#Supplementary Material (ESI) for Dalton Transactions
#This journal is (c) The Royal Society of Chemistry 2001

data_pat2 (Compound 6)

_database_code_CSD	165245


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C51 H46 Au2 Cl2 O4 P2 S2' 
_chemical_formula_weight          1313.77 

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' 
'O'  'O'   0.0106   0.0060 
'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' 
'P'  'P'   0.1023   0.0942 
'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            triclinic
_symmetry_space_group_name_H-M    P-1

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

_cell_length_a                    12.4984(2) 
_cell_length_b                    13.1225(3) 
_cell_length_c                    15.9587(3) 
_cell_angle_alpha                 90.213(1) 
_cell_angle_beta                  91.173(1) 
_cell_angle_gamma                 101.733(1) 
_cell_volume                      2562.08(9) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     143(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        plate
_exptl_crystal_colour             light-yellow
_exptl_crystal_size_max           0.35 
_exptl_crystal_size_mid           0.30 
_exptl_crystal_size_min           0.05 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.703 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1276 
_exptl_absorpt_coefficient_mu     6.010 
_exptl_absorpt_correction_type    'DELABS (Platon)'
_exptl_absorpt_correction_T_min   0.2275 
_exptl_absorpt_correction_T_max   0.7532 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       143(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   'Nonius DIP 2020'
_diffrn_measurement_method        'phi rotation' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             37101 
_diffrn_reflns_av_R_equivalents   0.0435 
_diffrn_reflns_av_sigmaI/netI     0.0502 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          2.55 
_diffrn_reflns_theta_max          26.41 
_reflns_number_total              9698 
_reflns_number_gt                 9046 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'XPRESS (Nonius)'
_computing_cell_refinement        'SCALEPACK (Nonius)' 
_computing_data_reduction         'DENZO (NONIUS)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     SHELXTL-PLUS 
_computing_publication_material   'SHELXL-97 (Sheldrick, 1997)' 

_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. 
Beside one molecule of methylenechloride which was found and refined without
problems the crystal contains another residual electron density which could 
be not identified and was treated with 'SQUEEZE' from 'PLATON.
; 

_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^+6.7402P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     riding 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          9698 
_refine_ls_number_parameters      568 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0342 
_refine_ls_R_factor_gt            0.0307 
_refine_ls_wR_factor_ref          0.0737 
_refine_ls_wR_factor_gt           0.0717 
_refine_ls_goodness_of_fit_ref    1.057 
_refine_ls_restrained_S_all       1.057 
_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 0.170913(12) 0.694512(12) 0.316788(10) 0.01636(5) Uani 1 1 d . . . 
Au2 Au 0.255179(13) 0.575434(12) 0.185730(10) 0.01558(5) Uani 1 1 d . . . 
S1 S 0.01457(9) 0.68605(9) 0.23707(7) 0.0198(2) Uani 1 1 d . . . 
S2 S 0.32459(9) 0.69213(9) 0.39729(7) 0.0183(2) Uani 1 1 d . . . 
P1 P 0.19510(9) 0.40610(8) 0.22935(7) 0.0144(2) Uani 1 1 d . . . 
P2 P 0.35380(9) 0.70808(8) 0.10751(7) 0.0153(2) Uani 1 1 d . . . 
O1 O 0.0030(3) 0.7876(3) 0.2054(2) 0.0353(9) Uani 1 1 d . . . 
O2 O 0.0055(3) 0.6036(3) 0.1734(2) 0.0307(8) Uani 1 1 d . . . 
O3 O 0.2995(3) 0.6885(3) 0.4868(2) 0.0284(8) Uani 1 1 d . . . 
O4 O 0.3785(3) 0.6103(3) 0.3672(2) 0.0259(7) Uani 1 1 d . . . 
C11 C -0.0995(3) 0.6447(4) 0.3033(3) 0.0185(9) Uani 1 1 d . . . 
C12 C -0.1376(3) 0.5400(4) 0.3158(3) 0.0188(9) Uani 1 1 d . . . 
H12A H -0.1008 0.4905 0.2922 0.023 Uiso 1 1 calc R . . 
C13 C -0.2306(4) 0.5070(4) 0.3632(3) 0.0227(10) Uani 1 1 d . . . 
H13A H -0.2587 0.4346 0.3699 0.027 Uiso 1 1 calc R . . 
C14 C -0.2823(4) 0.5790(4) 0.4006(3) 0.0229(10) Uani 1 1 d . . . 
C15 C -0.2394(4) 0.6843(4) 0.3907(3) 0.0262(10) Uani 1 1 d . . . 
H15A H -0.2728 0.7341 0.4176 0.031 Uiso 1 1 calc R . . 
C16 C -0.1482(4) 0.7181(4) 0.3420(3) 0.0240(10) Uani 1 1 d . . . 
H16A H -0.1197 0.7903 0.3353 0.029 Uiso 1 1 calc R . . 
C17 C -0.3852(4) 0.5429(5) 0.4499(3) 0.0331(12) Uani 1 1 d . . . 
H17A H -0.4030 0.4667 0.4508 0.050 Uiso 1 1 calc R . . 
H17B H -0.4457 0.5689 0.4235 0.050 Uiso 1 1 calc R . . 
H17C H -0.3734 0.5698 0.5075 0.050 Uiso 1 1 calc R . . 
C21 C 0.4221(4) 0.8110(3) 0.3843(3) 0.0205(9) Uani 1 1 d . . . 
C22 C 0.3911(4) 0.9046(4) 0.3962(4) 0.0441(16) Uani 1 1 d . . . 
H22A H 0.3169 0.9067 0.4062 0.053 Uiso 1 1 calc R . . 
C23 C 0.4690(5) 0.9956(4) 0.3935(5) 0.0479(17) Uani 1 1 d . . . 
H23A H 0.4478 1.0601 0.4030 0.058 Uiso 1 1 calc R . . 
C24 C 0.5767(4) 0.9950(4) 0.3773(3) 0.0312(11) Uani 1 1 d . . . 
C25 C 0.6050(4) 0.9006(4) 0.3626(4) 0.0378(13) Uani 1 1 d . . . 
H25A H 0.6786 0.8987 0.3505 0.045 Uiso 1 1 calc R . . 
C26 C 0.5283(4) 0.8084(4) 0.3653(4) 0.0339(12) Uani 1 1 d . . . 
H26A H 0.5489 0.7440 0.3541 0.041 Uiso 1 1 calc R . . 
C27 C 0.6615(5) 1.0957(4) 0.3753(4) 0.0418(14) Uani 1 1 d . . . 
H27A H 0.6265 1.1545 0.3869 0.063 Uiso 1 1 calc R . . 
H27B H 0.6943 1.1039 0.3199 0.063 Uiso 1 1 calc R . . 
H27C H 0.7185 1.0936 0.4180 0.063 Uiso 1 1 calc R . . 
C111 C 0.3177(4) 0.3568(3) 0.2548(3) 0.0198(9) Uani 1 1 d . . . 
C112 C 0.3379(4) 0.3151(4) 0.3323(3) 0.0269(10) Uani 1 1 d . . . 
H11A H 0.2833 0.3050 0.3737 0.032 Uiso 1 1 calc R . . 
C113 C 0.4381(5) 0.2885(4) 0.3488(4) 0.0371(13) Uani 1 1 d . . . 
H11B H 0.4523 0.2608 0.4018 0.045 Uiso 1 1 calc R . . 
C114 C 0.5176(4) 0.3022(4) 0.2882(4) 0.0394(14) Uani 1 1 d . . . 
H11C H 0.5859 0.2837 0.3000 0.047 Uiso 1 1 calc R . . 
C115 C 0.4981(4) 0.3423(4) 0.2113(4) 0.0389(14) Uani 1 1 d . . . 
H11D H 0.5524 0.3505 0.1697 0.047 Uiso 1 1 calc R . . 
C116 C 0.3992(4) 0.3706(4) 0.1947(3) 0.0303(11) Uani 1 1 d . . . 
H11E H 0.3864 0.3998 0.1419 0.036 Uiso 1 1 calc R . . 
C121 C 0.1038(3) 0.3760(3) 0.3167(3) 0.0146(8) Uani 1 1 d . . . 
C122 C 0.0054(4) 0.3030(4) 0.3085(3) 0.0199(9) Uani 1 1 d . . . 
H12B H -0.0131 0.2653 0.2575 0.024 Uiso 1 1 calc R . . 
C123 C -0.0648(4) 0.2861(4) 0.3757(3) 0.0269(11) Uani 1 1 d . . . 
H12C H -0.1327 0.2383 0.3699 0.032 Uiso 1 1 calc R . . 
C124 C -0.0369(4) 0.3382(4) 0.4507(3) 0.0305(11) Uani 1 1 d . . . 
H12D H -0.0847 0.3251 0.4967 0.037 Uiso 1 1 calc R . . 
C125 C 0.0609(4) 0.4096(4) 0.4587(3) 0.0252(10) Uani 1 1 d . . . 
H12E H 0.0798 0.4453 0.5105 0.030 Uiso 1 1 calc R . . 
C126 C 0.1310(4) 0.4294(4) 0.3927(3) 0.0191(9) Uani 1 1 d . . . 
H12F H 0.1976 0.4791 0.3987 0.023 Uiso 1 1 calc R . . 
C131 C 0.1273(3) 0.3254(3) 0.1429(3) 0.0176(9) Uani 1 1 d . . . 
C132 C 0.1272(4) 0.2195(4) 0.1393(3) 0.0249(10) Uani 1 1 d . . . 
H13B H 0.1658 0.1888 0.1809 0.030 Uiso 1 1 calc R . . 
C133 C 0.0709(4) 0.1590(4) 0.0752(3) 0.0308(11) Uani 1 1 d . . . 
H13C H 0.0698 0.0864 0.0730 0.037 Uiso 1 1 calc R . . 
C134 C 0.0161(4) 0.2046(4) 0.0141(3) 0.0350(12) Uani 1 1 d . . . 
H13D H -0.0218 0.1631 -0.0303 0.042 Uiso 1 1 calc R . . 
C135 C 0.0161(4) 0.3099(4) 0.0172(3) 0.0297(11) Uani 1 1 d . . . 
H13E H -0.0212 0.3406 -0.0252 0.036 Uiso 1 1 calc R . . 
C136 C 0.0707(4) 0.3705(4) 0.0823(3) 0.0227(10) Uani 1 1 d . . . 
H13F H 0.0695 0.4426 0.0854 0.027 Uiso 1 1 calc R . . 
C211 C 0.3589(4) 0.8425(3) 0.1378(3) 0.0173(9) Uani 1 1 d . . . 
C212 C 0.2593(4) 0.8724(4) 0.1511(3) 0.0228(10) Uani 1 1 d . . . 
H21A H 0.1928 0.8224 0.1462 0.027 Uiso 1 1 calc R . . 
C213 C 0.2574(4) 0.9741(4) 0.1714(3) 0.0290(11) Uani 1 1 d . . . 
H21B H 0.1895 0.9939 0.1801 0.035 Uiso 1 1 calc R . . 
C214 C 0.3531(5) 1.0473(4) 0.1791(4) 0.0359(12) Uani 1 1 d . . . 
H21C H 0.3512 1.1174 0.1931 0.043 Uiso 1 1 calc R . . 
C215 C 0.4528(5) 1.0181(4) 0.1662(4) 0.0394(14) Uani 1 1 d . . . 
H21D H 0.5192 1.0682 0.1714 0.047 Uiso 1 1 calc R . . 
C216 C 0.4548(4) 0.9161(4) 0.1460(3) 0.0305(11) Uani 1 1 d . . . 
H21E H 0.5229 0.8964 0.1376 0.037 Uiso 1 1 calc R . . 
C221 C 0.3022(3) 0.6996(3) -0.0002(3) 0.0176(9) Uani 1 1 d . . . 
C222 C 0.3069(4) 0.7866(4) -0.0496(3) 0.0218(9) Uani 1 1 d . . . 
H22B H 0.3384 0.8537 -0.0277 0.026 Uiso 1 1 calc R . . 
C223 C 0.2657(4) 0.7760(4) -0.1313(3) 0.0264(10) Uani 1 1 d . . . 
H22C H 0.2690 0.8360 -0.1650 0.032 Uiso 1 1 calc R . . 
C224 C 0.2202(4) 0.6795(4) -0.1640(3) 0.0251(10) Uani 1 1 d . . . 
H22D H 0.1926 0.6730 -0.2201 0.030 Uiso 1 1 calc R . . 
C225 C 0.2146(4) 0.5916(4) -0.1149(3) 0.0269(10) Uani 1 1 d . . . 
H22E H 0.1828 0.5248 -0.1372 0.032 Uiso 1 1 calc R . . 
C226 C 0.2555(4) 0.6014(4) -0.0333(3) 0.0225(10) Uani 1 1 d . . . 
H22F H 0.2519 0.5412 0.0004 0.027 Uiso 1 1 calc R . . 
C231 C 0.4937(4) 0.6903(3) 0.1038(3) 0.0181(9) Uani 1 1 d . . . 
C232 C 0.5376(4) 0.6467(4) 0.1727(3) 0.0218(10) Uani 1 1 d . . . 
H23B H 0.4940 0.6266 0.2202 0.026 Uiso 1 1 calc R . . 
C233 C 0.6448(4) 0.6326(4) 0.1722(3) 0.0288(11) Uani 1 1 d . . . 
H23C H 0.6741 0.6029 0.2194 0.035 Uiso 1 1 calc R . . 
C234 C 0.7087(4) 0.6615(4) 0.1035(3) 0.0279(11) Uani 1 1 d . . . 
H23D H 0.7820 0.6520 0.1035 0.034 Uiso 1 1 calc R . . 
C235 C 0.6658(4) 0.7044(4) 0.0345(3) 0.0312(12) Uani 1 1 d . . . 
H23E H 0.7098 0.7244 -0.0128 0.037 Uiso 1 1 calc R . . 
C236 C 0.5579(4) 0.7183(4) 0.0346(3) 0.0248(10) Uani 1 1 d . . . 
H23F H 0.5284 0.7471 -0.0131 0.030 Uiso 1 1 calc R . . 
C1 C 0.8162(6) 0.9150(5) 0.1640(4) 0.0524(17) Uani 1 1 d . . . 
H1A H 0.8696 0.8711 0.1512 0.063 Uiso 1 1 calc R . . 
H1B H 0.7514 0.8699 0.1886 0.063 Uiso 1 1 calc R . . 
Cl1 Cl 0.77670(15) 0.96945(12) 0.07052(11) 0.0531(4) Uani 1 1 d . . . 
Cl2 Cl 0.87500(16) 1.01217(14) 0.23715(11) 0.0591(4) Uani 1 1 d . . . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Au1 0.01138(9) 0.01857(9) 0.01920(9) -0.00189(6) 0.00008(7) 0.00329(6) 
Au2 0.01484(9) 0.01397(9) 0.01792(9) 0.00186(6) 0.00403(7) 0.00249(6) 
S1 0.0104(5) 0.0296(6) 0.0191(5) 0.0041(4) -0.0005(4) 0.0034(4) 
S2 0.0125(5) 0.0194(5) 0.0221(5) 0.0013(4) -0.0021(4) 0.0013(4) 
P1 0.0136(5) 0.0132(5) 0.0165(5) 0.0023(4) 0.0031(4) 0.0026(4) 
P2 0.0134(5) 0.0164(5) 0.0156(5) 0.0017(4) 0.0015(4) 0.0019(4) 
O1 0.0217(18) 0.040(2) 0.046(2) 0.0243(17) 0.0070(17) 0.0097(16) 
O2 0.0216(18) 0.048(2) 0.0202(16) -0.0079(15) 0.0031(14) 0.0018(15) 
O3 0.0260(18) 0.034(2) 0.0220(16) 0.0030(14) -0.0010(14) -0.0007(15) 
O4 0.0185(17) 0.0209(17) 0.0385(19) -0.0004(14) -0.0038(15) 0.0048(13) 
C11 0.009(2) 0.028(2) 0.018(2) -0.0002(17) -0.0007(17) 0.0004(17) 
C12 0.014(2) 0.025(2) 0.017(2) 0.0003(17) -0.0014(17) 0.0032(17) 
C13 0.019(2) 0.024(2) 0.024(2) 0.0042(18) -0.0028(19) 0.0007(18) 
C14 0.014(2) 0.037(3) 0.017(2) 0.0033(19) -0.0003(18) 0.0038(19) 
C15 0.018(2) 0.034(3) 0.029(2) -0.002(2) -0.001(2) 0.009(2) 
C16 0.018(2) 0.024(2) 0.030(2) -0.0028(19) 0.002(2) 0.0042(18) 
C17 0.021(3) 0.044(3) 0.034(3) 0.010(2) 0.011(2) 0.004(2) 
C21 0.016(2) 0.019(2) 0.026(2) 0.0007(18) -0.0015(19) 0.0015(17) 
C22 0.020(3) 0.031(3) 0.083(5) 0.003(3) 0.015(3) 0.007(2) 
C23 0.038(3) 0.019(3) 0.088(5) 0.008(3) 0.019(3) 0.007(2) 
C24 0.027(3) 0.029(3) 0.034(3) 0.004(2) 0.000(2) -0.002(2) 
C25 0.019(3) 0.033(3) 0.060(4) 0.000(3) 0.006(3) 0.002(2) 
C26 0.023(3) 0.029(3) 0.049(3) -0.005(2) 0.003(2) 0.003(2) 
C27 0.034(3) 0.028(3) 0.059(4) 0.008(3) 0.001(3) -0.006(2) 
C111 0.015(2) 0.017(2) 0.027(2) -0.0003(17) -0.0002(18) 0.0023(17) 
C112 0.025(3) 0.025(3) 0.034(3) -0.001(2) -0.003(2) 0.011(2) 
C113 0.043(3) 0.033(3) 0.041(3) 0.000(2) -0.015(3) 0.021(3) 
C114 0.016(2) 0.036(3) 0.068(4) -0.010(3) -0.013(3) 0.012(2) 
C115 0.018(3) 0.033(3) 0.068(4) 0.004(3) 0.009(3) 0.009(2) 
C116 0.024(3) 0.028(3) 0.041(3) 0.009(2) 0.006(2) 0.009(2) 
C121 0.012(2) 0.013(2) 0.020(2) 0.0023(16) -0.0007(17) 0.0062(16) 
C122 0.018(2) 0.024(2) 0.017(2) 0.0002(17) 0.0024(18) 0.0005(18) 
C123 0.013(2) 0.031(3) 0.033(3) 0.005(2) 0.002(2) -0.0050(19) 
C124 0.028(3) 0.043(3) 0.022(2) 0.006(2) 0.011(2) 0.012(2) 
C125 0.023(2) 0.034(3) 0.019(2) -0.0014(19) 0.001(2) 0.008(2) 
C126 0.017(2) 0.022(2) 0.019(2) -0.0001(17) -0.0021(18) 0.0040(17) 
C131 0.018(2) 0.019(2) 0.0145(19) 0.0003(16) 0.0049(17) 0.0003(17) 
C132 0.024(2) 0.027(3) 0.024(2) -0.0026(19) 0.001(2) 0.0037(19) 
C133 0.039(3) 0.022(3) 0.031(3) -0.005(2) 0.005(2) 0.006(2) 
C134 0.034(3) 0.040(3) 0.027(3) -0.012(2) 0.003(2) -0.002(2) 
C135 0.026(3) 0.041(3) 0.021(2) 0.001(2) -0.004(2) 0.005(2) 
C136 0.020(2) 0.026(3) 0.023(2) 0.0068(19) 0.0025(19) 0.0057(19) 
C211 0.021(2) 0.015(2) 0.0153(19) 0.0024(16) 0.0012(18) 0.0030(17) 
C212 0.021(2) 0.021(2) 0.026(2) 0.0027(18) 0.007(2) 0.0046(18) 
C213 0.029(3) 0.025(3) 0.036(3) -0.002(2) 0.004(2) 0.009(2) 
C214 0.041(3) 0.024(3) 0.044(3) -0.004(2) -0.003(3) 0.011(2) 
C215 0.028(3) 0.026(3) 0.059(4) -0.010(3) -0.002(3) -0.007(2) 
C216 0.021(2) 0.026(3) 0.043(3) -0.003(2) -0.002(2) 0.003(2) 
C221 0.016(2) 0.021(2) 0.0158(19) -0.0019(16) 0.0026(17) 0.0024(17) 
C222 0.026(2) 0.018(2) 0.020(2) 0.0003(17) -0.0003(19) 0.0015(18) 
C223 0.030(3) 0.029(3) 0.022(2) 0.0034(19) -0.003(2) 0.010(2) 
C224 0.022(2) 0.033(3) 0.021(2) -0.0054(19) -0.005(2) 0.009(2) 
C225 0.025(3) 0.026(3) 0.027(2) -0.008(2) -0.005(2) 0.002(2) 
C226 0.022(2) 0.023(2) 0.022(2) 0.0040(18) -0.0033(19) 0.0057(19) 
C231 0.016(2) 0.018(2) 0.020(2) -0.0021(17) 0.0013(18) 0.0006(16) 
C232 0.021(2) 0.025(2) 0.020(2) 0.0050(18) 0.0029(19) 0.0049(19) 
C233 0.023(3) 0.032(3) 0.033(3) 0.005(2) -0.004(2) 0.009(2) 
C234 0.014(2) 0.033(3) 0.037(3) -0.008(2) -0.001(2) 0.0048(19) 
C235 0.024(3) 0.042(3) 0.028(2) 0.002(2) 0.011(2) 0.007(2) 
C236 0.022(2) 0.032(3) 0.021(2) 0.0055(19) 0.003(2) 0.006(2) 
C1 0.059(4) 0.037(4) 0.064(4) -0.002(3) -0.011(4) 0.017(3) 
Cl1 0.0670(11) 0.0371(8) 0.0599(9) -0.0061(7) -0.0066(8) 0.0226(8) 
Cl2 0.0699(12) 0.0472(10) 0.0592(10) -0.0015(8) -0.0062(9) 0.0106(8) 

_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 S1 2.2930(11) . ? 
Au1 S2 2.2945(11) . ? 
Au1 Au2 2.9429(2) . ? 
Au2 P2 2.3052(10) . ? 
Au2 P1 2.3110(11) . ? 
S1 O1 1.460(4) . ? 
S1 O2 1.468(4) . ? 
S1 C11 1.788(4) . ? 
S2 O4 1.464(3) . ? 
S2 O3 1.467(3) . ? 
S2 C21 1.789(5) . ? 
P1 C121 1.813(4) . ? 
P1 C111 1.820(5) . ? 
P1 C131 1.822(4) . ? 
P2 C231 1.813(4) . ? 
P2 C211 1.815(4) . ? 
P2 C221 1.818(4) . ? 
C11 C12 1.376(6) . ? 
C11 C16 1.389(6) . ? 
C12 C13 1.394(6) . ? 
C12 H12A 0.9500 . ? 
C13 C14 1.389(7) . ? 
C13 H13A 0.9500 . ? 
C14 C15 1.388(7) . ? 
C14 C17 1.514(6) . ? 
C15 C16 1.389(6) . ? 
C15 H15A 0.9500 . ? 
C16 H16A 0.9500 . ? 
C17 H17A 0.9800 . ? 
C17 H17B 0.9800 . ? 
C17 H17C 0.9800 . ? 
C21 C26 1.375(6) . ? 
C21 C22 1.375(7) . ? 
C22 C23 1.379(8) . ? 
C22 H22A 0.9500 . ? 
C23 C24 1.377(7) . ? 
C23 H23A 0.9500 . ? 
C24 C25 1.377(8) . ? 
C24 C27 1.517(7) . ? 
C25 C26 1.383(7) . ? 
C25 H25A 0.9500 . ? 
C26 H26A 0.9500 . ? 
C27 H27A 0.9800 . ? 
C27 H27B 0.9800 . ? 
C27 H27C 0.9800 . ? 
C111 C112 1.393(7) . ? 
C111 C116 1.399(6) . ? 
C112 C113 1.387(7) . ? 
C112 H11A 0.9500 . ? 
C113 C114 1.386(8) . ? 
C113 H11B 0.9500 . ? 
C114 C115 1.374(9) . ? 
C114 H11C 0.9500 . ? 
C115 C116 1.383(7) . ? 
C115 H11D 0.9500 . ? 
C116 H11E 0.9500 . ? 
C121 C126 1.399(6) . ? 
C121 C122 1.400(6) . ? 
C122 C123 1.389(6) . ? 
C122 H12B 0.9500 . ? 
C123 C124 1.378(7) . ? 
C123 H12C 0.9500 . ? 
C124 C125 1.384(7) . ? 
C124 H12D 0.9500 . ? 
C125 C126 1.376(6) . ? 
C125 H12E 0.9500 . ? 
C126 H12F 0.9500 . ? 
C131 C136 1.389(6) . ? 
C131 C132 1.391(6) . ? 
C132 C133 1.382(7) . ? 
C132 H13B 0.9500 . ? 
C133 C134 1.386(8) . ? 
C133 H13C 0.9500 . ? 
C134 C135 1.382(8) . ? 
C134 H13D 0.9500 . ? 
C135 C136 1.387(7) . ? 
C135 H13E 0.9500 . ? 
C136 H13F 0.9500 . ? 
C211 C216 1.382(6) . ? 
C211 C212 1.399(6) . ? 
C212 C213 1.378(7) . ? 
C212 H21A 0.9500 . ? 
C213 C214 1.376(7) . ? 
C213 H21B 0.9500 . ? 
C214 C215 1.396(8) . ? 
C214 H21C 0.9500 . ? 
C215 C216 1.380(7) . ? 
C215 H21D 0.9500 . ? 
C216 H21E 0.9500 . ? 
C221 C222 1.382(6) . ? 
C221 C226 1.399(6) . ? 
C222 C223 1.388(6) . ? 
C222 H22B 0.9500 . ? 
C223 C224 1.375(7) . ? 
C223 H22C 0.9500 . ? 
C224 C225 1.388(7) . ? 
C224 H22D 0.9500 . ? 
C225 C226 1.386(6) . ? 
C225 H22E 0.9500 . ? 
C226 H22F 0.9500 . ? 
C231 C236 1.385(6) . ? 
C231 C232 1.394(6) . ? 
C232 C233 1.389(7) . ? 
C232 H23B 0.9500 . ? 
C233 C234 1.378(7) . ? 
C233 H23C 0.9500 . ? 
C234 C235 1.386(7) . ? 
C234 H23D 0.9500 . ? 
C235 C236 1.398(7) . ? 
C235 H23E 0.9500 . ? 
C236 H23F 0.9500 . ? 
C1 Cl1 1.760(7) . ? 
C1 Cl2 1.761(7) . ? 
C1 H1A 0.9900 . ? 
C1 H1B 0.9900 . ? 

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 
S1 Au1 S2 176.50(4) . . ? 
S1 Au1 Au2 89.03(3) . . ? 
S2 Au1 Au2 89.46(3) . . ? 
P2 Au2 P1 156.66(4) . . ? 
P2 Au2 Au1 100.99(3) . . ? 
P1 Au2 Au1 101.90(3) . . ? 
O1 S1 O2 115.2(2) . . ? 
O1 S1 C11 105.5(2) . . ? 
O2 S1 C11 105.0(2) . . ? 
O1 S1 Au1 112.60(17) . . ? 
O2 S1 Au1 110.02(15) . . ? 
C11 S1 Au1 107.84(15) . . ? 
O4 S2 O3 115.5(2) . . ? 
O4 S2 C21 105.2(2) . . ? 
O3 S2 C21 105.2(2) . . ? 
O4 S2 Au1 109.86(15) . . ? 
O3 S2 Au1 110.95(15) . . ? 
C21 S2 Au1 109.85(16) . . ? 
C121 P1 C111 107.3(2) . . ? 
C121 P1 C131 105.04(19) . . ? 
C111 P1 C131 105.9(2) . . ? 
C121 P1 Au2 121.32(14) . . ? 
C111 P1 Au2 105.92(15) . . ? 
C131 P1 Au2 110.36(14) . . ? 
C231 P2 C211 107.1(2) . . ? 
C231 P2 C221 106.40(19) . . ? 
C211 P2 C221 104.3(2) . . ? 
C231 P2 Au2 108.24(15) . . ? 
C211 P2 Au2 119.73(14) . . ? 
C221 P2 Au2 110.26(14) . . ? 
C12 C11 C16 120.7(4) . . ? 
C12 C11 S1 119.3(3) . . ? 
C16 C11 S1 119.9(4) . . ? 
C11 C12 C13 119.6(4) . . ? 
C11 C12 H12A 120.2 . . ? 
C13 C12 H12A 120.2 . . ? 
C14 C13 C12 120.5(4) . . ? 
C14 C13 H13A 119.8 . . ? 
C12 C13 H13A 119.8 . . ? 
C15 C14 C13 118.9(4) . . ? 
C15 C14 C17 120.7(4) . . ? 
C13 C14 C17 120.4(5) . . ? 
C14 C15 C16 121.1(4) . . ? 
C14 C15 H15A 119.5 . . ? 
C16 C15 H15A 119.5 . . ? 
C11 C16 C15 119.1(4) . . ? 
C11 C16 H16A 120.5 . . ? 
C15 C16 H16A 120.5 . . ? 
C14 C17 H17A 109.5 . . ? 
C14 C17 H17B 109.5 . . ? 
H17A C17 H17B 109.5 . . ? 
C14 C17 H17C 109.5 . . ? 
H17A C17 H17C 109.5 . . ? 
H17B C17 H17C 109.5 . . ? 
C26 C21 C22 120.3(5) . . ? 
C26 C21 S2 120.0(4) . . ? 
C22 C21 S2 119.6(4) . . ? 
C21 C22 C23 119.3(5) . . ? 
C21 C22 H22A 120.4 . . ? 
C23 C22 H22A 120.4 . . ? 
C24 C23 C22 121.6(5) . . ? 
C24 C23 H23A 119.2 . . ? 
C22 C23 H23A 119.2 . . ? 
C25 C24 C23 118.1(5) . . ? 
C25 C24 C27 121.0(5) . . ? 
C23 C24 C27 120.9(5) . . ? 
C24 C25 C26 121.3(5) . . ? 
C24 C25 H25A 119.3 . . ? 
C26 C25 H25A 119.3 . . ? 
C21 C26 C25 119.3(5) . . ? 
C21 C26 H26A 120.3 . . ? 
C25 C26 H26A 120.3 . . ? 
C24 C27 H27A 109.5 . . ? 
C24 C27 H27B 109.5 . . ? 
H27A C27 H27B 109.5 . . ? 
C24 C27 H27C 109.5 . . ? 
H27A C27 H27C 109.5 . . ? 
H27B C27 H27C 109.5 . . ? 
C112 C111 C116 119.1(4) . . ? 
C112 C111 P1 123.8(3) . . ? 
C116 C111 P1 116.8(4) . . ? 
C113 C112 C111 119.8(5) . . ? 
C113 C112 H11A 120.1 . . ? 
C111 C112 H11A 120.1 . . ? 
C114 C113 C112 120.3(5) . . ? 
C114 C113 H11B 119.9 . . ? 
C112 C113 H11B 119.9 . . ? 
C115 C114 C113 120.4(5) . . ? 
C115 C114 H11C 119.8 . . ? 
C113 C114 H11C 119.8 . . ? 
C114 C115 C116 119.7(5) . . ? 
C114 C115 H11D 120.1 . . ? 
C116 C115 H11D 120.1 . . ? 
C115 C116 C111 120.7(5) . . ? 
C115 C116 H11E 119.7 . . ? 
C111 C116 H11E 119.7 . . ? 
C126 C121 C122 119.7(4) . . ? 
C126 C121 P1 119.1(3) . . ? 
C122 C121 P1 121.2(3) . . ? 
C123 C122 C121 119.3(4) . . ? 
C123 C122 H12B 120.3 . . ? 
C121 C122 H12B 120.3 . . ? 
C124 C123 C122 120.6(4) . . ? 
C124 C123 H12C 119.7 . . ? 
C122 C123 H12C 119.7 . . ? 
C123 C124 C125 119.8(4) . . ? 
C123 C124 H12D 120.1 . . ? 
C125 C124 H12D 120.1 . . ? 
C126 C125 C124 120.8(4) . . ? 
C126 C125 H12E 119.6 . . ? 
C124 C125 H12E 119.6 . . ? 
C125 C126 C121 119.7(4) . . ? 
C125 C126 H12F 120.2 . . ? 
C121 C126 H12F 120.2 . . ? 
C136 C131 C132 120.2(4) . . ? 
C136 C131 P1 118.8(3) . . ? 
C132 C131 P1 120.9(3) . . ? 
C133 C132 C131 119.9(5) . . ? 
C133 C132 H13B 120.1 . . ? 
C131 C132 H13B 120.1 . . ? 
C132 C133 C134 119.7(5) . . ? 
C132 C133 H13C 120.1 . . ? 
C134 C133 H13C 120.1 . . ? 
C135 C134 C133 120.7(5) . . ? 
C135 C134 H13D 119.7 . . ? 
C133 C134 H13D 119.7 . . ? 
C134 C135 C136 119.8(5) . . ? 
C134 C135 H13E 120.1 . . ? 
C136 C135 H13E 120.1 . . ? 
C135 C136 C131 119.7(5) . . ? 
C135 C136 H13F 120.1 . . ? 
C131 C136 H13F 120.1 . . ? 
C216 C211 C212 119.0(4) . . ? 
C216 C211 P2 123.6(4) . . ? 
C212 C211 P2 117.3(3) . . ? 
C213 C212 C211 120.2(4) . . ? 
C213 C212 H21A 119.9 . . ? 
C211 C212 H21A 119.9 . . ? 
C214 C213 C212 120.6(5) . . ? 
C214 C213 H21B 119.7 . . ? 
C212 C213 H21B 119.7 . . ? 
C213 C214 C215 119.6(5) . . ? 
C213 C214 H21C 120.2 . . ? 
C215 C214 H21C 120.2 . . ? 
C216 C215 C214 119.9(5) . . ? 
C216 C215 H21D 120.1 . . ? 
C214 C215 H21D 120.1 . . ? 
C215 C216 C211 120.7(5) . . ? 
C215 C216 H21E 119.6 . . ? 
C211 C216 H21E 119.6 . . ? 
C222 C221 C226 119.4(4) . . ? 
C222 C221 P2 122.3(3) . . ? 
C226 C221 P2 118.3(3) . . ? 
C221 C222 C223 120.0(4) . . ? 
C221 C222 H22B 120.0 . . ? 
C223 C222 H22B 120.0 . . ? 
C224 C223 C222 120.7(5) . . ? 
C224 C223 H22C 119.6 . . ? 
C222 C223 H22C 119.6 . . ? 
C223 C224 C225 119.8(4) . . ? 
C223 C224 H22D 120.1 . . ? 
C225 C224 H22D 120.1 . . ? 
C226 C225 C224 119.9(4) . . ? 
C226 C225 H22E 120.1 . . ? 
C224 C225 H22E 120.1 . . ? 
C225 C226 C221 120.2(4) . . ? 
C225 C226 H22F 119.9 . . ? 
C221 C226 H22F 119.9 . . ? 
C236 C231 C232 119.2(4) . . ? 
C236 C231 P2 121.9(3) . . ? 
C232 C231 P2 118.8(3) . . ? 
C233 C232 C231 120.4(4) . . ? 
C233 C232 H23B 119.8 . . ? 
C231 C232 H23B 119.8 . . ? 
C234 C233 C232 120.2(4) . . ? 
C234 C233 H23C 119.9 . . ? 
C232 C233 H23C 119.9 . . ? 
C233 C234 C235 119.9(4) . . ? 
C233 C234 H23D 120.0 . . ? 
C235 C234 H23D 120.0 . . ? 
C234 C235 C236 120.1(4) . . ? 
C234 C235 H23E 120.0 . . ? 
C236 C235 H23E 120.0 . . ? 
C231 C236 C235 120.2(4) . . ? 
C231 C236 H23F 119.9 . . ? 
C235 C236 H23F 119.9 . . ? 
Cl1 C1 Cl2 111.4(4) . . ? 
Cl1 C1 H1A 109.3 . . ? 
Cl2 C1 H1A 109.3 . . ? 
Cl1 C1 H1B 109.3 . . ? 
Cl2 C1 H1B 109.3 . . ? 
H1A C1 H1B 108.0 . . ? 

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 Au2 P2 93.55(4) . . . . ? 
S2 Au1 Au2 P2 -89.60(4) . . . . ? 
S1 Au1 Au2 P1 -91.02(4) . . . . ? 
S2 Au1 Au2 P1 85.83(4) . . . . ? 
S2 Au1 S1 O1 -177.0(6) . . . . ? 
Au2 Au1 S1 O1 -112.60(16) . . . . ? 
S2 Au1 S1 O2 -47.0(6) . . . . ? 
Au2 Au1 S1 O2 17.44(15) . . . . ? 
S2 Au1 S1 C11 67.0(6) . . . . ? 
Au2 Au1 S1 C11 131.40(16) . . . . ? 
S1 Au1 S2 O4 46.3(6) . . . . ? 
Au2 Au1 S2 O4 -18.06(15) . . . . ? 
S1 Au1 S2 O3 -82.6(6) . . . . ? 
Au2 Au1 S2 O3 -147.00(16) . . . . ? 
S1 Au1 S2 C21 161.5(6) . . . . ? 
Au2 Au1 S2 C21 97.14(16) . . . . ? 
P2 Au2 P1 C121 175.78(17) . . . . ? 
Au1 Au2 P1 C121 7.17(17) . . . . ? 
P2 Au2 P1 C111 53.34(19) . . . . ? 
Au1 Au2 P1 C111 -115.27(15) . . . . ? 
P2 Au2 P1 C131 -60.85(18) . . . . ? 
Au1 Au2 P1 C131 130.54(15) . . . . ? 
P1 Au2 P2 C231 -45.88(19) . . . . ? 
Au1 Au2 P2 C231 122.77(15) . . . . ? 
P1 Au2 P2 C211 -168.92(18) . . . . ? 
Au1 Au2 P2 C211 -0.27(17) . . . . ? 
P1 Au2 P2 C221 70.14(19) . . . . ? 
Au1 Au2 P2 C221 -121.22(15) . . . . ? 
O1 S1 C11 C12 154.0(4) . . . . ? 
O2 S1 C11 C12 31.9(4) . . . . ? 
Au1 S1 C11 C12 -85.4(4) . . . . ? 
O1 S1 C11 C16 -26.3(4) . . . . ? 
O2 S1 C11 C16 -148.5(4) . . . . ? 
Au1 S1 C11 C16 94.2(4) . . . . ? 
C16 C11 C12 C13 4.3(7) . . . . ? 
S1 C11 C12 C13 -176.1(3) . . . . ? 
C11 C12 C13 C14 -2.5(7) . . . . ? 
C12 C13 C14 C15 -0.6(7) . . . . ? 
C12 C13 C14 C17 178.2(4) . . . . ? 
C13 C14 C15 C16 2.1(7) . . . . ? 
C17 C14 C15 C16 -176.7(5) . . . . ? 
C12 C11 C16 C15 -2.8(7) . . . . ? 
S1 C11 C16 C15 177.6(4) . . . . ? 
C14 C15 C16 C11 -0.4(7) . . . . ? 
O4 S2 C21 C26 -11.0(5) . . . . ? 
O3 S2 C21 C26 111.3(4) . . . . ? 
Au1 S2 C21 C26 -129.2(4) . . . . ? 
O4 S2 C21 C22 171.1(5) . . . . ? 
O3 S2 C21 C22 -66.5(5) . . . . ? 
Au1 S2 C21 C22 53.0(5) . . . . ? 
C26 C21 C22 C23 -3.6(10) . . . . ? 
S2 C21 C22 C23 174.3(5) . . . . ? 
C21 C22 C23 C24 1.4(11) . . . . ? 
C22 C23 C24 C25 0.8(10) . . . . ? 
C22 C23 C24 C27 -179.4(6) . . . . ? 
C23 C24 C25 C26 -1.0(9) . . . . ? 
C27 C24 C25 C26 179.2(6) . . . . ? 
C22 C21 C26 C25 3.4(9) . . . . ? 
S2 C21 C26 C25 -174.4(4) . . . . ? 
C24 C25 C26 C21 -1.1(9) . . . . ? 
C121 P1 C111 C112 -6.6(5) . . . . ? 
C131 P1 C111 C112 -118.4(4) . . . . ? 
Au2 P1 C111 C112 124.4(4) . . . . ? 
C121 P1 C111 C116 179.1(4) . . . . ? 
C131 P1 C111 C116 67.3(4) . . . . ? 
Au2 P1 C111 C116 -49.9(4) . . . . ? 
C116 C111 C112 C113 0.3(7) . . . . ? 
P1 C111 C112 C113 -173.9(4) . . . . ? 
C111 C112 C113 C114 -0.7(8) . . . . ? 
C112 C113 C114 C115 0.0(9) . . . . ? 
C113 C114 C115 C116 1.0(9) . . . . ? 
C114 C115 C116 C111 -1.4(8) . . . . ? 
C112 C111 C116 C115 0.8(8) . . . . ? 
P1 C111 C116 C115 175.3(4) . . . . ? 
C111 P1 C121 C126 70.2(4) . . . . ? 
C131 P1 C121 C126 -177.4(3) . . . . ? 
Au2 P1 C121 C126 -51.5(4) . . . . ? 
C111 P1 C121 C122 -111.7(4) . . . . ? 
C131 P1 C121 C122 0.7(4) . . . . ? 
Au2 P1 C121 C122 126.5(3) . . . . ? 
C126 C121 C122 C123 1.3(7) . . . . ? 
P1 C121 C122 C123 -176.7(4) . . . . ? 
C121 C122 C123 C124 -2.0(7) . . . . ? 
C122 C123 C124 C125 1.4(8) . . . . ? 
C123 C124 C125 C126 0.0(8) . . . . ? 
C124 C125 C126 C121 -0.6(7) . . . . ? 
C122 C121 C126 C125 0.0(6) . . . . ? 
P1 C121 C126 C125 178.1(3) . . . . ? 
C121 P1 C131 C136 100.5(3) . . . . ? 
C111 P1 C131 C136 -146.1(3) . . . . ? 
Au2 P1 C131 C136 -31.9(4) . . . . ? 
C121 P1 C131 C132 -76.4(4) . . . . ? 
C111 P1 C131 C132 37.0(4) . . . . ? 
Au2 P1 C131 C132 151.2(3) . . . . ? 
C136 C131 C132 C133 0.1(7) . . . . ? 
P1 C131 C132 C133 177.0(4) . . . . ? 
C131 C132 C133 C134 0.9(7) . . . . ? 
C132 C133 C134 C135 -0.7(8) . . . . ? 
C133 C134 C135 C136 -0.5(8) . . . . ? 
C134 C135 C136 C131 1.5(7) . . . . ? 
C132 C131 C136 C135 -1.4(6) . . . . ? 
P1 C131 C136 C135 -178.3(3) . . . . ? 
C231 P2 C211 C216 6.6(5) . . . . ? 
C221 P2 C211 C216 -105.9(4) . . . . ? 
Au2 P2 C211 C216 130.2(4) . . . . ? 
C231 P2 C211 C212 -175.2(3) . . . . ? 
C221 P2 C211 C212 72.3(4) . . . . ? 
Au2 P2 C211 C212 -51.6(4) . . . . ? 
C216 C211 C212 C213 0.6(7) . . . . ? 
P2 C211 C212 C213 -177.7(4) . . . . ? 
C211 C212 C213 C214 -0.3(7) . . . . ? 
C212 C213 C214 C215 0.0(8) . . . . ? 
C213 C214 C215 C216 -0.1(9) . . . . ? 
C214 C215 C216 C211 0.4(9) . . . . ? 
C212 C211 C216 C215 -0.6(8) . . . . ? 
P2 C211 C216 C215 177.5(4) . . . . ? 
C231 P2 C221 C222 -93.2(4) . . . . ? 
C211 P2 C221 C222 19.8(4) . . . . ? 
Au2 P2 C221 C222 149.6(3) . . . . ? 
C231 P2 C221 C226 87.3(4) . . . . ? 
C211 P2 C221 C226 -159.6(3) . . . . ? 
Au2 P2 C221 C226 -29.8(4) . . . . ? 
C226 C221 C222 C223 -0.1(7) . . . . ? 
P2 C221 C222 C223 -179.5(3) . . . . ? 
C221 C222 C223 C224 -0.1(7) . . . . ? 
C222 C223 C224 C225 0.4(7) . . . . ? 
C223 C224 C225 C226 -0.4(7) . . . . ? 
C224 C225 C226 C221 0.1(7) . . . . ? 
C222 C221 C226 C225 0.1(7) . . . . ? 
P2 C221 C226 C225 179.6(4) . . . . ? 
C211 P2 C231 C236 -82.5(4) . . . . ? 
C221 P2 C231 C236 28.6(4) . . . . ? 
Au2 P2 C231 C236 147.1(4) . . . . ? 
C211 P2 C231 C232 97.7(4) . . . . ? 
C221 P2 C231 C232 -151.2(4) . . . . ? 
Au2 P2 C231 C232 -32.7(4) . . . . ? 
C236 C231 C232 C233 0.7(7) . . . . ? 
P2 C231 C232 C233 -179.6(4) . . . . ? 
C231 C232 C233 C234 -0.1(7) . . . . ? 
C232 C233 C234 C235 -0.2(8) . . . . ? 
C233 C234 C235 C236 -0.1(8) . . . . ? 
C232 C231 C236 C235 -1.0(7) . . . . ? 
P2 C231 C236 C235 179.3(4) . . . . ? 
C234 C235 C236 C231 0.7(8) . . . . ? 

_diffrn_measured_fraction_theta_max    0.921 
_diffrn_reflns_theta_full              26.41 
_diffrn_measured_fraction_theta_full   0.921 
_refine_diff_density_max    1.172 
_refine_diff_density_min   -1.198 
_refine_diff_density_rms    0.130 


data_pat3 (Compound 1)

_database_code_CSD	165246

# 1. SUBMISSION DETAILS


_publ_contact_author
;
Prof. Dr. H. Schmidbaur, Dr. A. Schier
Anorganisch-chemisches Institut
der Technischen Universit\"at M\"unchen
Lichtenbergstra\"se 4
D-85747 Garching
Germany
;

_publ_contact_author_phone   '++49 89 2891-3130'
_publ_contact_author_fax     '++49 89 2891-3125'
_publ_contact_author_email   'Annette.Schier@lrz.tum.de'
_publ_requested_journal      'J. Chem. Soc., Dalton Trans.'
_journal_coden_Cambridge    186
_publ_requested_coeditor_name ?

_publ_contact_letter
;
please consider this CIF submission for publication in 
J. Chem. Soc., Dalton Trans..
Date of submission: May 2001.
;

#============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic     ?

_journal_date_to_coeditor         ?
_journal_date_from_coeditor       ?
_journal_date_accepted            ?

_journal_date_printers_first      ?
_journal_date_printers_final      ?
_journal_date_proofs_out          ?
_journal_date_proofs_in           ?

_journal_coeditor_name            ?
_journal_coeditor_code            ?
_journal_coeditor_notes
?

_journal_techeditor_code          ?
_journal_techeditor_notes
?

_journal_coden_ASTM               ?
_journal_name_full                ?
_journal_year                     ?
_journal_volume                   ?
_journal_issue                    ?
_journal_page_first               ?
_journal_page_last                ?

_journal_suppl_publ_number        ?
_journal_suppl_publ_pages         ?

#============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
;
Gold(I) Organosulphinate and Organosulfonate Complexes
;
loop_
_publ_author_name
_publ_author_address
'Patric Roembke'
;    Anorganisch-chemisches Institut
der Technischen Universit\"at M\"unchen
Lichtenbergstra\"se 4
D-85747 Garching
Germany
;
'A. Schier'
;    Anorganisch-chemisches Institut
der Technischen Universit\"at M\"unchen
Lichtenbergstra\"se 4
D-85747 Garching
Germany
;
'Hubert Schmidbaur'
;    Anorganisch-chemisches Institut
der Technischen Universit\"at M\"unchen
Lichtenbergstra\"se 4
D-85747 Garching
Germany
;

#==============================================================================

_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C26 H24 Au Cl2 O3 P S' 
_chemical_formula_weight          715.35 

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' 
'O'  'O'   0.0106   0.0060 
'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                    18.7637(2) 
_cell_length_b                    16.5719(2) 
_cell_length_c                    17.9879(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  111.590(1) 
_cell_angle_gamma                 90.00 
_cell_volume                      5200.91(10) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     143(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        plate 
_exptl_crystal_colour             pale yellow 
_exptl_crystal_size_max           0.60 
_exptl_crystal_size_mid           0.20 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.827 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2784 
_exptl_absorpt_coefficient_mu     6.031 
_exptl_absorpt_correction_type    'DELABS (Platon)' 
_exptl_absorpt_correction_T_min   0.1225 
_exptl_absorpt_correction_T_max   0.5838 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       143(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   'Nonius DIP 2020' 
_diffrn_measurement_method        'phi rotation' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             41169 
_diffrn_reflns_av_R_equivalents   0.0409 
_diffrn_reflns_av_sigmaI/netI     0.0320 
_diffrn_reflns_limit_h_min        -24 
_diffrn_reflns_limit_h_max        24 
_diffrn_reflns_limit_k_min        -21 
_diffrn_reflns_limit_k_max        21 
_diffrn_reflns_limit_l_min        -23 
_diffrn_reflns_limit_l_max        23 
_diffrn_reflns_theta_min          3.30 
_diffrn_reflns_theta_max          27.13 
_reflns_number_total              5720 
_reflns_number_gt                 5331 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        XPRESS 
_computing_cell_refinement        SCALEPACK 
_computing_data_reduction         DENZO 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     SHELXTL-PLUS 
_computing_publication_material   'SHELXL-97 (Sheldrick, 1997)'  

_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^)+(0.0129P)^2^+16.8731P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     riding
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5720 
_refine_ls_number_parameters      307 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0310 
_refine_ls_R_factor_gt            0.0276 
_refine_ls_wR_factor_ref          0.0646 
_refine_ls_wR_factor_gt           0.0633 
_refine_ls_goodness_of_fit_ref    1.148 
_refine_ls_restrained_S_all       1.148 
_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 0.468357(7) 0.307077(8) 0.155050(8) 0.03047(5) Uani 1 1 d . . . 
P1 P 0.38403(5) 0.40589(5) 0.11050(5) 0.02680(18) Uani 1 1 d . . . 
S1 S 0.57650(6) 0.17840(6) 0.12966(6) 0.0385(2) Uani 1 1 d . . . 
O1 O 0.54392(17) 0.20962(16) 0.18820(17) 0.0440(7) Uani 1 1 d . . . 
O2 O 0.5265(3) 0.19580(18) 0.0488(2) 0.0629(10) Uani 1 1 d . . . 
O3 O 0.6539(2) 0.2040(2) 0.1506(3) 0.0789(13) Uani 1 1 d . . . 
C1 C 0.5770(2) 0.0728(2) 0.1430(2) 0.0346(8) Uani 1 1 d . . . 
C2 C 0.5823(3) 0.0235(3) 0.0831(3) 0.0559(12) Uani 1 1 d . . . 
H2B H 0.5840 0.0462 0.0353 0.067 Uiso 1 1 calc R . . 
C3 C 0.5851(3) -0.0593(3) 0.0936(3) 0.0611(13) Uani 1 1 d . . . 
H3B H 0.5886 -0.0930 0.0524 0.073 Uiso 1 1 calc R . . 
C4 C 0.5829(3) -0.0937(3) 0.1609(3) 0.0525(11) Uani 1 1 d . . . 
C5 C 0.5767(3) -0.0446(3) 0.2196(3) 0.0650(14) Uani 1 1 d . . . 
H5A H 0.5747 -0.0679 0.2670 0.078 Uiso 1 1 calc R . . 
C6 C 0.5731(3) 0.0394(3) 0.2107(3) 0.0545(12) Uani 1 1 d . . . 
H6A H 0.5681 0.0728 0.2514 0.065 Uiso 1 1 calc R . . 
C7 C 0.5873(4) -0.1847(3) 0.1723(4) 0.0801(19) Uani 1 1 d . . . 
H7A H 0.5915 -0.2105 0.1250 0.120 Uiso 1 1 calc R . . 
H7B H 0.5409 -0.2039 0.1795 0.120 Uiso 1 1 calc R . . 
H7C H 0.6323 -0.1984 0.2196 0.120 Uiso 1 1 calc R . . 
C111 C 0.4249(2) 0.4946(2) 0.0828(2) 0.0301(7) Uani 1 1 d . . . 
C112 C 0.3887(3) 0.5360(3) 0.0128(3) 0.0533(12) Uani 1 1 d . . . 
H11A H 0.3411 0.5169 -0.0243 0.064 Uiso 1 1 calc R . . 
C113 C 0.4213(3) 0.6053(3) -0.0039(3) 0.0604(14) Uani 1 1 d . . . 
H11B H 0.3953 0.6339 -0.0520 0.072 Uiso 1 1 calc R . . 
C114 C 0.4898(3) 0.6328(3) 0.0475(3) 0.0470(10) Uani 1 1 d . . . 
H11C H 0.5120 0.6800 0.0352 0.056 Uiso 1 1 calc R . . 
C115 C 0.5264(3) 0.5920(3) 0.1172(4) 0.0702(17) Uani 1 1 d . . . 
H11D H 0.5741 0.6112 0.1539 0.084 Uiso 1 1 calc R . . 
C116 C 0.4944(3) 0.5227(3) 0.1344(3) 0.0606(14) Uani 1 1 d . . . 
H11E H 0.5207 0.4942 0.1825 0.073 Uiso 1 1 calc R . . 
C121 C 0.3048(2) 0.3753(2) 0.0208(2) 0.0303(7) Uani 1 1 d . . . 
C122 C 0.2319(2) 0.4074(3) 0.0020(2) 0.0429(9) Uani 1 1 d . . . 
H12A H 0.2219 0.4441 0.0375 0.051 Uiso 1 1 calc R . . 
C123 C 0.1737(2) 0.3854(3) -0.0692(3) 0.0506(11) Uani 1 1 d . . . 
H12B H 0.1238 0.4074 -0.0823 0.061 Uiso 1 1 calc R . . 
C124 C 0.1877(3) 0.3320(3) -0.1206(2) 0.0457(10) Uani 1 1 d . . . 
H12C H 0.1478 0.3176 -0.1692 0.055 Uiso 1 1 calc R . . 
C125 C 0.2596(3) 0.2996(3) -0.1015(3) 0.0479(10) Uani 1 1 d . . . 
H12D H 0.2692 0.2626 -0.1370 0.057 Uiso 1 1 calc R . . 
C126 C 0.3180(2) 0.3203(2) -0.0308(2) 0.0397(9) Uani 1 1 d . . . 
H12E H 0.3674 0.2968 -0.0175 0.048 Uiso 1 1 calc R . . 
C131 C 0.34175(19) 0.4394(2) 0.1808(2) 0.0287(7) Uani 1 1 d . . . 
C132 C 0.3174(2) 0.5194(2) 0.1805(2) 0.0371(8) Uani 1 1 d . . . 
H13A H 0.3251 0.5578 0.1450 0.045 Uiso 1 1 calc R . . 
C133 C 0.2817(2) 0.5419(3) 0.2331(3) 0.0449(10) Uani 1 1 d . . . 
H13B H 0.2647 0.5959 0.2331 0.054 Uiso 1 1 calc R . . 
C134 C 0.2710(2) 0.4862(3) 0.2848(3) 0.0479(10) Uani 1 1 d . . . 
H13C H 0.2474 0.5024 0.3209 0.058 Uiso 1 1 calc R . . 
C135 C 0.2941(2) 0.4070(3) 0.2848(2) 0.0433(9) Uani 1 1 d . . . 
H13D H 0.2855 0.3689 0.3200 0.052 Uiso 1 1 calc R . . 
C136 C 0.3299(2) 0.3835(2) 0.2333(2) 0.0334(8) Uani 1 1 d . . . 
H13E H 0.3464 0.3293 0.2337 0.040 Uiso 1 1 calc R . . 
C01 C 0.6427(5) 0.2044(4) -0.0565(6) 0.101(2) Uani 1 1 d . . . 
H01A H 0.5861 0.2053 -0.0740 0.121 Uiso 1 1 calc R . . 
H01B H 0.6643 0.2253 -0.0010 0.121 Uiso 1 1 calc R . . 
Cl1 Cl 0.67337(15) 0.10583(12) -0.05833(14) 0.1143(7) Uani 1 1 d . . . 
Cl2 Cl 0.6701(3) 0.26471(14) -0.11671(17) 0.1803(15) Uani 1 1 d . . . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Au1 0.03017(8) 0.02809(8) 0.03223(9) 0.00200(5) 0.01040(6) 0.00767(5) 
P1 0.0262(4) 0.0237(4) 0.0284(4) 0.0010(3) 0.0076(3) 0.0034(3) 
S1 0.0447(5) 0.0301(4) 0.0451(6) 0.0001(4) 0.0217(5) 0.0077(4) 
O1 0.0554(17) 0.0373(15) 0.0368(15) 0.0050(12) 0.0139(13) 0.0285(13) 
O2 0.106(3) 0.0449(18) 0.0381(17) 0.0095(13) 0.0272(19) 0.0194(18) 
O3 0.054(2) 0.0391(18) 0.153(4) 0.002(2) 0.049(3) -0.0015(15) 
C1 0.0307(17) 0.0299(18) 0.042(2) -0.0029(16) 0.0125(16) 0.0034(15) 
C2 0.085(4) 0.041(2) 0.048(3) -0.005(2) 0.031(3) 0.007(2) 
C3 0.080(4) 0.042(3) 0.065(3) -0.009(2) 0.031(3) 0.008(2) 
C4 0.042(2) 0.039(2) 0.067(3) -0.005(2) 0.009(2) -0.0023(18) 
C5 0.088(4) 0.050(3) 0.055(3) 0.007(2) 0.023(3) -0.021(3) 
C6 0.079(3) 0.043(2) 0.045(2) -0.008(2) 0.027(2) -0.016(2) 
C7 0.083(4) 0.046(3) 0.098(5) -0.003(3) 0.017(4) -0.011(3) 
C111 0.0298(17) 0.0277(17) 0.0336(18) 0.0007(14) 0.0126(15) 0.0042(14) 
C112 0.057(3) 0.050(3) 0.038(2) 0.0121(19) -0.001(2) -0.019(2) 
C113 0.075(3) 0.053(3) 0.039(2) 0.015(2) 0.004(2) -0.018(2) 
C114 0.047(2) 0.039(2) 0.060(3) 0.006(2) 0.027(2) -0.0062(18) 
C115 0.037(2) 0.060(3) 0.087(4) 0.028(3) -0.008(2) -0.016(2) 
C116 0.039(2) 0.052(3) 0.067(3) 0.031(2) -0.009(2) -0.008(2) 
C121 0.0323(17) 0.0242(16) 0.0321(18) 0.0022(14) 0.0092(15) -0.0007(14) 
C122 0.034(2) 0.044(2) 0.040(2) -0.0069(18) 0.0020(17) 0.0080(17) 
C123 0.036(2) 0.050(3) 0.052(3) -0.003(2) 0.0007(19) 0.0022(19) 
C124 0.052(2) 0.038(2) 0.034(2) 0.0000(17) 0.0004(19) -0.0135(19) 
C125 0.052(3) 0.047(2) 0.045(2) -0.0132(19) 0.017(2) -0.016(2) 
C126 0.040(2) 0.038(2) 0.041(2) -0.0076(17) 0.0162(18) -0.0064(17) 
C131 0.0253(16) 0.0291(17) 0.0272(17) -0.0019(13) 0.0044(13) 0.0027(13) 
C132 0.038(2) 0.0305(19) 0.041(2) -0.0018(16) 0.0113(17) 0.0074(15) 
C133 0.041(2) 0.043(2) 0.048(2) -0.0084(19) 0.0135(19) 0.0110(18) 
C134 0.041(2) 0.064(3) 0.041(2) -0.008(2) 0.0175(19) 0.008(2) 
C135 0.037(2) 0.057(3) 0.035(2) 0.0023(18) 0.0122(17) 0.0005(19) 
C136 0.0278(17) 0.0364(19) 0.0327(19) 0.0006(15) 0.0072(15) 0.0005(15) 
C01 0.106(6) 0.085(5) 0.137(7) 0.022(4) 0.075(5) 0.027(4) 
Cl1 0.155(2) 0.0854(12) 0.1226(16) 0.0077(11) 0.0748(15) 0.0361(12) 
Cl2 0.373(5) 0.0863(14) 0.142(2) -0.0027(14) 0.166(3) -0.032(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 O1 2.086(2) . ? 
Au1 P1 2.2123(8) . ? 
Au1 Au1 3.1770(3) 2_655 ? 
P1 C131 1.809(4) . ? 
P1 C111 1.811(4) . ? 
P1 C121 1.818(4) . ? 
S1 O3 1.425(4) . ? 
S1 O2 1.441(4) . ? 
S1 O1 1.491(3) . ? 
S1 C1 1.765(4) . ? 
C1 C6 1.365(6) . ? 
C1 C2 1.384(6) . ? 
C2 C3 1.384(6) . ? 
C2 H2B 0.9500 . ? 
C3 C4 1.352(7) . ? 
C3 H3B 0.9500 . ? 
C4 C5 1.372(7) . ? 
C4 C7 1.519(6) . ? 
C5 C6 1.399(7) . ? 
C5 H5A 0.9500 . ? 
C6 H6A 0.9500 . ? 
C7 H7A 0.9800 . ? 
C7 H7B 0.9800 . ? 
C7 H7C 0.9800 . ? 
C111 C116 1.373(5) . ? 
C111 C112 1.375(5) . ? 
C112 C113 1.385(6) . ? 
C112 H11A 0.9500 . ? 
C113 C114 1.357(6) . ? 
C113 H11B 0.9500 . ? 
C114 C115 1.367(7) . ? 
C114 H11C 0.9500 . ? 
C115 C116 1.383(6) . ? 
C115 H11D 0.9500 . ? 
C116 H11E 0.9500 . ? 
C121 C126 1.386(5) . ? 
C121 C122 1.388(5) . ? 
C122 C123 1.392(6) . ? 
C122 H12A 0.9500 . ? 
C123 C124 1.373(6) . ? 
C123 H12B 0.9500 . ? 
C124 C125 1.373(7) . ? 
C124 H12C 0.9500 . ? 
C125 C126 1.383(6) . ? 
C125 H12D 0.9500 . ? 
C126 H12E 0.9500 . ? 
C131 C136 1.399(5) . ? 
C131 C132 1.401(5) . ? 
C132 C133 1.394(6) . ? 
C132 H13A 0.9500 . ? 
C133 C134 1.376(6) . ? 
C133 H13B 0.9500 . ? 
C134 C135 1.382(6) . ? 
C134 H13C 0.9500 . ? 
C135 C136 1.385(5) . ? 
C135 H13D 0.9500 . ? 
C136 H13E 0.9500 . ? 
C01 Cl2 1.688(7) . ? 
C01 Cl1 1.737(7) . ? 
C01 H01A 0.9900 . ? 
C01 H01B 0.9900 . ? 

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 
O1 Au1 P1 175.47(8) . . ? 
O1 Au1 Au1 75.34(8) . 2_655 ? 
P1 Au1 Au1 108.90(2) . 2_655 ? 
C131 P1 C111 106.38(16) . . ? 
C131 P1 C121 106.27(16) . . ? 
C111 P1 C121 105.85(16) . . ? 
C131 P1 Au1 114.40(11) . . ? 
C111 P1 Au1 112.43(11) . . ? 
C121 P1 Au1 110.95(11) . . ? 
O3 S1 O2 115.4(3) . . ? 
O3 S1 O1 110.7(2) . . ? 
O2 S1 O1 111.13(19) . . ? 
O3 S1 C1 107.76(19) . . ? 
O2 S1 C1 107.71(19) . . ? 
O1 S1 C1 103.36(18) . . ? 
S1 O1 Au1 118.61(16) . . ? 
C6 C1 C2 119.8(4) . . ? 
C6 C1 S1 121.6(3) . . ? 
C2 C1 S1 118.6(3) . . ? 
C3 C2 C1 119.3(4) . . ? 
C3 C2 H2B 120.3 . . ? 
C1 C2 H2B 120.3 . . ? 
C4 C3 C2 121.9(5) . . ? 
C4 C3 H3B 119.0 . . ? 
C2 C3 H3B 119.0 . . ? 
C3 C4 C5 118.5(4) . . ? 
C3 C4 C7 121.4(5) . . ? 
C5 C4 C7 120.1(5) . . ? 
C4 C5 C6 121.1(5) . . ? 
C4 C5 H5A 119.4 . . ? 
C6 C5 H5A 119.4 . . ? 
C1 C6 C5 119.4(4) . . ? 
C1 C6 H6A 120.3 . . ? 
C5 C6 H6A 120.3 . . ? 
C4 C7 H7A 109.5 . . ? 
C4 C7 H7B 109.5 . . ? 
H7A C7 H7B 109.5 . . ? 
C4 C7 H7C 109.5 . . ? 
H7A C7 H7C 109.5 . . ? 
H7B C7 H7C 109.5 . . ? 
C116 C111 C112 118.5(4) . . ? 
C116 C111 P1 118.8(3) . . ? 
C112 C111 P1 122.7(3) . . ? 
C111 C112 C113 120.2(4) . . ? 
C111 C112 H11A 119.9 . . ? 
C113 C112 H11A 119.9 . . ? 
C114 C113 C112 121.0(4) . . ? 
C114 C113 H11B 119.5 . . ? 
C112 C113 H11B 119.5 . . ? 
C113 C114 C115 119.3(4) . . ? 
C113 C114 H11C 120.4 . . ? 
C115 C114 H11C 120.4 . . ? 
C114 C115 C116 120.2(4) . . ? 
C114 C115 H11D 119.9 . . ? 
C116 C115 H11D 119.9 . . ? 
C111 C116 C115 120.8(4) . . ? 
C111 C116 H11E 119.6 . . ? 
C115 C116 H11E 119.6 . . ? 
C126 C121 C122 119.4(4) . . ? 
C126 C121 P1 119.2(3) . . ? 
C122 C121 P1 121.4(3) . . ? 
C121 C122 C123 119.6(4) . . ? 
C121 C122 H12A 120.2 . . ? 
C123 C122 H12A 120.2 . . ? 
C124 C123 C122 120.5(4) . . ? 
C124 C123 H12B 119.7 . . ? 
C122 C123 H12B 119.7 . . ? 
C123 C124 C125 119.9(4) . . ? 
C123 C124 H12C 120.1 . . ? 
C125 C124 H12C 120.1 . . ? 
C124 C125 C126 120.4(4) . . ? 
C124 C125 H12D 119.8 . . ? 
C126 C125 H12D 119.8 . . ? 
C125 C126 C121 120.1(4) . . ? 
C125 C126 H12E 119.9 . . ? 
C121 C126 H12E 119.9 . . ? 
C136 C131 C132 119.7(3) . . ? 
C136 C131 P1 119.3(3) . . ? 
C132 C131 P1 121.0(3) . . ? 
C133 C132 C131 119.2(4) . . ? 
C133 C132 H13A 120.4 . . ? 
C131 C132 H13A 120.4 . . ? 
C134 C133 C132 120.3(4) . . ? 
C134 C133 H13B 119.8 . . ? 
C132 C133 H13B 119.8 . . ? 
C133 C134 C135 120.8(4) . . ? 
C133 C134 H13C 119.6 . . ? 
C135 C134 H13C 119.6 . . ? 
C134 C135 C136 119.7(4) . . ? 
C134 C135 H13D 120.1 . . ? 
C136 C135 H13D 120.1 . . ? 
C135 C136 C131 120.2(4) . . ? 
C135 C136 H13E 119.9 . . ? 
C131 C136 H13E 119.9 . . ? 
Cl2 C01 Cl1 111.3(4) . . ? 
Cl2 C01 H01A 109.4 . . ? 
Cl1 C01 H01A 109.4 . . ? 
Cl2 C01 H01B 109.4 . . ? 
Cl1 C01 H01B 109.4 . . ? 
H01A C01 H01B 108.0 . . ? 

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 
O1 Au1 P1 C131 137.0(12) . . . . ? 
Au1 Au1 P1 C131 -22.05(13) 2_655 . . . ? 
O1 Au1 P1 C111 -101.5(12) . . . . ? 
Au1 Au1 P1 C111 99.43(13) 2_655 . . . ? 
O1 Au1 P1 C121 16.8(12) . . . . ? 
Au1 Au1 P1 C121 -142.26(13) 2_655 . . . ? 
O3 S1 O1 Au1 103.8(2) . . . . ? 
O2 S1 O1 Au1 -25.8(3) . . . . ? 
C1 S1 O1 Au1 -141.07(19) . . . . ? 
P1 Au1 O1 S1 41.6(13) . . . . ? 
Au1 Au1 O1 S1 -158.9(2) 2_655 . . . ? 
O3 S1 C1 C6 97.7(4) . . . . ? 
O2 S1 C1 C6 -137.2(4) . . . . ? 
O1 S1 C1 C6 -19.5(4) . . . . ? 
O3 S1 C1 C2 -81.6(4) . . . . ? 
O2 S1 C1 C2 43.5(4) . . . . ? 
O1 S1 C1 C2 161.2(4) . . . . ? 
C6 C1 C2 C3 -1.2(7) . . . . ? 
S1 C1 C2 C3 178.1(4) . . . . ? 
C1 C2 C3 C4 -0.2(8) . . . . ? 
C2 C3 C4 C5 1.0(8) . . . . ? 
C2 C3 C4 C7 -179.0(5) . . . . ? 
C3 C4 C5 C6 -0.5(8) . . . . ? 
C7 C4 C5 C6 179.5(5) . . . . ? 
C2 C1 C6 C5 1.7(7) . . . . ? 
S1 C1 C6 C5 -177.6(4) . . . . ? 
C4 C5 C6 C1 -0.9(8) . . . . ? 
C131 P1 C111 C116 79.0(4) . . . . ? 
C121 P1 C111 C116 -168.3(4) . . . . ? 
Au1 P1 C111 C116 -47.0(4) . . . . ? 
C131 P1 C111 C112 -99.9(4) . . . . ? 
C121 P1 C111 C112 12.8(4) . . . . ? 
Au1 P1 C111 C112 134.1(3) . . . . ? 
C116 C111 C112 C113 -1.4(7) . . . . ? 
P1 C111 C112 C113 177.5(4) . . . . ? 
C111 C112 C113 C114 1.2(8) . . . . ? 
C112 C113 C114 C115 -0.9(8) . . . . ? 
C113 C114 C115 C116 0.8(9) . . . . ? 
C112 C111 C116 C115 1.4(8) . . . . ? 
P1 C111 C116 C115 -177.6(5) . . . . ? 
C114 C115 C116 C111 -1.1(9) . . . . ? 
C131 P1 C121 C126 -155.9(3) . . . . ? 
C111 P1 C121 C126 91.3(3) . . . . ? 
Au1 P1 C121 C126 -31.0(3) . . . . ? 
C131 P1 C121 C122 25.7(4) . . . . ? 
C111 P1 C121 C122 -87.2(3) . . . . ? 
Au1 P1 C121 C122 150.6(3) . . . . ? 
C126 C121 C122 C123 -1.5(6) . . . . ? 
P1 C121 C122 C123 176.9(3) . . . . ? 
C121 C122 C123 C124 0.3(7) . . . . ? 
C122 C123 C124 C125 0.5(7) . . . . ? 
C123 C124 C125 C126 -0.1(7) . . . . ? 
C124 C125 C126 C121 -1.2(6) . . . . ? 
C122 C121 C126 C125 2.0(6) . . . . ? 
P1 C121 C126 C125 -176.5(3) . . . . ? 
C111 P1 C131 C136 -157.7(3) . . . . ? 
C121 P1 C131 C136 89.8(3) . . . . ? 
Au1 P1 C131 C136 -33.0(3) . . . . ? 
C111 P1 C131 C132 25.4(3) . . . . ? 
C121 P1 C131 C132 -87.0(3) . . . . ? 
Au1 P1 C131 C132 150.2(3) . . . . ? 
C136 C131 C132 C133 0.1(5) . . . . ? 
P1 C131 C132 C133 176.9(3) . . . . ? 
C131 C132 C133 C134 0.3(6) . . . . ? 
C132 C133 C134 C135 -1.0(7) . . . . ? 
C133 C134 C135 C136 1.2(6) . . . . ? 
C134 C135 C136 C131 -0.8(6) . . . . ? 
C132 C131 C136 C135 0.1(5) . . . . ? 
P1 C131 C136 C135 -176.8(3) . . . . ? 

_diffrn_measured_fraction_theta_max    0.994 
_diffrn_reflns_theta_full              27.13 
_diffrn_measured_fraction_theta_full   0.994 
_refine_diff_density_max    0.842 
_refine_diff_density_min   -0.870 
_refine_diff_density_rms    0.092