8) 0.3045(6) 0.027(2) Uani 1 1 d U . .
C28 C 0.9787(11) 0.0400(7) 0.3334(6) 0.027(2) Uani 1 1 d U . .
H28 H 0.9648 0.0092 0.4056 0.033 Uiso 1 1 calc R . .
C29 C 1.1387(10) 0.0126(7) 0.2621(6) 0.0243(19) Uani 1 1 d U . .
H29 H 1.2329 -0.0376 0.2848 0.029 Uiso 1 1 calc R . .
C30 C 1.1635(10) 0.0589(8) 0.1549(6) 0.0266(19) Uani 1 1 d U . .
C31 C 1.0209(10) 0.1301(8) 0.1248(6) 0.029(2) Uani 1 1 d U . .
H31 H 1.0343 0.1614 0.0528 0.035 Uiso 1 1 calc R . .
C32 C 0.8617(11) 0.1556(8) 0.1976(6) 0.030(2) Uani 1 1 d U . .
H32 H 0.7665 0.2045 0.1752 0.036 Uiso 1 1 calc R . .
C33 C 1.3371(11) 0.0301(8) 0.0751(6) 0.029(2) Uani 1 1 d U . .
C34 C 1.4950(11) 0.0167(8) 0.1005(6) 0.029(2) Uani 1 1 d U . .
H34 H 1.4924 0.0265 0.1722 0.035 Uiso 1 1 calc R . .
C35 C 1.3434(11) 0.0102(8) -0.0291(6) 0.031(2) Uani 1 1 d U . .
H35 H 1.2383 0.0150 -0.0506 0.037 Uiso 1 1 calc R . .


_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 2.257(2) . ?
Au1 S1 2.296(2) . ?
P1 C21 1.808(8) . ?
P1 C1 1.820(7) . ?
P1 C11 1.832(9) . ?
C1 C6 1.376(10) . ?
C1 C2 1.379(9) . ?
C2 C3 1.387(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.392(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.369(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.370(9) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
N1 C15 1.335(10) . ?
N1 C11 1.367(9) . ?
C11 C12 1.363(11) . ?
C12 C13 1.355(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.387(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.362(11) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C21 C26 1.385(11) . ?
C21 C22 1.400(11) . ?
C22 C23 1.367(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.377(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.364(10) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
S1 C27 1.782(7) . ?
C27 C28 1.383(10) . ?
C27 C32 1.400(10) . ?
C28 C29 1.367(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.410(10) . ?
C29 H29 0.9500 . ?
C30 C31 1.393(10) . ?
C30 C33 1.496(10) . ?
C31 C32 1.369(9) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.374(10) . ?
C33 C35 1.391(10) . ?
C34 C35 1.376(10) 2_855 ?
C34 H34 0.9500 . ?
C35 C34 1.376(10) 2_855 ?
C35 H35 0.9500 . ?

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 178.16(9) . . ?
C21 P1 C1 108.8(4) . . ?
C21 P1 C11 102.2(4) . . ?
C1 P1 C11 103.7(4) . . ?
C21 P1 Au1 114.3(3) . . ?
C1 P1 Au1 114.1(3) . . ?
C11 P1 Au1 112.4(3) . . ?
C6 C1 C2 120.2(7) . . ?
C6 C1 P1 122.1(6) . . ?
C2 C1 P1 117.7(6) . . ?
C1 C2 C3 120.5(7) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C2 C3 C4 118.6(8) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C5 C4 C3 120.2(8) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.9(8) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 119.6(7) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
C15 N1 C11 116.8(8) . . ?
C12 C11 N1 121.4(8) . . ?
C12 C11 P1 124.9(6) . . ?
N1 C11 P1 113.8(6) . . ?
C13 C12 C11 120.9(8) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C14 118.4(8) . . ?
C12 C13 H13 120.8 . . ?
C14 C13 H13 120.8 . . ?
C15 C14 C13 118.4(8) . . ?
C15 C14 H14 120.8 . . ?
C13 C14 H14 120.8 . . ?
N1 C15 C14 124.0(8) . . ?
N1 C15 H15 118.0 . . ?
C14 C15 H15 118.0 . . ?
C26 C21 C22 118.0(8) . . ?
C26 C21 P1 120.6(7) . . ?
C22 C21 P1 121.3(7) . . ?
C23 C22 C21 120.5(9) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 120.4(9) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C25 C24 C23 119.5(8) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C26 C25 C24 120.1(9) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C21 121.5(9) . . ?
C25 C26 H26 119.3 . . ?
C21 C26 H26 119.3 . . ?
C27 S1 Au1 104.1(3) . . ?
C28 C27 C32 117.2(7) . . ?
C28 C27 S1 119.5(6) . . ?
C32 C27 S1 123.2(6) . . ?
C29 C28 C27 122.6(7) . . ?
C29 C28 H28 118.7 . . ?
C27 C28 H28 118.7 . . ?
C28 C29 C30 119.8(7) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C31 C30 C29 118.1(7) . . ?
C31 C30 C33 121.0(7) . . ?
C29 C30 C33 120.9(7) . . ?
C32 C31 C30 121.0(7) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C31 C32 C27 121.3(8) . . ?
C31 C32 H32 119.3 . . ?
C27 C32 H32 119.3 . . ?
C34 C33 C35 116.9(7) . . ?
C34 C33 C30 123.0(7) . . ?
C35 C33 C30 120.1(8) . . ?
C33 C34 C35 124.4(7) . 2_855 ?
C33 C34 H34 117.8 . . ?
C35 C34 H34 117.8 2_855 . ?
C34 C35 C33 118.7(8) 2_855 . ?
C34 C35 H35 120.7 2_855 . ?
C33 C35 H35 120.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
S1 Au1 P1 C21 176(3) . . . . ?
S1 Au1 P1 C1 -58(3) . . . . ?
S1 Au1 P1 C11 60(3) . . . . ?
C21 P1 C1 C6 -26.2(8) . . . . ?
C11 P1 C1 C6 82.1(8) . . . . ?
Au1 P1 C1 C6 -155.3(6) . . . . ?
C21 P1 C1 C2 156.2(6) . . . . ?
C11 P1 C1 C2 -95.5(7) . . . . ?
Au1 P1 C1 C2 27.1(7) . . . . ?
C6 C1 C2 C3 -1.4(12) . . . . ?
P1 C1 C2 C3 176.3(6) . . . . ?
C1 C2 C3 C4 -0.7(12) . . . . ?
C2 C3 C4 C5 2.9(12) . . . . ?
C3 C4 C5 C6 -3.1(13) . . . . ?
C4 C5 C6 C1 0.9(12) . . . . ?
C2 C1 C6 C5 1.3(12) . . . . ?
P1 C1 C6 C5 -176.2(6) . . . . ?
C15 N1 C11 C12 -2.4(12) . . . . ?
C15 N1 C11 P1 176.4(6) . . . . ?
C21 P1 C11 C12 107.6(7) . . . . ?
C1 P1 C11 C12 -5.5(8) . . . . ?
Au1 P1 C11 C12 -129.3(7) . . . . ?
C21 P1 C11 N1 -71.1(6) . . . . ?
C1 P1 C11 N1 175.7(6) . . . . ?
Au1 P1 C11 N1 51.9(6) . . . . ?
N1 C11 C12 C13 1.2(13) . . . . ?
P1 C11 C12 C13 -177.5(6) . . . . ?
C11 C12 C13 C14 0.1(13) . . . . ?
C12 C13 C14 C15 0.0(12) . . . . ?
C11 N1 C15 C14 2.5(13) . . . . ?
C13 C14 C15 N1 -1.4(13) . . . . ?
C1 P1 C21 C26 -105.7(6) . . . . ?
C11 P1 C21 C26 145.0(6) . . . . ?
Au1 P1 C21 C26 23.3(7) . . . . ?
C1 P1 C21 C22 77.9(7) . . . . ?
C11 P1 C21 C22 -31.4(7) . . . . ?
Au1 P1 C21 C22 -153.2(5) . . . . ?
C26 C21 C22 C23 -1.1(11) . . . . ?
P1 C21 C22 C23 175.4(6) . . . . ?
C21 C22 C23 C24 0.9(12) . . . . ?
C22 C23 C24 C25 0.1(13) . . . . ?
C23 C24 C25 C26 -1.0(13) . . . . ?
C24 C25 C26 C21 0.8(13) . . . . ?
C22 C21 C26 C25 0.2(12) . . . . ?
P1 C21 C26 C25 -176.4(6) . . . . ?
P1 Au1 S1 C27 -107(3) . . . . ?
Au1 S1 C27 C28 145.8(7) . . . . ?
Au1 S1 C27 C32 -36.8(8) . . . . ?
C32 C27 C28 C29 -0.4(13) . . . . ?
S1 C27 C28 C29 177.2(6) . . . . ?
C27 C28 C29 C30 1.0(13) . . . . ?
C28 C29 C30 C31 -1.2(12) . . . . ?
C28 C29 C30 C33 -179.9(8) . . . . ?
C29 C30 C31 C32 0.8(13) . . . . ?
C33 C30 C31 C32 179.5(8) . . . . ?
C30 C31 C32 C27 -0.2(14) . . . . ?
C28 C27 C32 C31 -0.1(13) . . . . ?
S1 C27 C32 C31 -177.5(7) . . . . ?
C31 C30 C33 C34 147.6(9) . . . . ?
C29 C30 C33 C34 -33.8(13) . . . . ?
C31 C30 C33 C35 -35.3(13) . . . . ?
C29 C30 C33 C35 143.3(8) . . . . ?
C35 C33 C34 C35 2.6(15) . . . 2_855 ?
C30 C33 C34 C35 179.8(8) . . . 2_855 ?
C34 C33 C35 C34 -2.5(14) . . . 2_855 ?
C30 C33 C35 C34 -179.7(8) . . . 2_855 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.209
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.203

######################################END
_database_code_depnum_ccdc_archive 'CCDC 976389'
