# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2001
# CCDC Number: 440/249

data_WSe4(AuPPh3)2 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C36 H30 Au2 P2 Se4 W' 
_chemical_formula_weight          1418.16 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
  
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' 
 'Se'  'Se'  -0.0929   2.2259 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'W'  'W'  -0.8490   6.8722 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Au'  'Au'  -2.0133   8.8022 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Triclinic 
_symmetry_space_group_name_H-M    P-1 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
  
_cell_length_a                    9.593(2) 
_cell_length_b                    10.825(2) 
_cell_length_c                    19.936(4) 
_cell_angle_alpha                 89.54(3) 
_cell_angle_beta                  80.41(3) 
_cell_angle_gamma                 68.45(3) 
_cell_volume                      1895.3(7) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       1.00 
_cell_measurement_theta_max       26.00 
  
_exptl_crystal_description        prism 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.45 
_exptl_crystal_size_mid           0.22 
_exptl_crystal_size_min           0.15 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.485 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1288 
_exptl_absorpt_coefficient_mu     14.699 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Siemens P4' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             7897 
_diffrn_reflns_av_R_equivalents   0.0288 
_diffrn_reflns_av_sigmaI/netI     0.0442 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        0 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        -24 
_diffrn_reflns_limit_l_max        24 
_diffrn_reflns_theta_min          1.04 
_diffrn_reflns_theta_max          25.97 
_reflns_number_total              7425 
_reflns_number_observed           5758 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Siemens XSCANS' 
_computing_cell_refinement        'Siemens XSCANS' 
_computing_data_reduction         'Siemens SHELXTL' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 1 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.1933P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          7424 
_refine_ls_number_parameters      406 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0713 
_refine_ls_R_factor_obs           0.0656 
_refine_ls_wR_factor_all          0.1452 
_refine_ls_wR_factor_obs          0.1213 
_refine_ls_goodness_of_fit_all    1.008 
_refine_ls_goodness_of_fit_obs    1.085 
_refine_ls_restrained_S_all       1.013 
_refine_ls_restrained_S_obs       1.085 
_refine_ls_shift/esd_max          -0.001 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
W W 0.58055(7) 0.25583(5) 0.25877(3) 0.0327(2) Uani 1 d . . 
Au1 Au 0.50626(8) 0.50099(6) 0.33551(3) 0.0433(2) Uani 1 d . . 
Au2 Au 0.67021(8) 0.00229(6) 0.18494(3) 0.0423(2) Uani 1 d . . 
Se1 Se 0.3486(2) 0.3595(2) 0.33486(8) 0.0442(4) Uani 1 d . . 
Se2 Se 0.7397(2) 0.3791(2) 0.24928(10) 0.0552(5) Uani 1 d . . 
Se3 Se 0.5228(2) 0.2325(2) 0.15037(8) 0.0472(4) Uani 1 d . . 
Se4 Se 0.7110(2) 0.0503(2) 0.30195(9) 0.0497(5) Uani 1 d . . 
P1 P 0.4280(5) 0.6994(4) 0.3975(2) 0.0393(9) Uani 1 d . . 
P2 P 0.7534(5) -0.1859(4) 0.1136(2) 0.0360(9) Uani 1 d . . 
C11 C 0.2870(18) 0.7158(16) 0.4750(8) 0.041(4) Uani 1 d . . 
C12 C 0.2681(20) 0.6050(19) 0.5016(9) 0.052(4) Uani 1 d . . 
H12A H 0.3269(20) 0.5212(19) 0.4808(9) 0.063 Uiso 1 calc R . 
C13 C 0.1598(28) 0.6187(24) 0.5600(11) 0.074(6) Uani 1 d . . 
H13A H 0.1447(28) 0.5436(24) 0.5773(11) 0.089 Uiso 1 calc R . 
C14 C 0.0754(24) 0.7408(25) 0.5923(10) 0.067(6) Uani 1 d . . 
H14A H 0.0062(24) 0.7493(25) 0.6323(10) 0.081 Uiso 1 calc R . 
C15 C 0.0954(22) 0.8501(21) 0.5642(9) 0.056(5) Uani 1 d . . 
H15A H 0.0342(22) 0.9338(21) 0.5845(9) 0.067 Uiso 1 calc R . 
C16 C 0.2012(24) 0.8420(18) 0.5076(10) 0.056(5) Uani 1 d . . 
H16A H 0.2162(24) 0.9176(18) 0.4912(10) 0.067 Uiso 1 calc R . 
C21 C 0.3300(18) 0.8331(15) 0.3464(8) 0.038(3) Uani 1 d . . 
C22 C 0.2072(18) 0.8198(18) 0.3179(9) 0.046(4) Uani 1 d . . 
H22A H 0.1783(18) 0.7475(18) 0.3275(9) 0.055 Uiso 1 calc R . 
C23 C 0.1333(22) 0.9145(26) 0.2766(10) 0.068(6) Uani 1 d . . 
H23A H 0.0566(22) 0.9045(26) 0.2568(10) 0.082 Uiso 1 calc R . 
C24 C 0.1712(24) 1.0231(20) 0.2643(9) 0.059(5) Uani 1 d . . 
H24A H 0.1165(24) 1.0870(20) 0.2373(9) 0.071 Uiso 1 calc R . 
C25 C 0.2833(25) 1.0423(22) 0.2893(10) 0.063(5) Uani 1 d . . 
H25A H 0.3078(25) 1.1166(22) 0.2788(10) 0.076 Uiso 1 calc R . 
C26 C 0.3665(20) 0.9438(16) 0.3335(9) 0.047(4) Uani 1 d . . 
H26A H 0.4430(20) 0.9558(16) 0.3526(9) 0.057 Uiso 1 calc R . 
C31 C 0.5818(20) 0.7393(15) 0.4204(8) 0.043(4) Uani 1 d . . 
C32 C 0.7129(21) 0.7154(19) 0.3743(9) 0.050(4) Uani 1 d . . 
H32A H 0.7201(21) 0.6797(19) 0.3310(9) 0.060 Uiso 1 calc R . 
C33 C 0.8377(23) 0.7424(25) 0.3896(11) 0.066(6) Uani 1 d . . 
H33A H 0.9228(23) 0.7285(25) 0.3561(11) 0.079 Uiso 1 calc R . 
C34 C 0.8333(27) 0.7895(21) 0.4542(11) 0.065(6) Uani 1 d . . 
H34A H 0.9145(27) 0.8068(21) 0.4658(11) 0.078 Uiso 1 calc R . 
C35 C 0.6999(30) 0.8099(24) 0.5015(12) 0.075(6) Uani 1 d . . 
H35A H 0.6947(30) 0.8400(24) 0.5458(12) 0.090 Uiso 1 calc R . 
C36 C 0.5793(22) 0.7882(19) 0.4862(10) 0.052(4) Uani 1 d . . 
H36A H 0.4929(22) 0.8057(19) 0.5194(10) 0.062 Uiso 1 calc R . 
C41 C 0.6118(19) -0.2506(16) 0.0997(8) 0.040(3) Uani 1 d . . 
C42 C 0.5809(26) -0.2786(22) 0.0372(10) 0.064(6) Uani 1 d . . 
H42A H 0.6336(26) -0.2586(22) -0.0022(10) 0.076 Uiso 1 calc R . 
C43 C 0.4782(30) -0.3332(23) 0.0310(10) 0.072(6) Uani 1 d . . 
H43A H 0.4612(30) -0.3492(23) -0.0121(10) 0.087 Uiso 1 calc R . 
C44 C 0.3957(21) -0.3666(21) 0.0891(10) 0.056(5) Uani 1 d . . 
H44A H 0.3283(21) -0.4088(21) 0.0855(10) 0.067 Uiso 1 calc R . 
C45 C 0.4211(25) -0.3326(22) 0.1531(10) 0.067(6) Uani 1 d . . 
H45A H 0.3676(25) -0.3510(22) 0.1927(10) 0.081 Uiso 1 calc R . 
C46 C 0.5219(21) -0.2737(20) 0.1578(9) 0.053(5) Uani 1 d . . 
H46A H 0.5318(21) -0.2480(20) 0.2006(9) 0.064 Uiso 1 calc R . 
C51 C 0.9017(17) -0.3312(15) 0.1407(8) 0.036(3) Uani 1 d . . 
C52 C 0.9645(21) -0.3237(17) 0.1958(10) 0.050(4) Uani 1 d . . 
H52A H 0.9351(21) -0.2417(17) 0.2193(10) 0.060 Uiso 1 calc R . 
C53 C 1.0698(25) -0.4328(23) 0.2181(12) 0.070(6) Uani 1 d . . 
H53A H 1.1100(25) -0.4235(23) 0.2563(12) 0.084 Uiso 1 calc R . 
C54 C 1.1168(20) -0.5557(22) 0.1848(12) 0.063(6) Uani 1 d . . 
H54A H 1.1895(20) -0.6295(22) 0.1995(12) 0.076 Uiso 1 calc R . 
C55 C 1.0527(25) -0.5669(19) 0.1283(13) 0.070(6) Uani 1 d . . 
H55A H 1.0843(25) -0.6489(19) 0.1045(13) 0.084 Uiso 1 calc R . 
C56 C 0.9395(23) -0.4542(17) 0.1069(11) 0.057(5) Uani 1 d . . 
H56A H 0.8919(23) -0.4625(17) 0.0711(11) 0.069 Uiso 1 calc R . 
C61 C 0.8445(19) -0.1537(17) 0.0306(9) 0.044(4) Uani 1 d . . 
C62 C 0.9999(22) -0.2127(22) 0.0055(9) 0.057(5) Uani 1 d . . 
H62A H 1.0627(22) -0.2765(22) 0.0299(9) 0.068 Uiso 1 calc R . 
C63 C 1.0589(25) -0.1778(29) -0.0536(12) 0.078(7) Uani 1 d . . 
H63A H 1.1622(25) -0.2208(29) -0.0705(12) 0.094 Uiso 1 calc R . 
C64 C 0.9697(27) -0.0782(26) -0.0911(12) 0.075(7) Uani 1 d . . 
H64A H 1.0138(27) -0.0515(26) -0.1309(12) 0.090 Uiso 1 calc R . 
C65 C 0.8217(28) -0.0234(21) -0.0683(10) 0.066(6) Uani 1 d . . 
H65A H 0.7616(28) 0.0408(21) -0.0935(10) 0.079 Uiso 1 calc R . 
C66 C 0.7517(28) -0.0580(20) -0.0079(11) 0.071(6) Uani 1 d . . 
H66A H 0.6761(28) -0.0905(20) -0.0191(11) 0.085 Uiso 1 calc R . 
H66B H 0.6976(28) 0.0225(20) 0.0212(11) 0.085 Uiso 1 calc R . 
  
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
W 0.0431(4) 0.0293(4) 0.0249(3) -0.0004(2) -0.0040(3) -0.0135(3) 
Au1 0.0612(5) 0.0330(4) 0.0355(4) -0.0048(3) -0.0056(3) -0.0184(3) 
Au2 0.0534(4) 0.0360(4) 0.0360(4) -0.0072(3) -0.0017(3) -0.0172(3) 
Se1 0.0509(9) 0.0480(9) 0.0348(8) -0.0050(7) 0.0025(7) -0.0237(8) 
Se2 0.0582(11) 0.0522(11) 0.0581(11) -0.0077(9) 0.0080(9) -0.0317(9) 
Se3 0.0630(11) 0.0467(9) 0.0266(8) 0.0024(7) -0.0114(7) -0.0126(8) 
Se4 0.0708(12) 0.0360(9) 0.0425(9) 0.0054(7) -0.0257(9) -0.0136(8) 
P1 0.051(2) 0.034(2) 0.035(2) -0.004(2) -0.001(2) -0.021(2) 
P2 0.049(2) 0.034(2) 0.027(2) -0.004(2) -0.004(2) -0.019(2) 
C11 0.045(9) 0.039(8) 0.031(8) -0.003(6) -0.001(7) -0.008(7) 
C12 0.051(10) 0.048(10) 0.048(10) 0.017(8) -0.001(8) -0.010(8) 
C13 0.092(16) 0.075(15) 0.048(11) 0.030(11) 0.005(11) -0.031(13) 
C14 0.059(12) 0.093(17) 0.033(9) 0.015(10) -0.002(8) -0.012(11) 
C15 0.060(11) 0.062(12) 0.037(9) 0.000(8) -0.010(8) -0.012(9) 
C16 0.078(13) 0.041(9) 0.044(10) -0.005(8) -0.009(9) -0.018(9) 
C21 0.048(9) 0.030(7) 0.028(7) -0.003(6) 0.004(6) -0.009(7) 
C22 0.041(9) 0.053(10) 0.049(10) 0.004(8) -0.013(8) -0.023(8) 
C23 0.047(11) 0.112(19) 0.044(11) 0.001(11) -0.022(9) -0.020(11) 
C24 0.079(14) 0.054(11) 0.037(9) 0.011(8) -0.017(9) -0.013(10) 
C25 0.084(14) 0.070(13) 0.049(11) 0.018(10) -0.018(10) -0.041(12) 
C26 0.055(10) 0.041(9) 0.054(10) 0.000(8) -0.017(8) -0.024(8) 
C31 0.069(11) 0.038(9) 0.035(8) 0.011(7) -0.014(8) -0.033(8) 
C32 0.062(11) 0.057(11) 0.037(9) 0.006(8) -0.009(8) -0.030(9) 
C33 0.057(11) 0.100(17) 0.053(12) 0.010(11) -0.018(10) -0.040(12) 
C34 0.085(15) 0.059(12) 0.071(14) 0.022(10) -0.041(12) -0.038(11) 
C35 0.107(18) 0.077(15) 0.056(13) -0.009(11) -0.024(13) -0.049(14) 
C36 0.062(11) 0.060(11) 0.045(10) -0.002(8) -0.012(9) -0.035(10) 
C41 0.052(9) 0.037(8) 0.028(7) 0.004(6) -0.012(7) -0.011(7) 
C42 0.093(15) 0.080(14) 0.043(10) 0.029(10) -0.030(10) -0.055(13) 
C43 0.123(19) 0.080(15) 0.040(10) 0.021(10) -0.041(12) -0.057(14) 
C44 0.056(11) 0.072(13) 0.048(10) 0.002(9) -0.020(9) -0.028(10) 
C45 0.077(14) 0.077(14) 0.046(11) 0.006(10) 0.018(10) -0.038(12) 
C46 0.062(11) 0.065(12) 0.028(8) 0.001(8) 0.001(8) -0.021(10) 
C51 0.039(8) 0.036(8) 0.031(7) -0.004(6) -0.003(6) -0.012(7) 
C52 0.059(11) 0.035(9) 0.051(10) -0.005(8) -0.018(9) -0.007(8) 
C53 0.067(13) 0.069(14) 0.071(14) -0.013(11) -0.035(11) -0.011(11) 
C54 0.037(9) 0.073(14) 0.073(14) 0.019(11) -0.004(9) -0.015(9) 
C55 0.071(14) 0.034(10) 0.091(17) 0.001(10) -0.008(13) -0.006(9) 
C56 0.072(12) 0.037(9) 0.060(11) -0.017(8) -0.016(10) -0.015(9) 
C61 0.049(9) 0.045(9) 0.045(9) 0.007(7) -0.012(8) -0.025(8) 
C62 0.063(12) 0.078(14) 0.029(8) 0.000(8) 0.006(8) -0.032(10) 
C63 0.056(12) 0.125(22) 0.066(14) -0.012(15) 0.006(11) -0.055(14) 
C64 0.074(15) 0.102(18) 0.055(13) 0.026(12) 0.003(11) -0.044(14) 
C65 0.097(16) 0.057(12) 0.046(11) 0.024(9) -0.002(11) -0.036(12) 
C66 0.106(17) 0.043(11) 0.050(11) -0.001(9) -0.016(12) -0.011(11) 
  
_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 
W Se4 2.353(2) . ? 
W Se2 2.354(2) . ? 
W Se3 2.356(2) . ? 
W Se1 2.362(2) . ? 
W Au1 2.8642(12) . ? 
W Au2 2.8893(13) . ? 
Au1 P1 2.292(4) . ? 
Au1 Se2 2.509(2) . ? 
Au1 Se1 2.518(2) . ? 
Au2 P2 2.299(4) . ? 
Au2 Se4 2.518(2) . ? 
Au2 Se3 2.529(2) . ? 
P1 C31 1.81(2) . ? 
P1 C21 1.82(2) . ? 
P1 C11 1.84(2) . ? 
P2 C41 1.80(2) . ? 
P2 C61 1.83(2) . ? 
P2 C51 1.84(2) . ? 
C11 C12 1.37(2) . ? 
C11 C16 1.41(2) . ? 
C12 C13 1.39(3) . ? 
C13 C14 1.37(3) . ? 
C14 C15 1.37(3) . ? 
C15 C16 1.36(3) . ? 
C21 C26 1.38(2) . ? 
C21 C22 1.44(2) . ? 
C22 C23 1.37(3) . ? 
C23 C24 1.36(3) . ? 
C24 C25 1.34(3) . ? 
C25 C26 1.46(3) . ? 
C31 C32 1.37(2) . ? 
C31 C36 1.41(2) . ? 
C32 C33 1.41(3) . ? 
C33 C34 1.38(3) . ? 
C34 C35 1.40(3) . ? 
C35 C36 1.34(3) . ? 
C41 C42 1.39(2) . ? 
C41 C46 1.40(2) . ? 
C42 C43 1.34(3) . ? 
C43 C44 1.41(3) . ? 
C44 C45 1.41(3) . ? 
C45 C46 1.35(3) . ? 
C51 C52 1.35(2) . ? 
C51 C56 1.39(2) . ? 
C52 C53 1.37(3) . ? 
C53 C54 1.37(3) . ? 
C54 C55 1.40(3) . ? 
C55 C56 1.42(3) . ? 
C61 C62 1.39(2) . ? 
C61 C66 1.41(3) . ? 
C62 C63 1.33(3) . ? 
C63 C64 1.41(3) . ? 
C64 C65 1.32(3) . ? 
C65 C66 1.40(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 
Se4 W Se2 107.45(8) . . ? 
Se4 W Se3 112.81(7) . . ? 
Se2 W Se3 108.29(8) . . ? 
Se4 W Se1 107.42(8) . . ? 
Se2 W Se1 113.06(7) . . ? 
Se3 W Se1 107.92(7) . . ? 
Se4 W Au1 120.96(5) . . ? 
Se2 W Au1 56.46(5) . . ? 
Se3 W Au1 126.22(5) . . ? 
Se1 W Au1 56.64(5) . . ? 
Se4 W Au2 56.29(5) . . ? 
Se2 W Au2 121.96(6) . . ? 
Se3 W Au2 56.55(5) . . ? 
Se1 W Au2 124.98(5) . . ? 
Au1 W Au2 176.81(3) . . ? 
P1 Au1 Se2 132.40(12) . . ? 
P1 Au1 Se1 124.46(12) . . ? 
Se2 Au1 Se1 102.98(6) . . ? 
P1 Au1 W 175.71(11) . . ? 
Se2 Au1 W 51.45(5) . . ? 
Se1 Au1 W 51.57(5) . . ? 
P2 Au2 Se4 134.18(12) . . ? 
P2 Au2 Se3 123.52(11) . . ? 
Se4 Au2 Se3 102.03(6) . . ? 
P2 Au2 W 172.11(10) . . ? 
Se4 Au2 W 51.04(5) . . ? 
Se3 Au2 W 51.02(4) . . ? 
W Se1 Au1 71.79(5) . . ? 
W Se2 Au1 72.09(6) . . ? 
W Se3 Au2 72.42(6) . . ? 
W Se4 Au2 72.67(6) . . ? 
C31 P1 C21 106.1(7) . . ? 
C31 P1 C11 108.4(8) . . ? 
C21 P1 C11 104.2(7) . . ? 
C31 P1 Au1 114.1(6) . . ? 
C21 P1 Au1 108.8(5) . . ? 
C11 P1 Au1 114.5(6) . . ? 
C41 P2 C61 108.2(7) . . ? 
C41 P2 C51 103.0(7) . . ? 
C61 P2 C51 104.0(8) . . ? 
C41 P2 Au2 116.5(5) . . ? 
C61 P2 Au2 109.2(6) . . ? 
C51 P2 Au2 115.0(5) . . ? 
C12 C11 C16 120.2(16) . . ? 
C12 C11 P1 119.9(13) . . ? 
C16 C11 P1 119.9(14) . . ? 
C11 C12 C13 119.5(18) . . ? 
C14 C13 C12 121.0(20) . . ? 
C13 C14 C15 118.3(19) . . ? 
C16 C15 C14 123.0(19) . . ? 
C15 C16 C11 118.0(18) . . ? 
C26 C21 C22 119.0(15) . . ? 
C26 C21 P1 124.1(14) . . ? 
C22 C21 P1 116.8(12) . . ? 
C23 C22 C21 119.5(17) . . ? 
C24 C23 C22 120.6(18) . . ? 
C25 C24 C23 123.1(18) . . ? 
C24 C25 C26 118.5(18) . . ? 
C21 C26 C25 119.1(16) . . ? 
C32 C31 C36 116.3(16) . . ? 
C32 C31 P1 120.3(13) . . ? 
C36 C31 P1 123.4(13) . . ? 
C31 C32 C33 122.9(17) . . ? 
C34 C33 C32 119.9(20) . . ? 
C33 C34 C35 116.6(19) . . ? 
C36 C35 C34 123.3(20) . . ? 
C35 C36 C31 121.0(19) . . ? 
C42 C41 C46 116.4(17) . . ? 
C42 C41 P2 126.6(14) . . ? 
C46 C41 P2 117.0(12) . . ? 
C43 C42 C41 123.0(19) . . ? 
C42 C43 C44 120.9(18) . . ? 
C43 C44 C45 116.5(18) . . ? 
C46 C45 C44 121.3(18) . . ? 
C45 C46 C41 121.6(17) . . ? 
C52 C51 C56 119.6(16) . . ? 
C52 C51 P2 121.9(12) . . ? 
C56 C51 P2 118.3(13) . . ? 
C51 C52 C53 122.2(17) . . ? 
C52 C53 C54 120.8(19) . . ? 
C53 C54 C55 118.3(19) . . ? 
C54 C55 C56 120.6(20) . . ? 
C51 C56 C55 118.4(18) . . ? 
C62 C61 C66 118.7(18) . . ? 
C62 C61 P2 123.8(13) . . ? 
C66 C61 P2 117.4(14) . . ? 
C63 C62 C61 120.1(21) . . ? 
C62 C63 C64 122.1(21) . . ? 
C65 C64 C63 118.1(19) . . ? 
C64 C65 C66 122.7(21) . . ? 
C65 C66 C61 118.1(21) . . ? 
  
_refine_diff_density_max    2.766 
_refine_diff_density_min   -2.708 
_refine_diff_density_rms    0.600 
  
  
                      
data_(WSe4){Ag(PPh3)2}{Ag(PPh3})0.5CH2Cl2 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C54.50 H45 Ag2 Cl P3 Se4 W' 
_chemical_formula_weight          1543.69 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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' 
 'Ag'  'Ag'  -0.8971   1.1015 
 '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' 
 'Se'  'Se'  -0.0929   2.2259 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'W'  'W'  -0.8490   6.8722 
 '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            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 'x+1/2, -y+1/2, z' 
 '-x, -y, -z' 
 '-x-1/2, y-1/2, -z' 
 
_cell_length_a                    17.921(7) 
_cell_length_b                    17.472(3) 
_cell_length_c                    18.196(7) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  95.86(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      5667.7(33) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.809 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              2952 
_exptl_absorpt_coefficient_mu     5.443 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71069 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        ? 
_diffrn_measurement_method        ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             10305 
_diffrn_reflns_av_R_equivalents   0.0563 
_diffrn_reflns_av_sigmaI/netI     0.1506 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        21 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -21 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          1.62 
_diffrn_reflns_theta_max          24.98 
_reflns_number_total              9957 
_reflns_number_observed           4060 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 7 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0673P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          9950 
_refine_ls_number_parameters      597 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0921 
_refine_ls_R_factor_obs           0.0507 
_refine_ls_wR_factor_all          0.1614 
_refine_ls_wR_factor_obs          0.1120 
_refine_ls_goodness_of_fit_all    0.998 
_refine_ls_goodness_of_fit_obs    1.152 
_refine_ls_restrained_S_all       1.019 
_refine_ls_restrained_S_obs       1.152 
_refine_ls_shift/esd_max          0.000 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
W1 W 0.18955(4) 0.41688(3) 0.22693(4) 0.0401(2) Uani 1 d . . 
Ag1 Ag 0.18836(7) 0.24097(5) 0.21618(7) 0.0448(3) Uani 1 d . . 
Ag2 Ag 0.18786(7) 0.58278(6) 0.24195(7) 0.0582(4) Uani 1 d . . 
Se1 Se 0.26945(9) 0.34773(8) 0.15888(9) 0.0480(4) Uani 1 d . . 
Se2 Se 0.11665(9) 0.49761(8) 0.14549(10) 0.0583(5) Uani 1 d . . 
Se3 Se 0.26498(10) 0.48295(8) 0.31819(10) 0.0591(5) Uani 1 d . . 
Se4 Se 0.10764(10) 0.33992(8) 0.28467(11) 0.0653(5) Uani 1 d . . 
P1 P 0.2748(2) 0.1663(2) 0.3024(2) 0.0440(10) Uani 1 d . . 
P2 P 0.0967(2) 0.1750(2) 0.1275(2) 0.0395(9) Uani 1 d . . 
P3 P 0.1830(2) 0.7182(2) 0.2569(2) 0.0473(10) Uani 1 d . . 
C1 C 0.3201(10) 0.0214(9) 0.2639(9) 0.070(5) Uani 1 d . . 
H1 H 0.2890(10) 0.0023(9) 0.2975(9) 0.084 Uiso 1 calc R . 
C2 C 0.3596(11) -0.0291(9) 0.2214(12) 0.085(7) Uani 1 d . . 
H2 H 0.3503(11) -0.0814(9) 0.2237(12) 0.102 Uiso 1 calc R . 
C3 C 0.4112(11) -0.0031(11) 0.1770(12) 0.095(7) Uani 1 d . . 
H3 H 0.4395(11) -0.0368(11) 0.1516(12) 0.114 Uiso 1 calc R . 
C4 C 0.4194(9) 0.0740(12) 0.1713(9) 0.077(6) Uani 1 d . . 
H4 H 0.4536(9) 0.0931(12) 0.1407(9) 0.093 Uiso 1 calc R . 
C5 C 0.3785(9) 0.1253(9) 0.2097(8) 0.053(4) Uani 1 d . . 
H5 H 0.3852(9) 0.1777(9) 0.2045(8) 0.063 Uiso 1 calc R . 
C6 C 0.3280(8) 0.0981(7) 0.2555(8) 0.044(4) Uani 1 d . . 
C7 C 0.1525(10) 0.1021(9) 0.3604(10) 0.073(5) Uani 1 d . . 
H7 H 0.1246(10) 0.1237(9) 0.3197(10) 0.088 Uiso 1 calc R . 
C8 C 0.1164(10) 0.0599(9) 0.4137(10) 0.071(5) Uani 1 d . . 
H8 H 0.0647(10) 0.0528(9) 0.4092(10) 0.085 Uiso 1 calc R . 
C9 C 0.1620(15) 0.0303(10) 0.4723(11) 0.089(7) Uani 1 d . . 
H9 H 0.1390(15) 0.0033(10) 0.5078(11) 0.107 Uiso 1 calc R . 
C10 C 0.2338(11) 0.0369(10) 0.4820(11) 0.074(6) Uani 1 d . . 
H10 H 0.2613(11) 0.0133(10) 0.5219(11) 0.089 Uiso 1 calc R . 
C11 C 0.2692(9) 0.0796(8) 0.4323(9) 0.056(4) Uani 1 d . . 
H11 H 0.3206(9) 0.0881(8) 0.4406(9) 0.067 Uiso 1 calc R . 
C12 C 0.2290(9) 0.1102(8) 0.3700(8) 0.045(4) Uani 1 d . . 
C13 C 0.3158(10) 0.2808(9) 0.3999(9) 0.064(5) Uani 1 d . . 
H13 H 0.2649(10) 0.2925(9) 0.3937(9) 0.077 Uiso 1 calc R . 
C14 C 0.3644(15) 0.3234(11) 0.4487(11) 0.094(7) Uani 1 d . . 
H14 H 0.3448(15) 0.3618(11) 0.4765(11) 0.112 Uiso 1 calc R . 
C15 C 0.4371(15) 0.3107(11) 0.4565(12) 0.098(8) Uani 1 d . . 
H15 H 0.4681(15) 0.3400(11) 0.4895(12) 0.118 Uiso 1 calc R . 
C16 C 0.4661(11) 0.2564(12) 0.4176(13) 0.107(8) Uani 1 d . . 
H16 H 0.5178(11) 0.2490(12) 0.4224(13) 0.128 Uiso 1 calc R . 
C17 C 0.4207(10) 0.2103(9) 0.3695(10) 0.071(5) Uani 1 d . . 
H17 H 0.4419(10) 0.1719(9) 0.3430(10) 0.085 Uiso 1 calc R . 
C18 C 0.3432(9) 0.2216(8) 0.3610(8) 0.048(4) Uani 1 d . . 
C19 C -0.0443(9) 0.2184(9) 0.0570(10) 0.066(5) Uani 1 d . . 
H19 H -0.0633(9) 0.1733(9) 0.0750(10) 0.079 Uiso 1 calc R . 
C20 C -0.0921(10) 0.2648(10) 0.0134(10) 0.078(6) Uani 1 d . . 
H20 H -0.1423(10) 0.2516(10) 0.0031(10) 0.093 Uiso 1 calc R . 
C21 C -0.0653(10) 0.3305(10) -0.0146(9) 0.067(5) Uani 1 d . . 
H21 H -0.0968(10) 0.3622(10) -0.0448(9) 0.080 Uiso 1 calc R . 
C22 C 0.0076(11) 0.3488(8) 0.0020(9) 0.065(5) Uani 1 d . . 
H22 H 0.0264(11) 0.3927(8) -0.0183(9) 0.078 Uiso 1 calc R . 
C23 C 0.0554(8) 0.3032(8) 0.0491(7) 0.047(4) Uani 1 d . . 
H23 H 0.1046(8) 0.3185(8) 0.0630(7) 0.056 Uiso 1 calc R . 
C24 C 0.0287(9) 0.2346(7) 0.0751(9) 0.047(4) Uani 1 d . . 
C25 C 0.0523(9) 0.0310(8) 0.1742(10) 0.067(5) Uani 1 d . . 
H25 H 0.0855(9) 0.0102(8) 0.1435(10) 0.080 Uiso 1 calc R . 
C26 C 0.0144(11) -0.0179(9) 0.2193(12) 0.088(7) Uani 1 d . . 
H26 H 0.0250(11) -0.0700(9) 0.2209(12) 0.105 Uiso 1 calc R . 
C27 C -0.0370(10) 0.0110(9) 0.2600(10) 0.073(5) Uani 1 d . . 
H27 H -0.0635(10) -0.0214(9) 0.2884(10) 0.087 Uiso 1 calc R . 
C28 C -0.0504(9) 0.0871(9) 0.2598(9) 0.063(5) Uani 1 d . . 
H28 H -0.0865(9) 0.1066(9) 0.2880(9) 0.076 Uiso 1 calc R . 
C29 C -0.0117(9) 0.1357(8) 0.2190(9) 0.059(5) Uani 1 d . . 
H29 H -0.0208(9) 0.1881(8) 0.2207(9) 0.071 Uiso 1 calc R . 
C30 C 0.0413(7) 0.1078(7) 0.1746(8) 0.041(4) Uani 1 d . . 
C31 C 0.0916(11) 0.0853(10) -0.0021(11) 0.084(6) Uani 1 d . . 
H31 H 0.0401(11) 0.0935(10) -0.0069(11) 0.101 Uiso 1 calc R . 
C32 C 0.1246(14) 0.0420(12) -0.0515(12) 0.102(7) Uani 1 d . . 
H32 H 0.0948(14) 0.0167(12) -0.0887(12) 0.122 Uiso 1 calc R . 
C33 C 0.2022(16) 0.0348(10) -0.0475(13) 0.093(8) Uani 1 d . . 
H33 H 0.2240(16) 0.0078(10) -0.0838(13) 0.111 Uiso 1 calc R . 
C34 C 0.2450(12) 0.0663(9) 0.0080(12) 0.084(6) Uani 1 d . . 
H34 H 0.2969(12) 0.0609(9) 0.0109(12) 0.101 Uiso 1 calc R . 
C35 C 0.2123(9) 0.1076(7) 0.0625(9) 0.051(4) Uani 1 d . . 
H35 H 0.2421(9) 0.1282(7) 0.1025(9) 0.061 Uiso 1 calc R . 
C36 C 0.1382(9) 0.1172(7) 0.0565(9) 0.047(4) Uani 1 d . . 
C37 C 0.0669(10) 0.7842(10) 0.3284(11) 0.081(6) Uani 1 d . . 
H37 H 0.1034(10) 0.7960(10) 0.3668(11) 0.097 Uiso 1 calc R . 
C38 C -0.0081(13) 0.8012(13) 0.3356(13) 0.107(8) Uani 1 d . . 
H38 H -0.0220(13) 0.8221(13) 0.3792(13) 0.128 Uiso 1 calc R . 
C39 C -0.0573(13) 0.7877(12) 0.2815(15) 0.099(8) Uani 1 d . . 
H39 H -0.1068(13) 0.8007(12) 0.2866(15) 0.119 Uiso 1 calc R . 
C40 C -0.0418(11) 0.7553(11) 0.2161(16) 0.117(9) Uani 1 d . . 
H40 H -0.0792(11) 0.7453(11) 0.1780(16) 0.140 Uiso 1 calc R . 
C41 C 0.0339(10) 0.7381(10) 0.2101(12) 0.088(7) Uani 1 d . . 
H41 H 0.0478(10) 0.7174(10) 0.1664(12) 0.106 Uiso 1 calc R . 
C42 C 0.0869(10) 0.7513(8) 0.2675(10) 0.059(5) Uani 1 d . . 
C43 C 0.2579(11) 0.8309(10) 0.3437(11) 0.089(7) Uani 1 d . . 
H43 H 0.2412(11) 0.8651(10) 0.3065(11) 0.106 Uiso 1 calc R . 
C44 C 0.3000(13) 0.8579(11) 0.4036(13) 0.113(8) Uani 1 d . . 
H44 H 0.3108(13) 0.9098(11) 0.4077(13) 0.135 Uiso 1 calc R . 
C45 C 0.3273(11) 0.8075(10) 0.4596(11) 0.084(6) Uani 1 d . . 
H45 H 0.3578(11) 0.8251(10) 0.5006(11) 0.100 Uiso 1 calc R . 
C46 C 0.3084(10) 0.7322(9) 0.4530(11) 0.075(6) Uani 1 d . . 
H46 H 0.3245(10) 0.6979(9) 0.4903(11) 0.090 Uiso 1 calc R . 
C47 C 0.2667(10) 0.7079(9) 0.3930(10) 0.068(5) Uani 1 d . . 
H47 H 0.2556(10) 0.6559(9) 0.3893(10) 0.082 Uiso 1 calc R . 
C48 C 0.2387(9) 0.7553(7) 0.3353(8) 0.050(4) Uani 1 d . . 
C49 C 0.1861(9) 0.8441(8) 0.1593(10) 0.069(5) Uani 1 d . . 
H49 H 0.1503(9) 0.8671(8) 0.1857(10) 0.083 Uiso 1 calc R . 
C50 C 0.2110(11) 0.8815(10) 0.1015(11) 0.084(6) Uani 1 d . . 
H50 H 0.1924(11) 0.9300(10) 0.0891(11) 0.101 Uiso 1 calc R . 
C51 C 0.2627(10) 0.8497(9) 0.0611(10) 0.072(5) Uani 1 d . . 
H51 H 0.2812(10) 0.8771(9) 0.0231(10) 0.087 Uiso 1 calc R . 
C52 C 0.2874(9) 0.7757(10) 0.0772(9) 0.069(5) Uani 1 d . . 
H52 H 0.3205(9) 0.7517(10) 0.0484(9) 0.083 Uiso 1 calc R . 
C53 C 0.2621(9) 0.7381(9) 0.1368(8) 0.057(4) Uani 1 d . . 
H53 H 0.2788(9) 0.6886(9) 0.1479(8) 0.069 Uiso 1 calc R . 
C54 C 0.2132(8) 0.7717(8) 0.1798(8) 0.047(4) Uani 1 d . . 
C01 C 0.4732(26) 1.0225(25) 0.6389(25) 0.104(14) Uiso 0.50 d P . 
Cl01 Cl 0.5117(19) 0.9836(16) 0.5999(18) 0.146(10) Uiso 0.25 d P . 
Cl02 Cl 0.4362(14) 0.9644(12) 0.5519(13) 0.103(7) Uiso 0.25 d P . 
Cl03 Cl 0.4684(16) 1.0957(15) 0.6277(16) 0.121(9) Uiso 0.25 d P . 
Cl04 Cl 0.4254(13) 1.1063(10) 0.5854(12) 0.085(6) Uiso 0.25 d P . 
 
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 
W1 0.0411(4) 0.0329(3) 0.0479(4) 0.0011(3) 0.0125(3) 0.0010(3) 
Ag1 0.0451(7) 0.0405(6) 0.0487(8) 0.0038(5) 0.0039(6) 0.0006(5) 
Ag2 0.0610(8) 0.0354(6) 0.0794(11) -0.0033(6) 0.0124(8) -0.0009(6) 
Se1 0.0500(10) 0.0448(8) 0.0526(11) 0.0006(7) 0.0212(9) -0.0014(7) 
Se2 0.0512(10) 0.0479(8) 0.0732(13) 0.0083(9) -0.0062(9) 0.0002(8) 
Se3 0.0649(12) 0.0553(10) 0.0553(12) -0.0114(8) -0.0023(10) 0.0090(8) 
Se4 0.0677(13) 0.0472(9) 0.0891(15) 0.0060(9) 0.0472(11) 0.0013(8) 
P1 0.046(2) 0.040(2) 0.046(3) 0.010(2) 0.002(2) 0.000(2) 
P2 0.036(2) 0.042(2) 0.041(2) -0.002(2) 0.005(2) -0.002(2) 
P3 0.046(3) 0.039(2) 0.056(3) 0.000(2) 0.004(2) 0.001(2) 
C1 0.086(14) 0.065(11) 0.063(13) -0.005(9) 0.030(11) 0.003(9) 
C2 0.088(15) 0.055(10) 0.119(19) -0.022(11) 0.037(14) -0.024(10) 
C3 0.076(14) 0.076(13) 0.133(20) -0.059(13) 0.013(14) -0.021(12) 
C4 0.050(12) 0.133(17) 0.049(12) -0.022(12) 0.009(10) -0.014(12) 
C5 0.047(10) 0.068(10) 0.044(11) 0.006(8) 0.008(9) 0.007(8) 
C6 0.037(9) 0.041(8) 0.054(11) 0.000(7) -0.001(8) 0.000(6) 
C7 0.056(13) 0.082(12) 0.077(14) 0.031(10) -0.011(11) -0.006(9) 
C8 0.051(12) 0.090(13) 0.075(15) 0.018(10) 0.023(11) -0.011(9) 
C9 0.136(22) 0.073(12) 0.064(15) 0.017(10) 0.032(16) -0.004(13) 
C10 0.053(12) 0.095(13) 0.078(15) 0.029(11) 0.021(12) 0.015(10) 
C11 0.054(10) 0.063(9) 0.054(11) 0.002(9) 0.017(9) 0.000(8) 
C12 0.051(11) 0.056(9) 0.027(9) 0.000(7) -0.002(8) 0.004(7) 
C13 0.071(13) 0.068(11) 0.047(11) 0.005(9) -0.023(10) 0.000(9) 
C14 0.142(22) 0.077(13) 0.062(15) -0.012(11) 0.012(16) -0.008(15) 
C15 0.120(21) 0.080(15) 0.088(18) -0.037(12) -0.024(17) -0.014(14) 
C16 0.050(14) 0.121(18) 0.141(23) -0.041(16) -0.030(14) -0.013(12) 
C17 0.058(13) 0.079(11) 0.073(14) -0.033(10) -0.005(11) 0.017(9) 
C18 0.048(10) 0.052(9) 0.045(10) 0.010(7) 0.015(8) 0.009(7) 
C19 0.044(11) 0.075(11) 0.077(14) 0.023(10) -0.003(10) 0.005(9) 
C20 0.053(12) 0.098(14) 0.075(14) 0.005(11) -0.030(11) -0.001(11) 
C21 0.058(12) 0.078(12) 0.060(13) 0.010(10) -0.014(10) 0.024(10) 
C22 0.097(16) 0.057(9) 0.039(10) 0.005(8) -0.003(10) 0.004(10) 
C23 0.040(10) 0.074(10) 0.027(9) -0.006(7) 0.003(8) 0.005(7) 
C24 0.047(10) 0.036(8) 0.058(11) -0.002(7) -0.002(9) 0.008(7) 
C25 0.070(13) 0.055(9) 0.081(14) 0.006(9) 0.032(11) 0.005(8) 
C26 0.102(16) 0.041(10) 0.128(19) 0.020(10) 0.048(15) -0.005(9) 
C27 0.065(12) 0.074(12) 0.086(15) 0.024(10) 0.041(11) -0.017(10) 
C28 0.060(11) 0.060(10) 0.073(13) 0.012(9) 0.024(10) -0.004(9) 
C29 0.072(13) 0.039(8) 0.068(12) 0.002(8) 0.014(10) 0.011(8) 
C30 0.029(8) 0.039(7) 0.059(11) 0.000(7) 0.024(8) -0.003(6) 
C31 0.074(14) 0.091(13) 0.088(16) -0.035(12) 0.012(13) -0.008(11) 
C32 0.101(19) 0.115(17) 0.084(18) -0.039(13) -0.016(16) -0.022(15) 
C33 0.139(23) 0.067(12) 0.084(18) -0.012(11) 0.068(17) -0.025(14) 
C34 0.089(16) 0.060(12) 0.109(19) -0.008(11) 0.041(15) 0.001(10) 
C35 0.038(10) 0.049(8) 0.066(12) -0.012(8) 0.015(9) -0.002(7) 
C36 0.062(11) 0.024(6) 0.061(11) 0.003(7) 0.029(10) 0.002(7) 
C37 0.058(13) 0.112(15) 0.075(15) -0.001(12) 0.017(12) 0.029(11) 
C38 0.072(17) 0.166(22) 0.081(18) -0.029(15) -0.002(14) 0.029(15) 
C39 0.076(18) 0.114(17) 0.118(23) -0.001(16) 0.060(17) -0.006(13) 
C40 0.034(14) 0.121(18) 0.187(29) -0.031(18) -0.022(16) 0.002(12) 
C41 0.045(12) 0.126(16) 0.092(16) -0.044(13) -0.005(12) 0.017(11) 
C42 0.066(12) 0.054(9) 0.061(12) 0.007(8) 0.026(11) -0.003(8) 
C43 0.113(17) 0.065(11) 0.079(15) -0.001(11) -0.036(13) -0.016(11) 
C44 0.145(23) 0.055(11) 0.130(22) 0.013(13) -0.021(19) -0.025(13) 
C45 0.096(16) 0.085(14) 0.067(14) -0.023(11) -0.005(12) -0.015(11) 
C46 0.082(15) 0.058(11) 0.085(16) 0.012(10) 0.007(13) -0.006(10) 
C47 0.066(13) 0.053(10) 0.083(15) -0.007(10) -0.002(11) -0.013(9) 
C48 0.069(12) 0.032(7) 0.048(10) 0.006(7) 0.003(9) 0.008(7) 
C49 0.078(13) 0.063(11) 0.074(13) 0.017(9) 0.042(11) 0.016(9) 
C50 0.108(17) 0.070(11) 0.081(15) 0.016(11) 0.040(14) 0.040(11) 
C51 0.079(14) 0.067(11) 0.069(14) 0.006(10) 0.005(11) -0.015(10) 
C52 0.045(11) 0.109(14) 0.059(12) -0.010(11) 0.032(10) -0.021(10) 
C53 0.065(12) 0.066(10) 0.039(10) -0.003(8) 0.001(9) -0.001(9) 
C54 0.039(9) 0.050(8) 0.052(11) -0.020(7) -0.001(8) -0.008(7) 
 
_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 
W1 Se4 2.320(2) . ? 
W1 Se1 2.325(2) . ? 
W1 Se3 2.337(2) . ? 
W1 Se2 2.345(2) . ? 
W1 Ag2 2.9120(12) . ? 
W1 Ag1 3.0797(12) . ? 
Ag1 P1 2.462(4) . ? 
Ag1 P2 2.468(4) . ? 
Ag1 Se1 2.644(2) . ? 
Ag1 Se4 2.646(2) . ? 
Ag2 P3 2.385(4) . ? 
Ag2 Se2 2.543(2) . ? 
Ag2 Se3 2.547(2) . ? 
P1 C6 1.795(14) . ? 
P1 C18 1.82(2) . ? 
P1 C12 1.831(15) . ? 
P2 C24 1.802(14) . ? 
P2 C30 1.808(12) . ? 
P2 C36 1.854(14) . ? 
P3 C48 1.78(2) . ? 
P3 C54 1.81(2) . ? 
P3 C42 1.84(2) . ? 
C1 C6 1.36(2) . ? 
C1 C2 1.41(2) . ? 
C2 C3 1.37(2) . ? 
C3 C4 1.36(2) . ? 
C4 C5 1.39(2) . ? 
C5 C6 1.38(2) . ? 
C7 C12 1.37(2) . ? 
C7 C8 1.42(2) . ? 
C8 C9 1.38(2) . ? 
C9 C10 1.29(2) . ? 
C10 C11 1.38(2) . ? 
C11 C12 1.39(2) . ? 
C13 C18 1.37(2) . ? 
C13 C14 1.39(2) . ? 
C14 C15 1.31(3) . ? 
C15 C16 1.32(3) . ? 
C16 C17 1.39(2) . ? 
C17 C18 1.40(2) . ? 
C19 C24 1.35(2) . ? 
C19 C20 1.37(2) . ? 
C20 C21 1.36(2) . ? 
C21 C22 1.35(2) . ? 
C22 C23 1.40(2) . ? 
C23 C24 1.39(2) . ? 
C25 C30 1.36(2) . ? 
C25 C26 1.41(2) . ? 
C26 C27 1.34(2) . ? 
C27 C28 1.35(2) . ? 
C28 C29 1.36(2) . ? 
C29 C30 1.40(2) . ? 
C31 C32 1.36(2) . ? 
C31 C36 1.40(2) . ? 
C32 C33 1.39(3) . ? 
C33 C34 1.32(3) . ? 
C34 C35 1.40(2) . ? 
C35 C36 1.33(2) . ? 
C37 C42 1.33(2) . ? 
C37 C38 1.40(2) . ? 
C38 C39 1.27(3) . ? 
C39 C40 1.37(3) . ? 
C40 C41 1.40(2) . ? 
C41 C42 1.36(2) . ? 
C43 C44 1.34(2) . ? 
C43 C48 1.37(2) . ? 
C44 C45 1.40(2) . ? 
C45 C46 1.36(2) . ? 
C46 C47 1.33(2) . ? 
C47 C48 1.39(2) . ? 
C49 C50 1.35(2) . ? 
C49 C54 1.39(2) . ? 
C50 C51 1.36(2) . ? 
C51 C52 1.39(2) . ? 
C52 C53 1.38(2) . ? 
C53 C54 1.37(2) . ? 
C01 Cl01 1.24(4) . ? 
C01 Cl03 1.30(4) . ? 
C01 Cl04 1.91(5) . ? 
C01 Cl02 1.94(5) . ? 
Cl01 Cl02 1.57(4) . ? 
Cl01 Cl03 2.19(4) . ? 
Cl03 Cl04 1.05(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 
Se4 W1 Se1 113.12(5) . . ? 
Se4 W1 Se3 108.15(8) . . ? 
Se1 W1 Se3 106.99(7) . . ? 
Se4 W1 Se2 107.30(7) . . ? 
Se1 W1 Se2 108.05(7) . . ? 
Se3 W1 Se2 113.36(6) . . ? 
Se4 W1 Ag2 121.42(5) . . ? 
Se1 W1 Ag2 125.46(5) . . ? 
Se3 W1 Ag2 56.79(5) . . ? 
Se2 W1 Ag2 56.63(5) . . ? 
Se4 W1 Ag1 56.61(5) . . ? 
Se1 W1 Ag1 56.51(4) . . ? 
Se3 W1 Ag1 122.55(5) . . ? 
Se2 W1 Ag1 124.09(6) . . ? 
Ag2 W1 Ag1 177.90(4) . . ? 
P1 Ag1 P2 120.15(13) . . ? 
P1 Ag1 Se1 106.83(11) . . ? 
P2 Ag1 Se1 115.32(11) . . ? 
P1 Ag1 Se4 112.63(12) . . ? 
P2 Ag1 Se4 104.71(11) . . ? 
Se1 Ag1 Se4 94.23(5) . . ? 
P1 Ag1 W1 119.23(10) . . ? 
P2 Ag1 W1 120.51(9) . . ? 
Se1 Ag1 W1 47.18(4) . . ? 
Se4 Ag1 W1 47.05(4) . . ? 
P3 Ag2 Se2 129.64(12) . . ? 
P3 Ag2 Se3 129.91(12) . . ? 
Se2 Ag2 Se3 100.45(6) . . ? 
P3 Ag2 W1 178.01(12) . . ? 
Se2 Ag2 W1 50.36(4) . . ? 
Se3 Ag2 W1 50.14(4) . . ? 
W1 Se1 Ag1 76.31(5) . . ? 
W1 Se2 Ag2 73.01(6) . . ? 
W1 Se3 Ag2 73.07(6) . . ? 
W1 Se4 Ag1 76.34(6) . . ? 
C6 P1 C18 105.8(7) . . ? 
C6 P1 C12 105.1(6) . . ? 
C18 P1 C12 102.2(7) . . ? 
C6 P1 Ag1 112.3(5) . . ? 
C18 P1 Ag1 115.8(5) . . ? 
C12 P1 Ag1 114.6(5) . . ? 
C24 P2 C30 104.6(7) . . ? 
C24 P2 C36 104.2(7) . . ? 
C30 P2 C36 104.8(6) . . ? 
C24 P2 Ag1 116.4(5) . . ? 
C30 P2 Ag1 110.7(5) . . ? 
C36 P2 Ag1 115.0(6) . . ? 
C48 P3 C54 104.2(7) . . ? 
C48 P3 C42 104.8(8) . . ? 
C54 P3 C42 106.0(7) . . ? 
C48 P3 Ag2 115.4(5) . . ? 
C54 P3 Ag2 114.0(5) . . ? 
C42 P3 Ag2 111.6(5) . . ? 
C6 C1 C2 119.4(15) . . ? 
C3 C2 C1 121.6(16) . . ? 
C4 C3 C2 117.3(18) . . ? 
C3 C4 C5 122.2(17) . . ? 
C6 C5 C4 119.6(15) . . ? 
C1 C6 C5 119.5(14) . . ? 
C1 C6 P1 122.3(12) . . ? 
C5 C6 P1 118.2(11) . . ? 
C12 C7 C8 118.9(16) . . ? 
C9 C8 C7 116.5(17) . . ? 
C10 C9 C8 125.5(20) . . ? 
C9 C10 C11 118.6(19) . . ? 
C10 C11 C12 120.7(16) . . ? 
C7 C12 C11 119.5(15) . . ? 
C7 C12 P1 118.7(12) . . ? 
C11 C12 P1 121.6(13) . . ? 
C18 C13 C14 119.9(18) . . ? 
C15 C14 C13 121.7(21) . . ? 
C14 C15 C16 120.2(21) . . ? 
C15 C16 C17 121.0(20) . . ? 
C16 C17 C18 120.0(16) . . ? 
C13 C18 C17 117.0(15) . . ? 
C13 C18 P1 116.6(12) . . ? 
C17 C18 P1 126.4(12) . . ? 
C24 C19 C20 123.3(16) . . ? 
C21 C20 C19 119.4(17) . . ? 
C22 C21 C20 119.1(16) . . ? 
C21 C22 C23 121.4(16) . . ? 
C24 C23 C22 119.2(15) . . ? 
C19 C24 C23 117.3(14) . . ? 
C19 C24 P2 126.6(12) . . ? 
C23 C24 P2 116.1(12) . . ? 
C30 C25 C26 121.2(15) . . ? 
C27 C26 C25 119.6(15) . . ? 
C26 C27 C28 120.2(15) . . ? 
C27 C28 C29 120.9(15) . . ? 
C28 C29 C30 120.8(13) . . ? 
C25 C30 C29 117.1(13) . . ? 
C25 C30 P2 123.5(11) . . ? 
C29 C30 P2 119.1(10) . . ? 
C32 C31 C36 117.4(19) . . ? 
C31 C32 C33 121.1(20) . . ? 
C34 C33 C32 120.1(20) . . ? 
C33 C34 C35 120.0(20) . . ? 
C36 C35 C34 119.5(17) . . ? 
C35 C36 C31 121.6(15) . . ? 
C35 C36 P2 118.6(13) . . ? 
C31 C36 P2 119.8(13) . . ? 
C42 C37 C38 121.0(20) . . ? 
C39 C38 C37 119.0(23) . . ? 
C38 C39 C40 124.2(23) . . ? 
C39 C40 C41 116.0(21) . . ? 
C42 C41 C40 120.7(20) . . ? 
C37 C42 C41 119.1(17) . . ? 
C37 C42 P3 123.8(15) . . ? 
C41 C42 P3 117.0(13) . . ? 
C44 C43 C48 122.8(18) . . ? 
C43 C44 C45 119.7(18) . . ? 
C46 C45 C44 118.6(18) . . ? 
C47 C46 C45 119.7(18) . . ? 
C46 C47 C48 124.0(15) . . ? 
C43 C48 C47 115.0(15) . . ? 
C43 C48 P3 123.7(12) . . ? 
C47 C48 P3 121.2(11) . . ? 
C50 C49 C54 120.9(15) . . ? 
C49 C50 C51 121.3(16) . . ? 
C50 C51 C52 119.2(16) . . ? 
C53 C52 C51 119.0(16) . . ? 
C54 C53 C52 121.7(15) . . ? 
C53 C54 C49 117.6(15) . . ? 
C53 C54 P3 118.7(11) . . ? 
C49 C54 P3 123.5(12) . . ? 
Cl01 C01 Cl03 118.9(42) . . ? 
Cl01 C01 Cl04 112.1(34) . . ? 
Cl03 C01 Cl04 31.3(18) . . ? 
Cl01 C01 Cl02 53.9(24) . . ? 
Cl03 C01 Cl02 112.2(32) . . ? 
Cl04 C01 Cl02 83.6(20) . . ? 
C01 Cl01 Cl02 86.5(30) . . ? 
C01 Cl01 Cl03 31.3(23) . . ? 
Cl02 Cl01 Cl03 90.9(18) . . ? 
Cl01 Cl02 C01 39.7(16) . . ? 
Cl04 Cl03 C01 108.7(33) . . ? 
Cl04 Cl03 Cl01 103.9(23) . . ? 
C01 Cl03 Cl01 29.8(23) . . ? 
Cl03 Cl04 C01 40.0(20) . . ? 
 
_refine_diff_density_max    1.427 
_refine_diff_density_min   -1.175 
_refine_diff_density_rms    0.170