 
data_2008src0880

#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
 'C48 H28 Au2 Cl4 F6 O P2'
_chemical_formula_weight          1332.38
 
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            monoclinic
_symmetry_space_group_name_H-M    P2(1)/c
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    12.7644(2)
_cell_length_b                    11.9584(2)
_cell_length_c                    29.2566(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  98.8010(10)
_cell_angle_gamma                 90.00
_cell_volume                      4413.20(13)
_cell_formula_units_Z             4
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     7758
_cell_measurement_theta_min       2.910
_cell_measurement_theta_max       27.485
 
_exptl_crystal_description        Block
_exptl_crystal_colour             Colourless
_exptl_crystal_size_max           0.44
_exptl_crystal_size_mid           0.36
_exptl_crystal_size_min           0.22
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     2.005
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              2536
_exptl_absorpt_coefficient_mu     7.019
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.1482
_exptl_absorpt_correction_T_max   0.3073
_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: 0.4971 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             28235
_diffrn_reflns_av_R_equivalents   0.0404
_diffrn_reflns_av_sigmaI/netI     0.0471
_diffrn_reflns_limit_h_min        -16
_diffrn_reflns_limit_h_max        16
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -37
_diffrn_reflns_limit_l_max        37
_diffrn_reflns_theta_min          2.99
_diffrn_reflns_theta_max          27.48
_reflns_number_total              9418
_reflns_number_gt                 7931
_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)+(0.0233P)²+37.4939P] 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          9418
_refine_ls_number_parameters      568
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0462
_refine_ls_R_factor_gt            0.0343
_refine_ls_wR_factor_ref          0.0968
_refine_ls_wR_factor_gt           0.0854
_refine_ls_goodness_of_fit_ref    1.107
_refine_ls_restrained_S_all       1.107
_refine_ls_shift/su_max           0.003
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Au1 Au 0.001599(19) 0.75850(2) 0.604850(8) 0.01686(7) Uani 1 1 d . . .
Au2 Au 0.494836(19) 0.63379(2) 0.649652(9) 0.01943(7) Uani 1 1 d . . .
C1 C 0.2268(5) 0.8869(5) 0.5742(2) 0.0189(13) Uani 1 1 d . . .
C2 C 0.2770(5) 0.7877(6) 0.5644(2) 0.0223(15) Uani 1 1 d . . .
C3 C 0.3449(6) 0.7814(7) 0.5319(2) 0.0302(17) Uani 1 1 d . . .
H3 H 0.3765 0.7123 0.5255 0.036 Uiso 1 1 calc R . .
C4 C 0.3659(6) 0.8777(7) 0.5089(3) 0.036(2) Uani 1 1 d . . .
H4 H 0.4127 0.8756 0.4866 0.044 Uiso 1 1 calc R . .
C5 C 0.3185(6) 0.9774(7) 0.5185(3) 0.0325(18) Uani 1 1 d . . .
H5 H 0.3336 1.0433 0.5026 0.039 Uiso 1 1 calc R . .
C6 C 0.2496(5) 0.9832(6) 0.5506(2) 0.0232(14) Uani 1 1 d . . .
H6 H 0.2179 1.0525 0.5566 0.028 Uiso 1 1 calc R . .
C7 C 0.2631(5) 0.5004(6) 0.5949(2) 0.0188(13) Uani 1 1 d . . .
C8 C 0.2288(5) 0.5968(6) 0.5709(2) 0.0196(14) Uani 1 1 d . . .
C9 C 0.1616(6) 0.5937(6) 0.5281(2) 0.0272(16) Uani 1 1 d . . .
H9 H 0.1400 0.6606 0.5119 0.033 Uiso 1 1 calc R . .
C10 C 0.1276(5) 0.4904(7) 0.5103(2) 0.0262(16) Uani 1 1 d . . .
H10 H 0.0848 0.4862 0.4808 0.031 Uiso 1 1 calc R . .
C11 C 0.1554(5) 0.3930(6) 0.5350(2) 0.0241(15) Uani 1 1 d . . .
H11 H 0.1273 0.3231 0.5236 0.029 Uiso 1 1 calc R . .
C12 C 0.2252(5) 0.3981(6) 0.5768(2) 0.0207(14) Uani 1 1 d . . .
H12 H 0.2468 0.3310 0.5929 0.025 Uiso 1 1 calc R . .
C13 C 0.2190(5) 0.8846(5) 0.6724(2) 0.0191(13) Uani 1 1 d . . .
C14 C 0.3298(5) 0.8784(6) 0.6769(3) 0.0253(15) Uani 1 1 d . . .
H14 H 0.3644 0.8744 0.6505 0.030 Uiso 1 1 calc R . .
C15 C 0.3878(5) 0.8784(5) 0.7213(2) 0.0219(14) Uani 1 1 d . . .
H15 H 0.4628 0.8716 0.7250 0.026 Uiso 1 1 calc R . .
C16 C 0.3386(6) 0.8882(6) 0.7602(2) 0.0255(15) Uani 1 1 d . . .
H16 H 0.3796 0.8904 0.7902 0.031 Uiso 1 1 calc R . .
C17 C 0.2295(6) 0.8946(6) 0.7550(2) 0.0282(16) Uani 1 1 d . . .
H17 H 0.1955 0.9014 0.7816 0.034 Uiso 1 1 calc R . .
C18 C 0.1690(6) 0.8912(6) 0.7114(2) 0.0236(15) Uani 1 1 d . . .
H18 H 0.0939 0.8933 0.7082 0.028 Uiso 1 1 calc R . .
C19 C 0.0759(5) 1.0250(6) 0.6101(2) 0.0233(14) Uani 1 1 d . . .
C20 C 0.1105(6) 1.1137(6) 0.6393(2) 0.0250(15) Uani 1 1 d . . .
H20 H 0.1673 1.1033 0.6640 0.030 Uiso 1 1 calc R . .
C21 C 0.0621(7) 1.2177(7) 0.6323(3) 0.0373(19) Uani 1 1 d . . .
H21 H 0.0840 1.2778 0.6528 0.045 Uiso 1 1 calc R . .
C22 C -0.0194(6) 1.2336(7) 0.5947(3) 0.039(2) Uani 1 1 d . . .
H22 H -0.0517 1.3050 0.5895 0.047 Uiso 1 1 calc R . .
C23 C -0.0523(6) 1.1469(7) 0.5657(3) 0.040(2) Uani 1 1 d . . .
H23 H -0.1069 1.1585 0.5402 0.048 Uiso 1 1 calc R . .
C24 C -0.0065(6) 1.0420(6) 0.5732(3) 0.0284(16) Uani 1 1 d . . .
H24 H -0.0309 0.9816 0.5533 0.034 Uiso 1 1 calc R . .
C25 C 0.3981(5) 0.3676(5) 0.6578(2) 0.0169(13) Uani 1 1 d . . .
C26 C 0.4660(5) 0.3251(6) 0.6278(2) 0.0236(15) Uani 1 1 d . . .
H26 H 0.4913 0.3730 0.6060 0.028 Uiso 1 1 calc R . .
C27 C 0.4952(5) 0.2132(7) 0.6304(3) 0.0284(16) Uani 1 1 d . . .
H27 H 0.5386 0.1835 0.6098 0.034 Uiso 1 1 calc R . .
C28 C 0.4607(6) 0.1451(6) 0.6634(2) 0.0253(15) Uani 1 1 d . . .
H28 H 0.4812 0.0686 0.6653 0.030 Uiso 1 1 calc R . .
C29 C 0.3969(6) 0.1866(6) 0.6936(3) 0.0304(17) Uani 1 1 d . . .
H29 H 0.3748 0.1391 0.7163 0.036 Uiso 1 1 calc R . .
C30 C 0.3651(5) 0.2977(6) 0.6906(2) 0.0239(15) Uani 1 1 d . . .
H30 H 0.3205 0.3260 0.7111 0.029 Uiso 1 1 calc R . .
C31 C 0.2771(5) 0.5453(5) 0.6926(2) 0.0175(13) Uani 1 1 d . . .
C32 C 0.3293(5) 0.5841(6) 0.7350(2) 0.0214(14) Uani 1 1 d . . .
H32 H 0.4043 0.5906 0.7403 0.026 Uiso 1 1 calc R . .
C33 C 0.2707(6) 0.6131(6) 0.7693(2) 0.0241(15) Uani 1 1 d . . .
H33 H 0.3056 0.6401 0.7982 0.029 Uiso 1 1 calc R . .
C34 C 0.1620(6) 0.6029(6) 0.7617(2) 0.0232(14) Uani 1 1 d . . .
H34 H 0.1228 0.6243 0.7854 0.028 Uiso 1 1 calc R . .
C35 C 0.1091(6) 0.5627(7) 0.7209(3) 0.0289(16) Uani 1 1 d . . .
H35 H 0.0343 0.5542 0.7165 0.035 Uiso 1 1 calc R . .
C36 C 0.1676(6) 0.5342(6) 0.6854(2) 0.0258(15) Uani 1 1 d . . .
H36 H 0.1320 0.5074 0.6566 0.031 Uiso 1 1 calc R . .
O1 O 0.2597(4) 0.6971(4) 0.59241(15) 0.0229(10) Uani 1 1 d . . .
P1 P 0.13563(13) 0.88657(14) 0.61623(5) 0.0156(3) Uani 1 1 d . . .
P2 P 0.35671(13) 0.51196(14) 0.64818(6) 0.0164(3) Uani 1 1 d . . .
C41 C -0.1340(5) 0.6633(5) 0.5904(2) 0.0174(13) Uani 1 1 d . . .
C42 C -0.2169(5) 0.7066(6) 0.5594(2) 0.0213(14) Uani 1 1 d . . .
C43 C -0.3110(5) 0.6500(6) 0.5437(2) 0.0213(14) Uani 1 1 d . . .
C44 C -0.3241(5) 0.5455(6) 0.5622(2) 0.0227(14) Uani 1 1 d . . .
C45 C -0.2446(5) 0.4973(6) 0.5938(2) 0.0215(14) Uani 1 1 d . . .
C46 C -0.1525(5) 0.5594(6) 0.6072(2) 0.0204(14) Uani 1 1 d . . .
F42 F -0.2068(3) 0.8090(3) 0.54060(14) 0.0287(9) Uani 1 1 d . . .
F44 F -0.4126(3) 0.4867(4) 0.54736(14) 0.0314(10) Uani 1 1 d . . .
F46 F -0.0759(3) 0.5093(3) 0.63742(14) 0.0293(10) Uani 1 1 d . . .
Cl43 Cl -0.40675(14) 0.70479(17) 0.50214(7) 0.0353(4) Uani 1 1 d . . .
Cl45 Cl -0.26178(15) 0.36510(16) 0.61532(6) 0.0326(4) Uani 1 1 d . . .
C51 C 0.6223(5) 0.7435(6) 0.6570(2) 0.0205(14) Uani 1 1 d . . .
C52 C 0.6261(5) 0.8403(6) 0.6324(2) 0.0210(14) Uani 1 1 d . . .
C53 C 0.7124(5) 0.9101(6) 0.6364(2) 0.0222(14) Uani 1 1 d . . .
C54 C 0.8027(5) 0.8802(5) 0.6666(2) 0.0191(13) Uani 1 1 d . . .
C55 C 0.8032(5) 0.7869(6) 0.6933(2) 0.0250(15) Uani 1 1 d . . .
C56 C 0.7122(5) 0.7194(5) 0.6878(2) 0.0223(14) Uani 1 1 d . . .
F52 F 0.5393(3) 0.8731(4) 0.60210(15) 0.0352(11) Uani 1 1 d . . .
F54 F 0.8905(3) 0.9437(3) 0.66973(15) 0.0290(9) Uani 1 1 d . . .
F56 F 0.7171(3) 0.6257(3) 0.71333(16) 0.0347(11) Uani 1 1 d . . .
Cl53 Cl 0.71525(16) 1.02977(15) 0.60360(6) 0.0319(4) Uani 1 1 d . . .
Cl55 Cl 0.91120(15) 0.75329(17) 0.73415(8) 0.0404(5) Uani 1 1 d . . .
 
 
_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 2.061(6) . ?
Au1 P1 2.2823(16) . ?
Au2 C51 2.076(6) . ?
Au2 P2 2.2825(17) . ?
C1 C6 1.395(9) . ?
C1 C2 1.398(10) . ?
C1 P1 1.818(7) . ?
C2 C3 1.383(10) . ?
C2 O1 1.396(8) . ?
C3 C4 1.380(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(10) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.387(9) . ?
C7 C12 1.391(9) . ?
C7 P2 1.817(6) . ?
C8 O1 1.384(8) . ?
C8 C9 1.405(8) . ?
C9 C10 1.384(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(10) . ?
C10 H10 0.9500 . ?
C11 C12 1.400(9) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.394(9) . ?
C13 C14 1.401(9) . ?
C13 P1 1.816(6) . ?
C14 C15 1.393(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.379(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.386(9) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.390(9) . ?
C19 C24 1.402(9) . ?
C19 P1 1.820(7) . ?
C20 C21 1.390(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.405(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.365(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(10) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.387(9) . ?
C25 C26 1.418(9) . ?
C25 P2 1.814(7) . ?
C26 C27 1.389(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.385(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(10) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.388(9) . ?
C31 C32 1.395(9) . ?
C31 P2 1.812(7) . ?
C32 C33 1.384(9) . ?
C32 H32 0.9500 . ?
C33 C34 1.377(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.364(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.409(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C46 1.370(9) . ?
C41 C42 1.385(9) . ?
C42 F42 1.356(8) . ?
C42 C43 1.394(9) . ?
C43 C44 1.383(10) . ?
C43 Cl43 1.716(7) . ?
C44 F44 1.345(7) . ?
C44 C45 1.390(9) . ?
C45 C46 1.395(9) . ?
C45 Cl45 1.728(7) . ?
C46 F46 1.353(7) . ?
C51 C52 1.369(9) . ?
C51 C56 1.376(9) . ?
C52 F52 1.365(7) . ?
C52 C53 1.373(9) . ?
C53 C54 1.387(9) . ?
C53 Cl53 1.727(7) . ?
C54 F54 1.345(7) . ?
C54 C55 1.361(10) . ?
C55 C56 1.403(10) . ?
C55 Cl55 1.729(7) . ?
C56 F56 1.344(7) . ?
 
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 171.09(18) . . ?
C51 Au2 P2 175.20(19) . . ?
C6 C1 C2 117.5(6) . . ?
C6 C1 P1 122.7(5) . . ?
C2 C1 P1 119.8(5) . . ?
C3 C2 O1 122.2(6) . . ?
C3 C2 C1 122.8(6) . . ?
O1 C2 C1 114.8(6) . . ?
C4 C3 C2 118.5(7) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
C3 C4 C5 119.8(7) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 121.5(7) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C5 C6 C1 119.8(7) . . ?
C5 C6 H6 120.1 . . ?
C1 C6 H6 120.1 . . ?
C8 C7 C12 118.2(6) . . ?
C8 C7 P2 119.1(5) . . ?
C12 C7 P2 122.6(5) . . ?
O1 C8 C7 116.3(5) . . ?
O1 C8 C9 121.4(6) . . ?
C7 C8 C9 122.2(6) . . ?
C10 C9 C8 118.2(7) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 H9 120.9 . . ?
C9 C10 C11 120.8(6) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C10 C11 C12 119.7(7) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C7 C12 C11 120.6(6) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C18 C13 C14 120.4(6) . . ?
C18 C13 P1 117.5(5) . . ?
C14 C13 P1 122.0(5) . . ?
C15 C14 C13 118.3(7) . . ?
C15 C14 H14 120.9 . . ?
C13 C14 H14 120.9 . . ?
C16 C15 C14 121.5(6) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C17 C16 C15 119.4(6) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 120.7(7) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 119.7(6) . . ?
C17 C18 H18 120.2 . . ?
C13 C18 H18 120.2 . . ?
C20 C19 C24 119.5(7) . . ?
C20 C19 P1 123.0(5) . . ?
C24 C19 P1 117.4(5) . . ?
C19 C20 C21 120.0(7) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C22 119.7(7) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C23 C22 C21 120.2(7) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.5(7) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 120.0(7) . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
C30 C25 C26 119.4(6) . . ?
C30 C25 P2 124.6(5) . . ?
C26 C25 P2 115.9(5) . . ?
C27 C26 C25 119.7(7) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C28 C27 C26 119.7(7) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C29 C28 C27 121.0(7) . . ?
C29 C28 H28 119.5 . . ?
C27 C28 H28 119.5 . . ?
C28 C29 C30 119.9(7) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C25 C30 C29 120.2(7) . . ?
C25 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C36 C31 C32 119.9(6) . . ?
C36 C31 P2 122.2(5) . . ?
C32 C31 P2 117.8(5) . . ?
C33 C32 C31 119.4(6) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 C32 120.2(6) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 121.6(6) . . ?
C35 C34 H34 119.2 . . ?
C33 C34 H34 119.2 . . ?
C34 C35 C36 118.8(6) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
C31 C36 C35 120.0(6) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C8 O1 C2 117.7(5) . . ?
C13 P1 C1 105.4(3) . . ?
C13 P1 C19 106.2(3) . . ?
C1 P1 C19 103.5(3) . . ?
C13 P1 Au1 116.5(2) . . ?
C1 P1 Au1 116.5(2) . . ?
C19 P1 Au1 107.6(2) . . ?
C31 P2 C25 106.3(3) . . ?
C31 P2 C7 105.3(3) . . ?
C25 P2 C7 101.4(3) . . ?
C31 P2 Au2 111.2(2) . . ?
C25 P2 Au2 113.5(2) . . ?
C7 P2 Au2 118.0(2) . . ?
C46 C41 C42 114.7(6) . . ?
C46 C41 Au1 127.8(5) . . ?
C42 C41 Au1 117.5(5) . . ?
F42 C42 C41 119.5(6) . . ?
F42 C42 C43 115.8(6) . . ?
C41 C42 C43 124.6(6) . . ?
C44 C43 C42 117.4(6) . . ?
C44 C43 Cl43 120.4(5) . . ?
C42 C43 Cl43 122.2(6) . . ?
F44 C44 C43 119.5(6) . . ?
F44 C44 C45 119.3(6) . . ?
C43 C44 C45 121.0(6) . . ?
C44 C45 C46 117.7(6) . . ?
C44 C45 Cl45 120.1(5) . . ?
C46 C45 Cl45 122.3(5) . . ?
F46 C46 C41 119.3(6) . . ?
F46 C46 C45 116.2(6) . . ?
C41 C46 C45 124.5(6) . . ?
C52 C51 C56 115.4(6) . . ?
C52 C51 Au2 124.8(5) . . ?
C56 C51 Au2 119.8(5) . . ?
F52 C52 C51 119.6(6) . . ?
F52 C52 C53 116.3(6) . . ?
C51 C52 C53 124.1(6) . . ?
C52 C53 C54 118.5(6) . . ?
C52 C53 Cl53 122.7(5) . . ?
C54 C53 Cl53 118.7(5) . . ?
F54 C54 C55 119.6(6) . . ?
F54 C54 C53 120.0(6) . . ?
C55 C54 C53 120.4(6) . . ?
C54 C55 C56 118.3(6) . . ?
C54 C55 Cl55 121.4(5) . . ?
C56 C55 Cl55 120.3(5) . . ?
F56 C56 C51 120.1(6) . . ?
F56 C56 C55 116.7(6) . . ?
C51 C56 C55 123.2(6) . . ?
 
_diffrn_measured_fraction_theta_max    0.930
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.930
_refine_diff_density_max    0.988
_refine_diff_density_min   -0.946
_refine_diff_density_rms    0.208
