  
data_cd21391 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C38 H27 Au Cl P' 
_chemical_formula_weight          746.98 
  
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' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Au'  'Au'  -2.0133   8.8022 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1) 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
  
_cell_length_a                    10.1476(9) 
_cell_length_b                    15.7426(14) 
_cell_length_c                    10.5615(9) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  115.257(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      1525.9(2) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     5147 
_cell_measurement_theta_min       4.338 
_cell_measurement_theta_max       52.038 
  
_exptl_crystal_description        prismatic 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.21 
_exptl_crystal_size_mid           0.19 
_exptl_crystal_size_min           0.11 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.626 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              732 
_exptl_absorpt_coefficient_mu     4.986 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.4193 
_exptl_absorpt_correction_T_max   0.6027 
_exptl_absorpt_process_details    sadabs 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'CCD area detector' 
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             9235 
_diffrn_reflns_av_R_equivalents   0.0205 
_diffrn_reflns_av_sigmaI/netI     0.0560 
_diffrn_reflns_limit_h_min        -12 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -18 
_diffrn_reflns_limit_k_max        19 
_diffrn_reflns_limit_l_min        -12 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          2.13 
_diffrn_reflns_theta_max          25.99 
_reflns_number_total              5920 
_reflns_number_gt                 5550 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SHELXTL' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
; calc 
 [0.00000+1.00000exp(2.00(sinθ/λ)²)]/ 
   [σ²(Fo²)+0.0000+0.0000*P+(0.0000P)²+0.0000sinθ/λ] 
 where P = 0.33333Fo² + 0.66667Fc² 
; 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.012(5) 
_chemical_absolute_configuration  ad 
_refine_ls_number_reflns          5920 
_refine_ls_number_parameters      370 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0250 
_refine_ls_R_factor_gt            0.0231 
_refine_ls_wR_factor_ref          0.0550 
_refine_ls_wR_factor_gt           0.0538 
_refine_ls_goodness_of_fit_ref    1.022 
_refine_ls_restrained_S_all       1.022 
_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 0.448942(13) 0.252120(18) 1.037530(13) 0.04042(5) Uani 1 1 d . . . 
Cl1 Cl 0.66783(12) 0.27649(8) 1.03078(14) 0.0602(4) Uani 1 1 d . . . 
P1 P 0.24508(11) 0.22648(7) 1.06151(11) 0.0370(3) Uani 1 1 d . . . 
C1 C 0.0757(4) 0.2086(3) 0.9046(4) 0.0369(9) Uani 1 1 d . . . 
C2 C -0.0396(5) 0.1683(3) 0.9237(5) 0.0486(11) Uani 1 1 d . . . 
H2 H -0.0239 0.1496 1.0126 0.058 Uiso 1 1 calc R . . 
C3 C -0.1716(5) 0.1563(4) 0.8159(6) 0.0538(12) Uani 1 1 d . . . 
H3 H -0.2452 0.1294 0.8311 0.065 Uiso 1 1 calc R . . 
C4 C -0.1978(4) 0.1840(3) 0.6818(5) 0.0439(10) Uani 1 1 d . . . 
C5 C -0.3338(5) 0.1696(3) 0.5642(6) 0.0586(13) Uani 1 1 d . . . 
H5 H -0.4083 0.1419 0.5768 0.070 Uiso 1 1 calc R . . 
C6 C -0.3556(6) 0.1956(4) 0.4354(6) 0.0698(17) Uani 1 1 d . . . 
H6 H -0.4447 0.1851 0.3599 0.084 Uiso 1 1 calc R . . 
C7 C -0.2469(6) 0.2377(4) 0.4135(5) 0.0653(16) Uani 1 1 d . . . 
H7 H -0.2640 0.2548 0.3235 0.078 Uiso 1 1 calc R . . 
C8 C -0.1159(5) 0.2545(5) 0.5216(4) 0.0535(9) Uani 1 1 d . . . 
H8 H -0.0458 0.2848 0.5056 0.064 Uiso 1 1 calc R . . 
C9 C -0.0852(4) 0.2261(2) 0.6597(4) 0.0387(9) Uani 1 1 d . . . 
C10 C 0.0549(4) 0.2367(3) 0.7746(4) 0.0340(10) Uani 1 1 d . . . 
C11 C 0.1699(4) 0.2803(3) 0.7447(4) 0.0375(9) Uani 1 1 d . . . 
C12 C 0.1812(5) 0.3698(3) 0.7572(5) 0.0442(10) Uani 1 1 d . . . 
C13 C 0.0941(6) 0.4186(3) 0.8041(7) 0.0625(14) Uani 1 1 d . . . 
H13 H 0.0247 0.3918 0.8257 0.075 Uiso 1 1 calc R . . 
C14 C 0.1101(9) 0.5042(4) 0.8181(9) 0.093(2) Uani 1 1 d . . . 
H14 H 0.0523 0.5351 0.8502 0.112 Uiso 1 1 calc R . . 
C15 C 0.2127(10) 0.5465(4) 0.7848(11) 0.106(3) Uani 1 1 d . . . 
H15 H 0.2227 0.6051 0.7945 0.127 Uiso 1 1 calc R . . 
C16 C 0.2969(10) 0.5018(5) 0.7387(11) 0.097(3) Uani 1 1 d . . . 
H16 H 0.3643 0.5306 0.7166 0.116 Uiso 1 1 calc R . . 
C17 C 0.2858(7) 0.4127(4) 0.7230(7) 0.0606(14) Uani 1 1 d . . . 
C18 C 0.3707(6) 0.3651(4) 0.6755(7) 0.0671(15) Uani 1 1 d . . . 
H18 H 0.4361 0.3927 0.6491 0.081 Uiso 1 1 calc R . . 
C19 C 0.3607(6) 0.2793(3) 0.6665(5) 0.0587(14) Uani 1 1 d . . . 
H19 H 0.4206 0.2493 0.6359 0.070 Uiso 1 1 calc R . . 
C20 C 0.2605(5) 0.2343(3) 0.7030(4) 0.0427(12) Uani 1 1 d . . . 
C21 C 0.2648(6) 0.1396(3) 0.7010(5) 0.0468(11) Uani 1 1 d . . . 
C22 C 0.3955(8) 0.0991(4) 0.7846(6) 0.0671(15) Uani 1 1 d . . . 
H22 H 0.4776 0.1311 0.8377 0.080 Uiso 1 1 calc R . . 
C23 C 0.4034(12) 0.0116(5) 0.7889(9) 0.095(3) Uani 1 1 d . . . 
H23 H 0.4899 -0.0148 0.8479 0.114 Uiso 1 1 calc R . . 
C24 C 0.2861(12) -0.0366(5) 0.7078(11) 0.094(3) Uani 1 1 d . . . 
H24 H 0.2925 -0.0955 0.7100 0.113 Uiso 1 1 calc R . . 
C25 C 0.1598(9) 0.0027(4) 0.6236(9) 0.081(2) Uani 1 1 d . . . 
H25 H 0.0800 -0.0300 0.5671 0.097 Uiso 1 1 calc R . . 
C26 C 0.1468(6) 0.0900(3) 0.6198(7) 0.0577(14) Uani 1 1 d . . . 
H26 H 0.0585 0.1154 0.5626 0.069 Uiso 1 1 calc R . . 
C27 C 0.2607(5) 0.1292(3) 1.1595(5) 0.0417(10) Uani 1 1 d . . . 
C28 C 0.2681(6) 0.0533(4) 1.0966(6) 0.0589(13) Uani 1 1 d . . . 
H28 H 0.2632 0.0536 1.0066 0.071 Uiso 1 1 calc R . . 
C29 C 0.2826(7) -0.0229(4) 1.1665(7) 0.0718(16) Uani 1 1 d . . . 
H29 H 0.2860 -0.0739 1.1235 0.086 Uiso 1 1 calc R . . 
C30 C 0.2918(6) -0.0224(4) 1.3007(8) 0.0731(17) Uani 1 1 d . . . 
H30 H 0.3009 -0.0733 1.3485 0.088 Uiso 1 1 calc R . . 
C31 C 0.2876(7) 0.0528(5) 1.3635(7) 0.0691(17) Uani 1 1 d . . . 
H31 H 0.2957 0.0527 1.4546 0.083 Uiso 1 1 calc R . . 
C32 C 0.2716(6) 0.1274(4) 1.2948(6) 0.0521(12) Uani 1 1 d . . . 
H32 H 0.2679 0.1779 1.3388 0.062 Uiso 1 1 calc R . . 
C33 C 0.2064(5) 0.3115(3) 1.1573(5) 0.0420(10) Uani 1 1 d . . . 
C34 C 0.0668(6) 0.3296(4) 1.1428(7) 0.0740(18) Uani 1 1 d . . . 
H34 H -0.0122 0.2976 1.0828 0.089 Uiso 1 1 calc R . . 
C35 C 0.0468(8) 0.3953(5) 1.2181(8) 0.087(2) Uani 1 1 d . . . 
H35 H -0.0467 0.4070 1.2088 0.105 Uiso 1 1 calc R . . 
C36 C 0.1596(8) 0.4436(4) 1.3057(8) 0.0784(18) Uani 1 1 d . . . 
H36 H 0.1431 0.4887 1.3541 0.094 Uiso 1 1 calc R . . 
C37 C 0.2970(8) 0.4254(5) 1.3222(8) 0.0750(19) Uani 1 1 d . . . 
H37 H 0.3754 0.4567 1.3848 0.090 Uiso 1 1 calc R . . 
C38 C 0.3201(6) 0.3606(3) 1.2460(7) 0.0563(13) Uani 1 1 d . . . 
H38 H 0.4139 0.3500 1.2548 0.068 Uiso 1 1 calc R . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Au1 P1 2.2257(10) . ? 
Au1 Cl1 2.2849(11) . ? 
P1 C27 1.816(5) . ? 
P1 C33 1.818(5) . ? 
P1 C1 1.830(4) . ? 
C1 C10 1.370(6) . ? 
C1 C2 1.419(6) . ? 
C2 C3 1.351(7) . ? 
C2 H2 0.9300 . ? 
C3 C4 1.395(7) . ? 
C3 H3 0.9300 . ? 
C4 C9 1.424(6) . ? 
C4 C5 1.427(6) . ? 
C5 C6 1.346(9) . ? 
C5 H5 0.9300 . ? 
C6 C7 1.389(9) . ? 
C6 H6 0.9300 . ? 
C7 C8 1.359(6) . ? 
C7 H7 0.9300 . ? 
C8 C9 1.426(6) . ? 
C8 H8 0.9300 . ? 
C9 C10 1.431(5) . ? 
C10 C11 1.501(5) . ? 
C11 C20 1.381(6) . ? 
C11 C12 1.415(6) . ? 
C12 C13 1.411(7) . ? 
C12 C17 1.429(7) . ? 
C13 C14 1.357(8) . ? 
C13 H13 0.9300 . ? 
C14 C15 1.402(12) . ? 
C14 H14 0.9300 . ? 
C15 C16 1.347(12) . ? 
C15 H15 0.9300 . ? 
C16 C17 1.411(9) . ? 
C16 H16 0.9300 . ? 
C17 C18 1.388(9) . ? 
C18 C19 1.354(8) . ? 
C18 H18 0.9300 . ? 
C19 C20 1.420(6) . ? 
C19 H19 0.9300 . ? 
C20 C21 1.492(7) . ? 
C21 C26 1.380(8) . ? 
C21 C22 1.396(8) . ? 
C22 C23 1.379(10) . ? 
C22 H22 0.9300 . ? 
C23 C24 1.362(13) . ? 
C23 H23 0.9300 . ? 
C24 C25 1.358(12) . ? 
C24 H24 0.9300 . ? 
C25 C26 1.379(8) . ? 
C25 H25 0.9300 . ? 
C26 H26 0.9300 . ? 
C27 C28 1.385(7) . ? 
C27 C32 1.386(7) . ? 
C28 C29 1.384(8) . ? 
C28 H28 0.9300 . ? 
C29 C30 1.380(10) . ? 
C29 H29 0.9300 . ? 
C30 C31 1.367(10) . ? 
C30 H30 0.9300 . ? 
C31 C32 1.353(9) . ? 
C31 H31 0.9300 . ? 
C32 H32 0.9300 . ? 
C33 C38 1.373(7) . ? 
C33 C34 1.389(7) . ? 
C34 C35 1.371(8) . ? 
C34 H34 0.9300 . ? 
C35 C36 1.357(10) . ? 
C35 H35 0.9300 . ? 
C36 C37 1.360(10) . ? 
C36 H36 0.9300 . ? 
C37 C38 1.380(9) . ? 
C37 H37 0.9300 . ? 
C38 H38 0.9300 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
P1 Au1 Cl1 175.63(4) . . ? 
C27 P1 C33 106.9(2) . . ? 
C27 P1 C1 101.9(2) . . ? 
C33 P1 C1 105.9(2) . . ? 
C27 P1 Au1 110.97(15) . . ? 
C33 P1 Au1 111.19(15) . . ? 
C1 P1 Au1 118.98(14) . . ? 
C10 C1 C2 120.2(4) . . ? 
C10 C1 P1 122.8(3) . . ? 
C2 C1 P1 116.9(3) . . ? 
C3 C2 C1 121.6(4) . . ? 
C3 C2 H2 119.2 . . ? 
C1 C2 H2 119.2 . . ? 
C2 C3 C4 120.2(4) . . ? 
C2 C3 H3 119.9 . . ? 
C4 C3 H3 119.9 . . ? 
C3 C4 C9 119.6(4) . . ? 
C3 C4 C5 121.9(5) . . ? 
C9 C4 C5 118.5(5) . . ? 
C6 C5 C4 120.8(5) . . ? 
C6 C5 H5 119.6 . . ? 
C4 C5 H5 119.6 . . ? 
C5 C6 C7 121.0(5) . . ? 
C5 C6 H6 119.5 . . ? 
C7 C6 H6 119.5 . . ? 
C8 C7 C6 121.0(5) . . ? 
C8 C7 H7 119.5 . . ? 
C6 C7 H7 119.5 . . ? 
C7 C8 C9 120.5(5) . . ? 
C7 C8 H8 119.8 . . ? 
C9 C8 H8 119.8 . . ? 
C4 C9 C8 118.2(4) . . ? 
C4 C9 C10 119.4(4) . . ? 
C8 C9 C10 122.4(4) . . ? 
C1 C10 C9 119.0(4) . . ? 
C1 C10 C11 123.9(4) . . ? 
C9 C10 C11 117.0(4) . . ? 
C20 C11 C12 120.9(4) . . ? 
C20 C11 C10 120.7(4) . . ? 
C12 C11 C10 118.4(4) . . ? 
C13 C12 C11 122.5(4) . . ? 
C13 C12 C17 118.4(5) . . ? 
C11 C12 C17 119.1(4) . . ? 
C14 C13 C12 121.1(6) . . ? 
C14 C13 H13 119.5 . . ? 
C12 C13 H13 119.5 . . ? 
C13 C14 C15 120.7(7) . . ? 
C13 C14 H14 119.6 . . ? 
C15 C14 H14 119.6 . . ? 
C16 C15 C14 119.7(6) . . ? 
C16 C15 H15 120.1 . . ? 
C14 C15 H15 120.1 . . ? 
C15 C16 C17 122.0(7) . . ? 
C15 C16 H16 119.0 . . ? 
C17 C16 H16 119.0 . . ? 
C18 C17 C16 123.3(6) . . ? 
C18 C17 C12 118.6(5) . . ? 
C16 C17 C12 118.1(6) . . ? 
C19 C18 C17 121.6(5) . . ? 
C19 C18 H18 119.2 . . ? 
C17 C18 H18 119.2 . . ? 
C18 C19 C20 121.3(5) . . ? 
C18 C19 H19 119.4 . . ? 
C20 C19 H19 119.4 . . ? 
C11 C20 C19 118.4(4) . . ? 
C11 C20 C21 123.7(4) . . ? 
C19 C20 C21 117.8(4) . . ? 
C26 C21 C22 118.2(5) . . ? 
C26 C21 C20 123.5(5) . . ? 
C22 C21 C20 118.3(5) . . ? 
C23 C22 C21 120.3(8) . . ? 
C23 C22 H22 119.9 . . ? 
C21 C22 H22 119.9 . . ? 
C24 C23 C22 120.8(8) . . ? 
C24 C23 H23 119.6 . . ? 
C22 C23 H23 119.6 . . ? 
C25 C24 C23 119.0(7) . . ? 
C25 C24 H24 120.5 . . ? 
C23 C24 H24 120.5 . . ? 
C24 C25 C26 121.7(7) . . ? 
C24 C25 H25 119.2 . . ? 
C26 C25 H25 119.2 . . ? 
C25 C26 C21 119.9(6) . . ? 
C25 C26 H26 120.0 . . ? 
C21 C26 H26 120.0 . . ? 
C28 C27 C32 118.7(5) . . ? 
C28 C27 P1 117.6(4) . . ? 
C32 C27 P1 123.6(4) . . ? 
C29 C28 C27 120.5(5) . . ? 
C29 C28 H28 119.7 . . ? 
C27 C28 H28 119.7 . . ? 
C30 C29 C28 119.2(6) . . ? 
C30 C29 H29 120.4 . . ? 
C28 C29 H29 120.4 . . ? 
C31 C30 C29 120.1(6) . . ? 
C31 C30 H30 120.0 . . ? 
C29 C30 H30 120.0 . . ? 
C32 C31 C30 120.9(6) . . ? 
C32 C31 H31 119.6 . . ? 
C30 C31 H31 119.6 . . ? 
C31 C32 C27 120.6(6) . . ? 
C31 C32 H32 119.7 . . ? 
C27 C32 H32 119.7 . . ? 
C38 C33 C34 118.7(5) . . ? 
C38 C33 P1 118.4(4) . . ? 
C34 C33 P1 122.8(4) . . ? 
C35 C34 C33 119.2(6) . . ? 
C35 C34 H34 120.4 . . ? 
C33 C34 H34 120.4 . . ? 
C36 C35 C34 121.9(6) . . ? 
C36 C35 H35 119.1 . . ? 
C34 C35 H35 119.1 . . ? 
C35 C36 C37 119.3(6) . . ? 
C35 C36 H36 120.4 . . ? 
C37 C36 H36 120.4 . . ? 
C36 C37 C38 120.1(6) . . ? 
C36 C37 H37 119.9 . . ? 
C38 C37 H37 119.9 . . ? 
C33 C38 C37 120.7(5) . . ? 
C33 C38 H38 119.6 . . ? 
C37 C38 H38 119.6 . . ? 
  
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 
Cl1 Au1 P1 C27 -48.0(6) . . . . ? 
Cl1 Au1 P1 C33 70.9(6) . . . . ? 
Cl1 Au1 P1 C1 -165.7(6) . . . . ? 
C27 P1 C1 C10 -144.5(4) . . . . ? 
C33 P1 C1 C10 103.9(4) . . . . ? 
Au1 P1 C1 C10 -22.1(4) . . . . ? 
C27 P1 C1 C2 39.4(4) . . . . ? 
C33 P1 C1 C2 -72.3(4) . . . . ? 
Au1 P1 C1 C2 161.7(3) . . . . ? 
C10 C1 C2 C3 0.1(7) . . . . ? 
P1 C1 C2 C3 176.4(4) . . . . ? 
C1 C2 C3 C4 -0.3(8) . . . . ? 
C2 C3 C4 C9 -0.9(7) . . . . ? 
C2 C3 C4 C5 177.5(5) . . . . ? 
C3 C4 C5 C6 -178.7(5) . . . . ? 
C9 C4 C5 C6 -0.4(7) . . . . ? 
C4 C5 C6 C7 -0.6(9) . . . . ? 
C5 C6 C7 C8 -0.5(10) . . . . ? 
C6 C7 C8 C9 2.5(11) . . . . ? 
C3 C4 C9 C8 -179.3(5) . . . . ? 
C5 C4 C9 C8 2.3(6) . . . . ? 
C3 C4 C9 C10 2.2(6) . . . . ? 
C5 C4 C9 C10 -176.3(4) . . . . ? 
C7 C8 C9 C4 -3.3(9) . . . . ? 
C7 C8 C9 C10 175.1(6) . . . . ? 
C2 C1 C10 C9 1.2(6) . . . . ? 
P1 C1 C10 C9 -174.9(3) . . . . ? 
C2 C1 C10 C11 179.7(4) . . . . ? 
P1 C1 C10 C11 3.6(6) . . . . ? 
C4 C9 C10 C1 -2.3(6) . . . . ? 
C8 C9 C10 C1 179.2(5) . . . . ? 
C4 C9 C10 C11 179.1(4) . . . . ? 
C8 C9 C10 C11 0.6(6) . . . . ? 
C1 C10 C11 C20 92.1(5) . . . . ? 
C9 C10 C11 C20 -89.3(5) . . . . ? 
C1 C10 C11 C12 -89.2(5) . . . . ? 
C9 C10 C11 C12 89.3(5) . . . . ? 
C20 C11 C12 C13 -177.8(5) . . . . ? 
C10 C11 C12 C13 3.6(7) . . . . ? 
C20 C11 C12 C17 1.4(7) . . . . ? 
C10 C11 C12 C17 -177.2(4) . . . . ? 
C11 C12 C13 C14 178.4(6) . . . . ? 
C17 C12 C13 C14 -0.8(9) . . . . ? 
C12 C13 C14 C15 0.7(12) . . . . ? 
C13 C14 C15 C16 -0.2(14) . . . . ? 
C14 C15 C16 C17 -0.3(15) . . . . ? 
C15 C16 C17 C18 179.8(8) . . . . ? 
C15 C16 C17 C12 0.2(13) . . . . ? 
C13 C12 C17 C18 -179.3(6) . . . . ? 
C11 C12 C17 C18 1.4(8) . . . . ? 
C13 C12 C17 C16 0.3(9) . . . . ? 
C11 C12 C17 C16 -178.9(6) . . . . ? 
C16 C17 C18 C19 177.6(7) . . . . ? 
C12 C17 C18 C19 -2.8(9) . . . . ? 
C17 C18 C19 C20 1.2(9) . . . . ? 
C12 C11 C20 C19 -3.0(6) . . . . ? 
C10 C11 C20 C19 175.7(4) . . . . ? 
C12 C11 C20 C21 173.7(4) . . . . ? 
C10 C11 C20 C21 -7.7(6) . . . . ? 
C18 C19 C20 C11 1.7(8) . . . . ? 
C18 C19 C20 C21 -175.2(5) . . . . ? 
C11 C20 C21 C26 61.5(6) . . . . ? 
C19 C20 C21 C26 -121.8(5) . . . . ? 
C11 C20 C21 C22 -119.1(5) . . . . ? 
C19 C20 C21 C22 57.6(6) . . . . ? 
C26 C21 C22 C23 -2.3(8) . . . . ? 
C20 C21 C22 C23 178.3(5) . . . . ? 
C21 C22 C23 C24 2.6(10) . . . . ? 
C22 C23 C24 C25 -1.0(11) . . . . ? 
C23 C24 C25 C26 -0.9(10) . . . . ? 
C24 C25 C26 C21 1.2(9) . . . . ? 
C22 C21 C26 C25 0.4(7) . . . . ? 
C20 C21 C26 C25 179.8(5) . . . . ? 
C33 P1 C27 C28 170.4(4) . . . . ? 
C1 P1 C27 C28 59.4(4) . . . . ? 
Au1 P1 C27 C28 -68.2(4) . . . . ? 
C33 P1 C27 C32 -12.3(5) . . . . ? 
C1 P1 C27 C32 -123.3(4) . . . . ? 
Au1 P1 C27 C32 109.1(4) . . . . ? 
C32 C27 C28 C29 1.5(8) . . . . ? 
P1 C27 C28 C29 178.9(5) . . . . ? 
C27 C28 C29 C30 -0.9(9) . . . . ? 
C28 C29 C30 C31 -0.4(10) . . . . ? 
C29 C30 C31 C32 1.2(10) . . . . ? 
C30 C31 C32 C27 -0.7(9) . . . . ? 
C28 C27 C32 C31 -0.7(8) . . . . ? 
P1 C27 C32 C31 -177.9(4) . . . . ? 
C27 P1 C33 C38 97.1(5) . . . . ? 
C1 P1 C33 C38 -154.8(4) . . . . ? 
Au1 P1 C33 C38 -24.2(5) . . . . ? 
C27 P1 C33 C34 -83.9(5) . . . . ? 
C1 P1 C33 C34 24.2(5) . . . . ? 
Au1 P1 C33 C34 154.8(5) . . . . ? 
C38 C33 C34 C35 -0.5(10) . . . . ? 
P1 C33 C34 C35 -179.5(6) . . . . ? 
C33 C34 C35 C36 0.5(12) . . . . ? 
C34 C35 C36 C37 -1.5(13) . . . . ? 
C35 C36 C37 C38 2.6(12) . . . . ? 
C34 C33 C38 C37 1.6(9) . . . . ? 
P1 C33 C38 C37 -179.4(5) . . . . ? 
C36 C37 C38 C33 -2.7(11) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              25.99 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.632 
_refine_diff_density_min   -0.476 
_refine_diff_density_rms    0.064 
