data_2008src0886

#Dr. S. L. James/Dr, C. Lagunas
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C54 H39 Au2 Cl4 F6 O P2'
_chemical_formula_weight          1415.53
 
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'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 '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            triclinic
_symmetry_space_group_name_H-M    P-1
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    12.17660(10)
_cell_length_b                    14.4577(2)
_cell_length_c                    15.1547(2)
_cell_angle_alpha                 76.8180(10)
_cell_angle_beta                  79.6220(10)
_cell_angle_gamma                 73.5100(10)
_cell_volume                      2471.67(5)
_cell_formula_units_Z             2
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     11096
_cell_measurement_theta_min       2.910
_cell_measurement_theta_max       27.485
 
_exptl_crystal_description        Block
_exptl_crystal_colour             Colourless
_exptl_crystal_size_max           0.36
_exptl_crystal_size_mid           0.30
_exptl_crystal_size_min           0.16
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.902
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1362
_exptl_absorpt_coefficient_mu     6.273
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.2111
_exptl_absorpt_correction_T_max   0.4335
_exptl_absorpt_process_details       'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details
;
SADABS was used to perform the Absorption correction
Estimated minimum and maximum transmission: 0.5612 0.7456
The given Tmin and Tmax were generated using the SHELX SIZE command
;


_diffrn_ambient_temperature           120(2)
_diffrn_radiation_wavelength           0.71073
_diffrn_radiation_type                      MoK\a
_diffrn_radiation_source                  'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator    'graphite'
_diffrn_measurement_device_type   
'Bruker-Nonius Roper CCD camera on κ-goniostat'
_diffrn_measurement_method          'φ & ω scans'
_diffrn_detector_area_resol_mean   '9.091'
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             50329
_diffrn_reflns_av_R_equivalents   0.0380
_diffrn_reflns_av_sigmaI/netI     0.0320
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        -18
_diffrn_reflns_limit_k_max        18
_diffrn_reflns_limit_l_min        -19
_diffrn_reflns_limit_l_max        19
_diffrn_reflns_theta_min          2.96
_diffrn_reflns_theta_max          27.48
_reflns_number_total              11310
_reflns_number_gt                 10129
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        
'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
#Although determined using DirAx, the cell is refined in the HKL
#package during data reduction
_computing_data_reduction         
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997a)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997b)' 
_computing_molecular_graphics     'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material   'WinGX (Farrugia, 1999)'
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[σ²(Fo²)+(0.0063P)²+2.8735P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          11310
_refine_ls_number_parameters      625
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0267
_refine_ls_R_factor_gt            0.0213
_refine_ls_wR_factor_ref          0.0438
_refine_ls_wR_factor_gt           0.0424
_refine_ls_goodness_of_fit_ref    1.081
_refine_ls_restrained_S_all       1.081
_refine_ls_shift/su_max           0.004
_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 0.753119(8) 0.726544(7) 0.762046(6) 0.01172(3) Uani 1 1 d . . .
Au2 Au 0.820546(8) 0.914656(7) 0.714248(7) 0.01182(3) Uani 1 1 d . . .
C1 C 0.9643(2) 0.54058(19) 0.69284(17) 0.0122(5) Uani 1 1 d . . .
C2 C 1.0384(2) 0.54595(19) 0.75106(17) 0.0106(5) Uani 1 1 d . . .
C3 C 1.1051(2) 0.4629(2) 0.80148(18) 0.0143(6) Uani 1 1 d . . .
C4 C 1.1013(2) 0.3714(2) 0.78857(19) 0.0174(6) Uani 1 1 d . . .
H4 H 1.1469 0.3135 0.8214 0.021 Uiso 1 1 calc R . .
C5 C 1.0318(2) 0.3635(2) 0.72850(19) 0.0182(6) Uani 1 1 d . . .
H5 H 1.0317 0.3006 0.7195 0.022 Uiso 1 1 calc R . .
C6 C 0.9626(2) 0.4475(2) 0.68167(18) 0.0157(6) Uani 1 1 d . . .
H6 H 0.9139 0.4417 0.6419 0.019 Uiso 1 1 calc R . .
C7 C 1.0340(2) 0.74797(19) 0.85410(17) 0.0094(5) Uani 1 1 d . . .
C8 C 1.0638(2) 0.65186(19) 0.83861(17) 0.0098(5) Uani 1 1 d . . .
C9 C 1.1185(2) 0.57189(19) 0.89959(18) 0.0120(5) Uani 1 1 d . . .
C10 C 1.1257(2) 0.5881(2) 0.98557(18) 0.0161(6) Uani 1 1 d . . .
H10 H 1.1583 0.5345 1.0303 0.019 Uiso 1 1 calc R . .
C11 C 1.0861(2) 0.6810(2) 1.00648(18) 0.0160(6) Uani 1 1 d . . .
H11 H 1.0869 0.6899 1.0665 0.019 Uiso 1 1 calc R . .
C12 C 1.0449(2) 0.7615(2) 0.94018(17) 0.0129(5) Uani 1 1 d . . .
H12 H 1.0241 0.8258 0.9534 0.015 Uiso 1 1 calc R . .
C13 C 1.1803(2) 0.4775(2) 0.86417(19) 0.0156(6) Uani 1 1 d . . .
C14 C 1.2945(3) 0.4944(2) 0.8061(2) 0.0249(7) Uani 1 1 d . . .
H14A H 1.3363 0.4355 0.7810 0.037 Uiso 1 1 calc R . .
H14B H 1.3425 0.5077 0.8447 0.037 Uiso 1 1 calc R . .
H14C H 1.2766 0.5505 0.7560 0.037 Uiso 1 1 calc R . .
C15 C 1.2095(3) 0.3890(2) 0.9408(2) 0.0257(7) Uani 1 1 d . . .
H15A H 1.1382 0.3787 0.9788 0.039 Uiso 1 1 calc R . .
H15B H 1.2599 0.4008 0.9784 0.039 Uiso 1 1 calc R . .
H15C H 1.2491 0.3304 0.9145 0.039 Uiso 1 1 calc R . .
C16 C 0.7720(2) 0.6089(2) 0.58879(18) 0.0139(6) Uani 1 1 d . . .
C17 C 0.7990(2) 0.6030(2) 0.49647(19) 0.0180(6) Uani 1 1 d . . .
H17 H 0.8631 0.6248 0.4617 0.022 Uiso 1 1 calc R . .
C18 C 0.7328(3) 0.5657(2) 0.4555(2) 0.0238(7) Uani 1 1 d . . .
H18 H 0.7514 0.5618 0.3926 0.029 Uiso 1 1 calc R . .
C19 C 0.6396(3) 0.5341(3) 0.5058(2) 0.0365(9) Uani 1 1 d . . .
H19 H 0.5949 0.5075 0.4777 0.044 Uiso 1 1 calc R . .
C20 C 0.6110(3) 0.5410(3) 0.5970(2) 0.0429(10) Uani 1 1 d . . .
H20 H 0.5465 0.5194 0.6314 0.051 Uiso 1 1 calc R . .
C21 C 0.6763(3) 0.5793(3) 0.6385(2) 0.0298(8) Uani 1 1 d . . .
H21 H 0.6556 0.5853 0.7008 0.036 Uiso 1 1 calc R . .
C22 C 0.9409(2) 0.71857(19) 0.55211(17) 0.0118(5) Uani 1 1 d . . .
C23 C 0.8813(2) 0.8095(2) 0.50710(18) 0.0157(6) Uani 1 1 d . . .
H23 H 0.8055 0.8397 0.5317 0.019 Uiso 1 1 calc R . .
C24 C 0.9324(3) 0.8558(2) 0.42668(19) 0.0200(6) Uani 1 1 d . . .
H24 H 0.8912 0.9174 0.3960 0.024 Uiso 1 1 calc R . .
C25 C 1.0432(3) 0.8130(2) 0.39046(19) 0.0209(6) Uani 1 1 d . . .
H25 H 1.0777 0.8448 0.3348 0.025 Uiso 1 1 calc R . .
C26 C 1.1039(3) 0.7232(2) 0.43600(19) 0.0195(6) Uani 1 1 d . . .
H26 H 1.1805 0.6944 0.4119 0.023 Uiso 1 1 calc R . .
C27 C 1.0535(2) 0.6756(2) 0.51626(18) 0.0155(6) Uani 1 1 d . . .
H27 H 1.0950 0.6141 0.5468 0.019 Uiso 1 1 calc R . .
C28 C 1.0230(2) 0.95393(19) 0.80413(17) 0.0127(5) Uani 1 1 d . . .
C29 C 0.9316(3) 1.0104(2) 0.85378(19) 0.0189(6) Uani 1 1 d . . .
H29 H 0.8585 0.9956 0.8661 0.023 Uiso 1 1 calc R . .
C30 C 0.9464(3) 1.0885(2) 0.8855(2) 0.0242(7) Uani 1 1 d . . .
H30 H 0.8835 1.1269 0.9192 0.029 Uiso 1 1 calc R . .
C31 C 1.0527(3) 1.1104(2) 0.86798(19) 0.0242(7) Uani 1 1 d . . .
H31 H 1.0632 1.1632 0.8903 0.029 Uiso 1 1 calc R . .
C32 C 1.1432(3) 1.0554(2) 0.8182(2) 0.0236(7) Uani 1 1 d . . .
H32 H 1.2158 1.0711 0.8054 0.028 Uiso 1 1 calc R . .
C33 C 1.1294(2) 0.9771(2) 0.78638(18) 0.0162(6) Uani 1 1 d . . .
H33 H 1.1926 0.9393 0.7525 0.019 Uiso 1 1 calc R . .
C34 C 1.1231(2) 0.8286(2) 0.67407(18) 0.0132(6) Uani 1 1 d . . .
C35 C 1.1101(3) 0.8786(2) 0.58448(18) 0.0185(6) Uani 1 1 d . . .
H35 H 1.0370 0.9190 0.5695 0.022 Uiso 1 1 calc R . .
C36 C 1.2046(3) 0.8690(3) 0.5177(2) 0.0271(8) Uani 1 1 d . . .
H36 H 1.1965 0.9041 0.4571 0.033 Uiso 1 1 calc R . .
C37 C 1.3102(3) 0.8088(3) 0.5388(2) 0.0314(8) Uani 1 1 d . . .
H37 H 1.3741 0.8017 0.4924 0.038 Uiso 1 1 calc R . .
C38 C 1.3239(3) 0.7586(2) 0.6274(2) 0.0281(7) Uani 1 1 d . . .
H38 H 1.3969 0.7171 0.6415 0.034 Uiso 1 1 calc R . .
C39 C 1.2307(2) 0.7692(2) 0.6953(2) 0.0187(6) Uani 1 1 d . . .
H39 H 1.2401 0.7360 0.7563 0.022 Uiso 1 1 calc R . .
O1 O 1.04219(15) 0.63967(13) 0.75576(12) 0.0117(4) Uani 1 1 d . . .
P1 P 0.86178(6) 0.65230(5) 0.64653(4) 0.01098(14) Uani 1 1 d . . .
P2 P 1.00001(6) 0.85349(5) 0.76102(4) 0.01004(14) Uani 1 1 d . . .
C41 C 0.6377(2) 0.7804(2) 0.86653(17) 0.0146(6) Uani 1 1 d . . .
C42 C 0.5228(2) 0.7808(2) 0.87237(19) 0.0195(6) Uani 1 1 d . . .
C43 C 0.4378(2) 0.8158(2) 0.9390(2) 0.0235(7) Uani 1 1 d . . .
C44 C 0.4680(3) 0.8521(2) 1.00444(19) 0.0225(7) Uani 1 1 d . . .
C45 C 0.5812(3) 0.8550(2) 1.00321(18) 0.0189(6) Uani 1 1 d . . .
C46 C 0.6616(2) 0.8194(2) 0.93367(18) 0.0150(6) Uani 1 1 d . . .
F42 F 0.48959(15) 0.74417(14) 0.80929(11) 0.0291(4) Uani 1 1 d . . .
F44 F 0.38719(16) 0.88643(15) 1.07065(12) 0.0363(5) Uani 1 1 d . . .
F46 F 0.77204(13) 0.82317(12) 0.93384(11) 0.0195(4) Uani 1 1 d . . .
Cl43 Cl 0.29659(7) 0.81274(8) 0.93964(6) 0.0422(2) Uani 1 1 d . . .
Cl45 Cl 0.61936(8) 0.90045(6) 1.08539(5) 0.03216(19) Uani 1 1 d . . .
C51 C 0.6604(2) 1.0022(2) 0.68387(17) 0.0134(6) Uani 1 1 d . . .
C52 C 0.5780(2) 0.9756(2) 0.65049(18) 0.0154(6) Uani 1 1 d . . .
C53 C 0.4684(2) 1.0352(2) 0.63701(19) 0.0184(6) Uani 1 1 d . . .
C54 C 0.4402(2) 1.1278(2) 0.6585(2) 0.0213(7) Uani 1 1 d . . .
C55 C 0.5187(3) 1.1604(2) 0.6900(2) 0.0211(6) Uani 1 1 d . . .
C56 C 0.6262(2) 1.0966(2) 0.70233(18) 0.0165(6) Uani 1 1 d . . .
F52 F 0.60298(14) 0.88592(12) 0.62792(11) 0.0217(4) Uani 1 1 d . . .
F54 F 0.33404(14) 1.18772(14) 0.64660(13) 0.0336(5) Uani 1 1 d . . .
F56 F 0.70196(14) 1.13102(12) 0.73303(11) 0.0232(4) Uani 1 1 d . . .
Cl53 Cl 0.37068(6) 0.99567(6) 0.59525(5) 0.02775(17) Uani 1 1 d . . .
Cl55 Cl 0.48365(8) 1.27719(6) 0.71382(7) 0.0385(2) Uani 1 1 d . . .
C61 C 0.5338(4) 0.4553(3) 0.9808(3) 0.0521(11) Uani 1 1 d . . .
H61A H 0.4805 0.4149 0.9803 0.063 Uiso 1 1 calc R . .
H61B H 0.5918 0.4158 1.0219 0.063 Uiso 1 1 calc R . .
C62 C 0.5949(4) 0.4772(4) 0.8855(3) 0.0546(12) Uani 1 1 d . . .
H62A H 0.6523 0.5135 0.8866 0.065 Uiso 1 1 calc R . .
H62B H 0.5379 0.5202 0.8450 0.065 Uiso 1 1 calc R . .
C63 C 0.6573(4) 0.3835(4) 0.8450(3) 0.0655(14) Uani 1 1 d . . .
H63A H 0.7145 0.3407 0.8844 0.098 Uiso 1 1 calc R . .
H63B H 0.6961 0.4023 0.7837 0.098 Uiso 1 1 calc R . .
H63C H 0.6006 0.3484 0.8415 0.098 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 C41 2.056(3) . ?
Au1 P1 2.2768(7) . ?
Au1 Au2 2.95809(15) . ?
Au2 C51 2.068(3) . ?
Au2 P2 2.2880(7) . ?
C1 C2 1.399(4) . ?
C1 C6 1.401(4) . ?
C1 P1 1.820(3) . ?
C2 O1 1.387(3) . ?
C2 C3 1.392(4) . ?
C3 C4 1.394(4) . ?
C3 C13 1.517(4) . ?
C4 C5 1.392(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.396(4) . ?
C7 C12 1.397(3) . ?
C7 P2 1.833(3) . ?
C8 O1 1.387(3) . ?
C8 C9 1.390(4) . ?
C9 C10 1.397(4) . ?
C9 C13 1.524(4) . ?
C10 C11 1.381(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C15 1.525(4) . ?
C13 C14 1.556(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.389(4) . ?
C16 C17 1.395(4) . ?
C16 P1 1.828(3) . ?
C17 C18 1.381(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.378(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.387(5) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.396(4) . ?
C22 C27 1.401(4) . ?
C22 P1 1.815(3) . ?
C23 C24 1.382(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.392(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.391(4) . ?
C28 C33 1.395(4) . ?
C28 P2 1.828(3) . ?
C29 C30 1.390(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.385(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.376(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.388(4) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C39 1.395(4) . ?
C34 C35 1.398(4) . ?
C34 P2 1.819(3) . ?
C35 C36 1.386(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.378(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.387(4) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C41 C46 1.379(4) . ?
C41 C42 1.384(4) . ?
C42 F42 1.361(3) . ?
C42 C43 1.381(4) . ?
C43 C44 1.369(4) . ?
C43 Cl43 1.731(3) . ?
C44 F44 1.348(3) . ?
C44 C45 1.387(4) . ?
C45 C46 1.387(4) . ?
C45 Cl45 1.719(3) . ?
C46 F46 1.361(3) . ?
C51 C52 1.379(4) . ?
C51 C56 1.387(4) . ?
C52 F52 1.353(3) . ?
C52 C53 1.389(4) . ?
C53 C54 1.382(4) . ?
C53 Cl53 1.723(3) . ?
C54 F54 1.353(3) . ?
C54 C55 1.374(4) . ?
C55 C56 1.387(4) . ?
C55 Cl55 1.726(3) . ?
C56 F56 1.354(3) . ?
C61 C61 1.501(9) 2_667 ?
C61 C62 1.510(5) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.554(7) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
 
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
C41 Au1 P1 171.04(8) . . ?
C41 Au1 Au2 88.27(8) . . ?
P1 Au1 Au2 99.691(18) . . ?
C51 Au2 P2 164.84(8) . . ?
C51 Au2 Au1 96.17(8) . . ?
P2 Au2 Au1 96.464(17) . . ?
C2 C1 C6 118.1(2) . . ?
C2 C1 P1 119.0(2) . . ?
C6 C1 P1 122.5(2) . . ?
O1 C2 C3 121.4(2) . . ?
O1 C2 C1 116.0(2) . . ?
C3 C2 C1 122.6(2) . . ?
C2 C3 C4 117.6(2) . . ?
C2 C3 C13 118.1(2) . . ?
C4 C3 C13 124.3(2) . . ?
C5 C4 C3 121.2(3) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C6 C5 C4 120.1(3) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 120.3(3) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C8 C7 C12 117.7(2) . . ?
C8 C7 P2 121.27(19) . . ?
C12 C7 P2 120.6(2) . . ?
O1 C8 C9 120.5(2) . . ?
O1 C8 C7 116.6(2) . . ?
C9 C8 C7 122.8(2) . . ?
C8 C9 C10 117.1(2) . . ?
C8 C9 C13 117.9(2) . . ?
C10 C9 C13 124.4(2) . . ?
C11 C10 C9 121.0(3) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C10 C11 C12 120.4(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C7 120.1(3) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
C3 C13 C9 107.6(2) . . ?
C3 C13 C15 112.3(2) . . ?
C9 C13 C15 112.7(2) . . ?
C3 C13 C14 108.2(2) . . ?
C9 C13 C14 106.9(2) . . ?
C15 C13 C14 108.8(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 119.5(3) . . ?
C21 C16 P1 119.2(2) . . ?
C17 C16 P1 121.4(2) . . ?
C18 C17 C16 120.2(3) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C19 C18 C17 120.0(3) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 120.3(3) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C19 C20 C21 120.1(3) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C16 119.9(3) . . ?
C20 C21 H21 120.0 . . ?
C16 C21 H21 120.0 . . ?
C23 C22 C27 119.6(2) . . ?
C23 C22 P1 118.0(2) . . ?
C27 C22 P1 121.8(2) . . ?
C24 C23 C22 120.1(3) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.5(3) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C24 C25 C26 119.6(3) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C27 C26 C25 120.5(3) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C26 C27 C22 119.6(3) . . ?
C26 C27 H27 120.2 . . ?
C22 C27 H27 120.2 . . ?
C29 C28 C33 119.0(3) . . ?
C29 C28 P2 119.5(2) . . ?
C33 C28 P2 121.6(2) . . ?
C30 C29 C28 120.4(3) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C32 C31 C30 119.8(3) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C33 120.6(3) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C28 120.1(3) . . ?
C32 C33 H33 119.9 . . ?
C28 C33 H33 119.9 . . ?
C39 C34 C35 119.7(3) . . ?
C39 C34 P2 122.3(2) . . ?
C35 C34 P2 117.7(2) . . ?
C36 C35 C34 119.6(3) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C37 C36 C35 120.3(3) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C36 C37 C38 120.5(3) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C39 C38 C37 119.7(3) . . ?
C39 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C38 C39 C34 120.0(3) . . ?
C38 C39 H39 120.0 . . ?
C34 C39 H39 120.0 . . ?
C8 O1 C2 116.18(19) . . ?
C22 P1 C1 107.09(12) . . ?
C22 P1 C16 102.67(12) . . ?
C1 P1 C16 103.90(12) . . ?
C22 P1 Au1 121.19(9) . . ?
C1 P1 Au1 109.98(8) . . ?
C16 P1 Au1 110.50(9) . . ?
C34 P2 C28 103.12(12) . . ?
C34 P2 C7 103.11(12) . . ?
C28 P2 C7 103.27(12) . . ?
C34 P2 Au2 117.77(9) . . ?
C28 P2 Au2 104.06(9) . . ?
C7 P2 Au2 122.93(8) . . ?
C46 C41 C42 114.0(2) . . ?
C46 C41 Au1 126.6(2) . . ?
C42 C41 Au1 119.4(2) . . ?
F42 C42 C43 116.7(3) . . ?
F42 C42 C41 118.9(2) . . ?
C43 C42 C41 124.4(3) . . ?
C44 C43 C42 118.5(3) . . ?
C44 C43 Cl43 121.1(2) . . ?
C42 C43 Cl43 120.4(2) . . ?
F44 C44 C43 120.0(3) . . ?
F44 C44 C45 119.2(3) . . ?
C43 C44 C45 120.8(3) . . ?
C44 C45 C46 117.4(3) . . ?
C44 C45 Cl45 120.9(2) . . ?
C46 C45 Cl45 121.7(2) . . ?
F46 C46 C41 118.8(2) . . ?
F46 C46 C45 116.3(2) . . ?
C41 C46 C45 124.9(3) . . ?
C52 C51 C56 114.3(2) . . ?
C52 C51 Au2 126.8(2) . . ?
C56 C51 Au2 118.7(2) . . ?
F52 C52 C51 119.4(2) . . ?
F52 C52 C53 116.0(2) . . ?
C51 C52 C53 124.6(3) . . ?
C54 C53 C52 117.6(3) . . ?
C54 C53 Cl53 120.9(2) . . ?
C52 C53 Cl53 121.4(2) . . ?
F54 C54 C55 119.6(3) . . ?
F54 C54 C53 119.3(3) . . ?
C55 C54 C53 121.1(3) . . ?
C54 C55 C56 118.1(3) . . ?
C54 C55 Cl55 120.7(2) . . ?
C56 C55 Cl55 121.2(2) . . ?
F56 C56 C51 119.0(2) . . ?
F56 C56 C55 116.7(3) . . ?
C51 C56 C55 124.2(3) . . ?
C61 C61 C62 114.4(4) 2_667 . ?
C61 C61 H61A 108.7 2_667 . ?
C62 C61 H61A 108.7 . . ?
C61 C61 H61B 108.7 2_667 . ?
C62 C61 H61B 108.7 . . ?
H61A C61 H61B 107.6 . . ?
C61 C62 C63 113.3(4) . . ?
C61 C62 H62A 108.9 . . ?
C63 C62 H62A 108.9 . . ?
C61 C62 H62B 108.9 . . ?
C63 C62 H62B 108.9 . . ?
H62A C62 H62B 107.7 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
 
_diffrn_measured_fraction_theta_max    0.998
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.998
_refine_diff_density_max    0.522
_refine_diff_density_min   -0.778
_refine_diff_density_rms    0.104
