# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jga
_database_code_depnum_ccdc_archive 'CCDC 1410646'
_audit_update_record             
;
2015-07-03 deposited with the CCDC.
2015-08-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H64 Au P'
_chemical_formula_weight         940.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 '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                   12.8975(10)
_cell_length_b                   12.5051(9)
_cell_length_c                   28.706(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.438(6)
_cell_angle_gamma                90.00
_cell_volume                     4629.6(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    4333
_cell_measurement_theta_min      3.43
_cell_measurement_theta_max      31.31

_exptl_crystal_description       'plate     '
_exptl_crystal_colour            'colorless '
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1928
_exptl_absorpt_coefficient_mu    6.538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5609
_exptl_absorpt_correction_T_max  0.9375
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'MWPC area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            94166
_diffrn_reflns_av_R_equivalents  0.1607
_diffrn_reflns_av_sigmaI/netI    0.0825
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.43
_diffrn_reflns_theta_max         60.00
_reflns_number_total             6802
_reflns_number_gt                4582
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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 w=1/[σ²(Fo²)+(0.0520P)²+0.0000P] 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         6802
_refine_ls_number_parameters     639
_refine_ls_number_restraints     483
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1096
_refine_ls_wR_factor_gt          0.1042
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.003
_refine_ls_shift/su_max          0.000
_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 0.27508(2) 0.66562(2) 0.378763(12) 0.02936(11) Uani 1 1 d . A .
P1 P 0.38739(15) 0.80351(14) 0.39384(8) 0.0317(5) Uani 1 1 d . . .
C1_1 C 0.3662(6) 0.9205(5) 0.3590(3) 0.061(2) Uani 0.371(8) 1 d PDU A 1
C2_1 C 0.3334(12) 0.9092(8) 0.3129(4) 0.063(3) Uani 0.371(8) 1 d PDU A 1
H2A_1 H 0.3270 0.8401 0.2994 0.076 Uiso 0.371(8) 1 calc PR A 1
C3_1 C 0.3098(12) 0.9997(8) 0.2866(4) 0.068(3) Uani 0.371(8) 1 d PDU A 1
H3A_1 H 0.2877 0.9934 0.2551 0.082 Uiso 0.371(8) 1 calc PR A 1
C4_1 C 0.3197(7) 1.1023(6) 0.3081(3) 0.073(2) Uani 0.371(8) 1 d PDU A 1
H4A_1 H 0.3030 1.1647 0.2907 0.088 Uiso 0.371(8) 1 calc PR A 1
C5_1 C 0.3513(12) 1.1120(7) 0.3511(4) 0.071(3) Uani 0.371(8) 1 d PDU A 1
H5A_1 H 0.3583 1.1810 0.3647 0.086 Uiso 0.371(8) 1 calc PR A 1
C6_1 C 0.3747(12) 1.0217(8) 0.3772(4) 0.067(3) Uani 0.371(8) 1 d PDU A 1
H6A_1 H 0.3972 1.0301 0.4086 0.080 Uiso 0.371(8) 1 calc PR A 1
C1_2 C 0.3662(6) 0.9205(5) 0.3590(3) 0.061(2) Uani 0.629(8) 1 d PDU A 2
C2_2 C 0.2687(7) 0.9289(7) 0.3382(4) 0.065(2) Uani 0.629(8) 1 d PDU A 2
H2B_2 H 0.2195 0.8729 0.3415 0.078 Uiso 0.629(8) 1 calc PR A 2
C3_2 C 0.2437(7) 1.0199(8) 0.3126(4) 0.071(2) Uani 0.629(8) 1 d PDU A 2
H3B_2 H 0.1774 1.0272 0.2984 0.085 Uiso 0.629(8) 1 calc PR A 2
C4_2 C 0.3197(7) 1.1023(6) 0.3081(3) 0.073(2) Uani 0.629(8) 1 d PDU A 2
H4B_2 H 0.3042 1.1642 0.2902 0.088 Uiso 0.629(8) 1 calc PR A 2
C5_2 C 0.4102(8) 1.0935(7) 0.3283(4) 0.065(2) Uani 0.629(8) 1 d PDU A 2
H5B_2 H 0.4593 1.1497 0.3255 0.078 Uiso 0.629(8) 1 calc PR A 2
C6_2 C 0.4353(7) 1.0027(7) 0.3538(4) 0.062(2) Uani 0.629(8) 1 d PDU A 2
H6B_2 H 0.5019 0.9975 0.3680 0.075 Uiso 0.629(8) 1 calc PR A 2
C1_3 C 0.3687(5) 0.8540(6) 0.4533(2) 0.0405(14) Uani 0.447(8) 1 d PDU A 1
C2_3 C 0.2693(7) 0.8889(16) 0.4639(4) 0.043(2) Uani 0.447(8) 1 d PDU A 1
H2C_3 H 0.2168 0.8899 0.4405 0.051 Uiso 0.447(8) 1 calc PR A 1
C3_3 C 0.2473(8) 0.9223(16) 0.5089(4) 0.046(2) Uani 0.447(8) 1 d PDU A 1
H3C_3 H 0.1799 0.9468 0.5167 0.055 Uiso 0.447(8) 1 calc PR A 1
C4_3 C 0.3277(6) 0.9192(6) 0.5435(2) 0.0457(15) Uani 0.447(8) 1 d PDU A 1
H4C_3 H 0.3122 0.9339 0.5751 0.055 Uiso 0.447(8) 1 calc PR A 1
C5_3 C 0.4227(7) 0.8961(16) 0.5312(4) 0.045(2) Uani 0.447(8) 1 d PDU A 1
H5C_3 H 0.4769 0.9007 0.5538 0.054 Uiso 0.447(8) 1 calc PR A 1
C6_3 C 0.4459(7) 0.8652(14) 0.4860(4) 0.041(2) Uani 0.447(8) 1 d PDU A 1
H6C_3 H 0.5159 0.8517 0.4777 0.049 Uiso 0.447(8) 1 calc PR A 1
C1_4 C 0.3687(5) 0.8540(6) 0.4533(2) 0.0405(14) Uani 0.553(8) 1 d PDU A 2
C2_4 C 0.3125(11) 0.9474(9) 0.4607(3) 0.043(2) Uani 0.553(8) 1 d PDU A 2
H2D_4 H 0.2886 0.9879 0.4347 0.051 Uiso 0.553(8) 1 calc PR A 2
C3_4 C 0.2912(11) 0.9821(9) 0.5056(3) 0.046(2) Uani 0.553(8) 1 d PDU A 2
H3D_4 H 0.2532 1.0460 0.5108 0.055 Uiso 0.553(8) 1 calc PR A 2
C4_4 C 0.3277(6) 0.9192(6) 0.5435(2) 0.0457(15) Uani 0.553(8) 1 d PDU A 2
H4D_4 H 0.3150 0.9427 0.5744 0.055 Uiso 0.553(8) 1 calc PR A 2
C5_4 C 0.3783(10) 0.8299(9) 0.5369(3) 0.045(2) Uani 0.553(8) 1 d PDU A 2
H5D_4 H 0.3990 0.7875 0.5628 0.054 Uiso 0.553(8) 1 calc PR A 2
C6_4 C 0.4015(11) 0.7973(8) 0.4919(3) 0.042(2) Uani 0.553(8) 1 d PDU A 2
H6D_4 H 0.4412 0.7341 0.4876 0.051 Uiso 0.553(8) 1 calc PR A 2
C1_5 C 0.5248(5) 0.7727(5) 0.3910(3) 0.0334(14) Uani 0.485(8) 1 d PDU A 1
C2_5 C 0.5534(6) 0.6654(7) 0.3896(6) 0.033(2) Uani 0.485(8) 1 d PDU A 1
H2E_5 H 0.5019 0.6114 0.3870 0.040 Uiso 0.485(8) 1 calc PR A 1
C3_5 C 0.6577(7) 0.6378(7) 0.3919(6) 0.036(2) Uani 0.485(8) 1 d PDU A 1
H3E_5 H 0.6784 0.5657 0.3970 0.043 Uiso 0.485(8) 1 calc PR A 1
C4_5 C 0.7329(5) 0.7204(6) 0.3866(3) 0.0368(14) Uani 0.485(8) 1 d PDU A 1
H4E_5 H 0.8037 0.7023 0.3822 0.044 Uiso 0.485(8) 1 calc PR A 1
C5_5 C 0.7052(6) 0.8210(7) 0.3879(6) 0.035(2) Uani 0.485(8) 1 d PDU A 1
H5E_5 H 0.7565 0.8753 0.3901 0.042 Uiso 0.485(8) 1 calc PR A 1
C6_5 C 0.6008(6) 0.8487(7) 0.3859(6) 0.034(2) Uani 0.485(8) 1 d PDU A 1
H6E_5 H 0.5819 0.9213 0.3811 0.040 Uiso 0.485(8) 1 calc PR A 1
C1_6 C 0.5248(5) 0.7727(5) 0.3910(3) 0.0334(14) Uani 0.515(8) 1 d PDU A 2
C2_6 C 0.5550(6) 0.6883(10) 0.3626(5) 0.033(2) Uani 0.515(8) 1 d PDU A 2
H2F_6 H 0.5045 0.6454 0.3473 0.040 Uiso 0.515(8) 1 calc PR A 2
C3_6 C 0.6601(7) 0.6673(11) 0.3569(4) 0.035(2) Uani 0.515(8) 1 d PDU A 2
H3F_6 H 0.6830 0.6187 0.3337 0.042 Uiso 0.515(8) 1 calc PR A 2
C4_6 C 0.7329(5) 0.7204(6) 0.3866(3) 0.0368(14) Uani 0.515(8) 1 d PDU A 2
H4F_6 H 0.8038 0.6998 0.3862 0.044 Uiso 0.515(8) 1 calc PR A 2
C5_6 C 0.7030(6) 0.7971(10) 0.4144(5) 0.036(2) Uani 0.515(8) 1 d PDU A 2
H5F_6 H 0.7531 0.8372 0.4314 0.043 Uiso 0.515(8) 1 calc PR A 2
C6_6 C 0.5983(6) 0.8204(10) 0.4191(4) 0.033(2) Uani 0.515(8) 1 d PDU A 2
H6F_6 H 0.5770 0.8700 0.4422 0.040 Uiso 0.515(8) 1 calc PR A 2
C1 C 0.1665(6) 0.5442(6) 0.3678(3) 0.0281(18) Uani 1 1 d . . .
C2 C 0.0628(6) 0.5693(6) 0.3717(3) 0.0270(18) Uani 1 1 d . A .
C4 C 0.0182(6) 0.3844(6) 0.3578(3) 0.0311(19) Uani 1 1 d . A .
H4G H -0.0326 0.3300 0.3540 0.037 Uiso 1 1 calc R . .
C5 C 0.1236(6) 0.3596(5) 0.3544(3) 0.0286(18) Uani 1 1 d . . .
H5G H 0.1448 0.2880 0.3488 0.034 Uiso 1 1 calc R A .
C6 C 0.1980(5) 0.4409(6) 0.3593(3) 0.0260(18) Uani 1 1 d . A .
C7 C 0.0289(5) 0.6837(6) 0.3797(3) 0.0248(17) Uani 1 1 d . . .
C3 C -0.0121(6) 0.4900(6) 0.3667(3) 0.0276(18) Uani 1 1 d . . .
H3G H -0.0835 0.5074 0.3694 0.033 Uiso 1 1 calc R A .
C8 C 0.0188(6) 0.7232(6) 0.4247(3) 0.0298(19) Uani 1 1 d . A .
C9 C -0.0032(5) 0.8308(6) 0.4313(2) 0.0288(17) Uani 1 1 d . . .
H9A H -0.0090 0.8576 0.4621 0.035 Uiso 1 1 calc R A .
C10 C -0.0171(6) 0.9003(6) 0.3940(3) 0.0312(19) Uani 1 1 d . A .
C11 C -0.0087(6) 0.8579(6) 0.3498(3) 0.034(2) Uani 1 1 d . . .
H11A H -0.0198 0.9040 0.3240 0.041 Uiso 1 1 calc R A .
C12 C 0.0147(6) 0.7527(6) 0.3412(3) 0.0301(19) Uani 1 1 d . A .
C13 C 0.0317(8) 0.6508(7) 0.4670(3) 0.053(3) Uani 1 1 d . . .
H13A H 0.0490 0.5773 0.4557 0.064 Uiso 1 1 calc R A .
C14 C -0.0684(8) 0.6440(7) 0.4951(3) 0.058(3) Uani 1 1 d . A .
H14A H -0.1246 0.6173 0.4751 0.088 Uiso 1 1 calc R . .
H14B H -0.0864 0.7152 0.5068 0.088 Uiso 1 1 calc R . .
H14C H -0.0582 0.5951 0.5214 0.088 Uiso 1 1 calc R . .
C15 C 0.1199(8) 0.6885(11) 0.4992(3) 0.092(5) Uani 1 1 d . A .
H15A H 0.1851 0.6897 0.4819 0.138 Uiso 1 1 calc R . .
H15B H 0.1265 0.6394 0.5257 0.138 Uiso 1 1 calc R . .
H15C H 0.1045 0.7606 0.5107 0.138 Uiso 1 1 calc R . .
C16 C -0.0354(7) 1.0181(6) 0.4031(3) 0.042(2) Uani 1 1 d . . .
H16A H -0.0766 1.0218 0.4325 0.051 Uiso 1 1 calc R A .
C17 C -0.0997(8) 1.0736(7) 0.3665(4) 0.060(3) Uani 1 1 d . A .
H17A H -0.1203 1.1443 0.3778 0.090 Uiso 1 1 calc R . .
H17B H -0.1618 1.0310 0.3596 0.090 Uiso 1 1 calc R . .
H17C H -0.0588 1.0817 0.3380 0.090 Uiso 1 1 calc R . .
C18 C 0.0605(9) 1.0789(8) 0.4123(5) 0.108(6) Uani 1 1 d . A .
H18A H 0.0435 1.1545 0.4170 0.163 Uiso 1 1 calc R . .
H18B H 0.1072 1.0717 0.3857 0.163 Uiso 1 1 calc R . .
H18C H 0.0946 1.0508 0.4404 0.163 Uiso 1 1 calc R . .
C19 C 0.0229(6) 0.7102(7) 0.2916(3) 0.037(2) Uani 1 1 d . . .
H19A H 0.0597 0.6399 0.2930 0.044 Uiso 1 1 calc R A .
C20 C -0.0834(9) 0.6909(11) 0.2710(4) 0.100(5) Uani 1 1 d . A .
H20A H -0.1193 0.6362 0.2893 0.150 Uiso 1 1 calc R . .
H20B H -0.0767 0.6666 0.2387 0.150 Uiso 1 1 calc R . .
H20C H -0.1234 0.7576 0.2717 0.150 Uiso 1 1 calc R . .
C21 C 0.0822(8) 0.7817(9) 0.2591(3) 0.064(3) Uani 1 1 d . A .
H21A H 0.1510 0.7963 0.2724 0.097 Uiso 1 1 calc R . .
H21B H 0.0445 0.8492 0.2550 0.097 Uiso 1 1 calc R . .
H21C H 0.0896 0.7462 0.2289 0.097 Uiso 1 1 calc R . .
C22 C 0.3123(7) 0.4149(6) 0.3552(3) 0.042(2) Uani 1 1 d . . .
C23 C 0.3690(6) 0.3917(6) 0.3966(4) 0.049(3) Uani 1 1 d . A .
C24 C 0.4742(8) 0.3807(7) 0.3930(5) 0.079(4) Uani 1 1 d . . .
H24A H 0.5130 0.3684 0.4208 0.095 Uiso 1 1 calc R A .
C25 C 0.5277(9) 0.3863(9) 0.3514(8) 0.122(8) Uani 1 1 d . A .
C26 C 0.4685(9) 0.4064(8) 0.3115(6) 0.088(5) Uani 1 1 d . . .
H26A H 0.5035 0.4112 0.2826 0.106 Uiso 1 1 calc R A .
C27 C 0.3620(7) 0.4196(7) 0.3113(4) 0.051(3) Uani 1 1 d . A .
C28 C 0.3151(8) 0.3800(7) 0.4433(4) 0.055(3) Uani 1 1 d . . .
H28A H 0.2413 0.4023 0.4387 0.066 Uiso 1 1 calc R A .
C29 C 0.3142(8) 0.2641(8) 0.4589(5) 0.079(4) Uani 1 1 d . A .
H29A H 0.2732 0.2216 0.4368 0.119 Uiso 1 1 calc R . .
H29B H 0.2833 0.2591 0.4899 0.119 Uiso 1 1 calc R . .
H29C H 0.3853 0.2368 0.4601 0.119 Uiso 1 1 calc R . .
C30 C 0.3627(11) 0.4550(9) 0.4805(4) 0.100(5) Uani 1 1 d . A .
H30A H 0.3571 0.5293 0.4699 0.150 Uiso 1 1 calc R . .
H30B H 0.4359 0.4368 0.4853 0.150 Uiso 1 1 calc R . .
H30C H 0.3254 0.4465 0.5099 0.150 Uiso 1 1 calc R . .
C31 C 0.3050(9) 0.4447(10) 0.2679(4) 0.075(4) Uani 1 1 d . . .
H31A H 0.2299 0.4314 0.2742 0.090 Uiso 1 1 calc R A .
C32 C 0.3341(12) 0.3752(10) 0.2273(5) 0.119(6) Uani 1 1 d . A .
H32A H 0.3512 0.3033 0.2385 0.179 Uiso 1 1 calc R . .
H32B H 0.3945 0.4059 0.2116 0.179 Uiso 1 1 calc R . .
H32C H 0.2757 0.3712 0.2053 0.179 Uiso 1 1 calc R . .
C33 C 0.3145(10) 0.5613(10) 0.2529(4) 0.089(4) Uani 1 1 d . A .
H33A H 0.2673 0.5749 0.2266 0.133 Uiso 1 1 calc R . .
H33B H 0.3860 0.5757 0.2433 0.133 Uiso 1 1 calc R . .
H33C H 0.2964 0.6080 0.2790 0.133 Uiso 1 1 calc R . .
C34 C 0.6456(8) 0.3742(8) 0.3525(5) 0.119(6) Uani 1 1 d D . .
H34A H 0.6786 0.4300 0.3326 0.143 Uiso 1 1 calc R A 1
C35 C 0.6649(9) 0.2549(9) 0.3305(5) 0.099(5) Uani 1 1 d D A .
H35A H 0.6225 0.2463 0.3022 0.148 Uiso 1 1 calc R . .
H35B H 0.6454 0.2004 0.3533 0.148 Uiso 1 1 calc R . .
H35C H 0.7383 0.2467 0.3226 0.148 Uiso 1 1 calc R . .
C36A C 0.6971(14) 0.3794(14) 0.4091(6) 0.046(5) Uani 0.509(14) 1 d PDU A 1
H36A H 0.6832 0.4497 0.4227 0.070 Uiso 0.509(14) 1 calc PR A 1
H36B H 0.7722 0.3675 0.4080 0.070 Uiso 0.509(14) 1 calc PR A 1
H36C H 0.6649 0.3238 0.4282 0.070 Uiso 0.509(14) 1 calc PR A 1
C36B C 0.6917(14) 0.4360(17) 0.3012(7) 0.067(7) Uani 0.491(14) 1 d PD A 2
H36D H 0.6898 0.5138 0.3049 0.100 Uiso 0.491(14) 1 calc PR A 2
H36E H 0.6478 0.4151 0.2747 0.100 Uiso 0.491(14) 1 calc PR A 2
H36F H 0.7632 0.4131 0.2955 0.100 Uiso 0.491(14) 1 calc PR A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.088(7) . ?
Au1 P1 2.2910(19) . ?
P1 C1_1 1.792(7) . ?
P1 C1_5 1.815(6) . ?
P1 C1_3 1.837(7) . ?
C1_1 C6_1 1.373(8) . ?
C1_1 C2_1 1.395(8) . ?
C2_1 C3_1 1.392(9) . ?
C2_1 H2A_1 0.9500 . ?
C3_1 C4_1 1.429(8) . ?
C3_1 H3A_1 0.9500 . ?
C4_1 C5_1 1.303(8) . ?
C4_1 H4A_1 0.9500 . ?
C5_1 C6_1 1.387(9) . ?
C5_1 H5A_1 0.9500 . ?
C6_1 H6A_1 0.9500 . ?
C2_2 C3_2 1.391(9) . ?
C2_2 H2B_2 0.9500 . ?
C3_2 H3B_2 0.9500 . ?
C5_2 C6_2 1.388(9) . ?
C5_2 H5B_2 0.9500 . ?
C6_2 H6B_2 0.9500 . ?
C1_3 C6_3 1.371(8) . ?
C1_3 C2_3 1.390(8) . ?
C2_3 C3_3 1.391(9) . ?
C2_3 H2C_3 0.9500 . ?
C3_3 C4_3 1.429(8) . ?
C3_3 H3C_3 0.9500 . ?
C4_3 C5_3 1.310(8) . ?
C4_3 H4C_3 0.9500 . ?
C5_3 C6_3 1.389(9) . ?
C5_3 H5C_3 0.9500 . ?
C6_3 H6C_3 0.9500 . ?
C2_4 C3_4 1.391(9) . ?
C2_4 H2D_4 0.9500 . ?
C3_4 H3D_4 0.9500 . ?
C5_4 C6_4 1.390(9) . ?
C5_4 H5D_4 0.9500 . ?
C6_4 H6D_4 0.9500 . ?
C1_5 C6_5 1.374(8) . ?
C1_5 C2_5 1.392(8) . ?
C2_5 C3_5 1.391(9) . ?
C2_5 H2E_5 0.9500 . ?
C3_5 C4_5 1.426(8) . ?
C3_5 H3E_5 0.9500 . ?
C4_5 C5_5 1.308(8) . ?
C4_5 H4E_5 0.9500 . ?
C5_5 C6_5 1.390(9) . ?
C5_5 H5E_5 0.9500 . ?
C6_5 H6E_5 0.9500 . ?
C2_6 C3_6 1.391(9) . ?
C2_6 H2F_6 0.9500 . ?
C3_6 H3F_6 0.9500 . ?
C5_6 C6_6 1.389(9) . ?
C5_6 H5F_6 0.9500 . ?
C6_6 H6F_6 0.9500 . ?
C1 C6 1.377(10) . ?
C1 C2 1.378(10) . ?
C2 C3 1.391(10) . ?
C2 C7 1.515(10) . ?
C4 C5 1.399(10) . ?
C4 C3 1.402(11) . ?
C4 H4G 0.9500 . ?
C5 C6 1.404(10) . ?
C5 H5G 0.9500 . ?
C6 C22 1.515(11) . ?
C7 C8 1.388(10) . ?
C7 C12 1.413(10) . ?
C3 H3G 0.9500 . ?
C8 C9 1.389(11) . ?
C8 C13 1.523(11) . ?
C9 C10 1.388(10) . ?
C9 H9A 0.9500 . ?
C10 C11 1.379(11) . ?
C10 C16 1.515(11) . ?
C11 C12 1.373(11) . ?
C11 H11A 0.9500 . ?
C12 C19 1.523(11) . ?
C13 C14 1.529(13) . ?
C13 C15 1.535(14) . ?
C13 H13A 1.0000 . ?
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 C18 1.475(13) . ?
C16 C17 1.505(12) . ?
C16 H16A 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.505(12) . ?
C19 C20 1.509(12) . ?
C19 H19A 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.419(13) . ?
C22 C27 1.420(13) . ?
C23 C24 1.369(13) . ?
C23 C28 1.522(15) . ?
C24 C25 1.39(2) . ?
C24 H24A 0.9500 . ?
C25 C26 1.39(2) . ?
C25 C34 1.528(14) . ?
C26 C27 1.383(14) . ?
C26 H26A 0.9500 . ?
C27 C31 1.476(15) . ?
C28 C29 1.516(12) . ?
C28 C30 1.545(13) . ?
C28 H28A 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.504(14) . ?
C31 C33 1.525(15) . ?
C31 H31A 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.641(12) . ?
C34 C36A 1.751(14) . ?
C34 C36B 1.772(15) . ?
C34 H34A 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36A H36A 0.9800 . ?
C36A H36B 0.9800 . ?
C36A H36C 0.9800 . ?
C36B H36D 0.9800 . ?
C36B H36E 0.9800 . ?
C36B H36F 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
C1 Au1 P1 176.6(2) . . ?
C1_1 P1 C1_5 107.0(4) . . ?
C1_1 P1 C1_3 102.5(4) . . ?
C1_5 P1 C1_3 104.5(3) . . ?
C1_1 P1 Au1 114.6(3) . . ?
C1_5 P1 Au1 116.6(2) . . ?
C1_3 P1 Au1 110.3(3) . . ?
C6_1 C1_1 C2_1 118.5(6) . . ?
C6_1 C1_1 P1 121.9(7) . . ?
C2_1 C1_1 P1 119.4(6) . . ?
C3_1 C2_1 C1_1 119.7(7) . . ?
C3_1 C2_1 H2A_1 120.2 . . ?
C1_1 C2_1 H2A_1 120.2 . . ?
C2_1 C3_1 C4_1 118.6(7) . . ?
C2_1 C3_1 H3A_1 120.7 . . ?
C4_1 C3_1 H3A_1 120.7 . . ?
C5_1 C4_1 C3_1 121.2(7) . . ?
C5_1 C4_1 H4A_1 119.4 . . ?
C3_1 C4_1 H4A_1 119.4 . . ?
C4_1 C5_1 C6_1 120.1(8) . . ?
C4_1 C5_1 H5A_1 119.9 . . ?
C6_1 C5_1 H5A_1 119.9 . . ?
C1_1 C6_1 C5_1 121.9(7) . . ?
C1_1 C6_1 H6A_1 119.1 . . ?
C5_1 C6_1 H6A_1 119.1 . . ?
C3_2 C2_2 H2B_2 120.2 . . ?
C2_2 C3_2 H3B_2 120.6 . . ?
C6_2 C5_2 H5B_2 119.7 . . ?
C5_2 C6_2 H6B_2 119.2 . . ?
C6_3 C1_3 C2_3 119.0(6) . . ?
C6_3 C1_3 P1 124.9(6) . . ?
C2_3 C1_3 P1 116.0(6) . . ?
C1_3 C2_3 C3_3 119.5(7) . . ?
C1_3 C2_3 H2C_3 120.3 . . ?
C3_3 C2_3 H2C_3 120.3 . . ?
C2_3 C3_3 C4_3 119.0(7) . . ?
C2_3 C3_3 H3C_3 120.5 . . ?
C4_3 C3_3 H3C_3 120.5 . . ?
C5_3 C4_3 C3_3 119.7(7) . . ?
C5_3 C4_3 H4C_3 120.2 . . ?
C3_3 C4_3 H4C_3 120.2 . . ?
C4_3 C5_3 C6_3 121.3(7) . . ?
C4_3 C5_3 H5C_3 119.3 . . ?
C6_3 C5_3 H5C_3 119.3 . . ?
C1_3 C6_3 C5_3 120.6(7) . . ?
C1_3 C6_3 H6C_3 119.7 . . ?
C5_3 C6_3 H6C_3 119.7 . . ?
C3_4 C2_4 H2D_4 119.7 . . ?
C2_4 C3_4 H3D_4 120.9 . . ?
C6_4 C5_4 H5D_4 120.2 . . ?
C5_4 C6_4 H6D_4 119.0 . . ?
C6_5 C1_5 C2_5 118.3(6) . . ?
C6_5 C1_5 P1 123.8(5) . . ?
C2_5 C1_5 P1 117.7(5) . . ?
C3_5 C2_5 C1_5 119.7(7) . . ?
C3_5 C2_5 H2E_5 120.2 . . ?
C1_5 C2_5 H2E_5 120.2 . . ?
C2_5 C3_5 C4_5 118.2(7) . . ?
C2_5 C3_5 H3E_5 120.9 . . ?
C4_5 C3_5 H3E_5 120.9 . . ?
C5_5 C4_5 C3_5 120.5(6) . . ?
C5_5 C4_5 H4E_5 119.7 . . ?
C3_5 C4_5 H4E_5 119.7 . . ?
C4_5 C5_5 C6_5 120.2(7) . . ?
C4_5 C5_5 H5E_5 119.9 . . ?
C6_5 C5_5 H5E_5 119.9 . . ?
C1_5 C6_5 C5_5 121.0(7) . . ?
C1_5 C6_5 H6E_5 119.5 . . ?
C5_5 C6_5 H6E_5 119.5 . . ?
C3_6 C2_6 H2F_6 120.3 . . ?
C2_6 C3_6 H3F_6 120.7 . . ?
C6_6 C5_6 H5F_6 119.8 . . ?
C5_6 C6_6 H6F_6 119.4 . . ?
C6 C1 C2 121.0(7) . . ?
C6 C1 Au1 120.7(6) . . ?
C2 C1 Au1 118.2(5) . . ?
C1 C2 C3 120.2(7) . . ?
C1 C2 C7 120.6(7) . . ?
C3 C2 C7 119.2(6) . . ?
C5 C4 C3 119.6(7) . . ?
C5 C4 H4G 120.2 . . ?
C3 C4 H4G 120.2 . . ?
C4 C5 C6 119.7(7) . . ?
C4 C5 H5G 120.1 . . ?
C6 C5 H5G 120.1 . . ?
C1 C6 C5 119.6(7) . . ?
C1 C6 C22 120.3(7) . . ?
C5 C6 C22 120.1(7) . . ?
C8 C7 C12 119.9(7) . . ?
C8 C7 C2 120.5(6) . . ?
C12 C7 C2 119.5(7) . . ?
C2 C3 C4 119.7(7) . . ?
C2 C3 H3G 120.1 . . ?
C4 C3 H3G 120.1 . . ?
C7 C8 C9 119.4(7) . . ?
C7 C8 C13 121.3(7) . . ?
C9 C8 C13 119.2(7) . . ?
C8 C9 C10 121.8(7) . . ?
C8 C9 H9A 119.1 . . ?
C10 C9 H9A 119.1 . . ?
C11 C10 C9 117.2(7) . . ?
C11 C10 C16 123.1(7) . . ?
C9 C10 C16 119.6(8) . . ?
C12 C11 C10 123.5(7) . . ?
C12 C11 H11A 118.2 . . ?
C10 C11 H11A 118.2 . . ?
C11 C12 C7 118.1(7) . . ?
C11 C12 C19 121.3(7) . . ?
C7 C12 C19 120.6(7) . . ?
C8 C13 C14 111.5(7) . . ?
C8 C13 C15 111.9(8) . . ?
C14 C13 C15 108.9(7) . . ?
C8 C13 H13A 108.1 . . ?
C14 C13 H13A 108.1 . . ?
C15 C13 H13A 108.1 . . ?
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 . . ?
C18 C16 C17 110.1(8) . . ?
C18 C16 C10 113.6(8) . . ?
C17 C16 C10 114.5(7) . . ?
C18 C16 H16A 106.0 . . ?
C17 C16 H16A 106.0 . . ?
C10 C16 H16A 106.0 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C20 108.5(8) . . ?
C21 C19 C12 114.3(7) . . ?
C20 C19 C12 110.6(7) . . ?
C21 C19 H19A 107.7 . . ?
C20 C19 H19A 107.7 . . ?
C12 C19 H19A 107.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C27 121.2(9) . . ?
C23 C22 C6 118.4(8) . . ?
C27 C22 C6 120.4(8) . . ?
C24 C23 C22 117.6(11) . . ?
C24 C23 C28 121.0(10) . . ?
C22 C23 C28 121.4(8) . . ?
C23 C24 C25 124.0(13) . . ?
C23 C24 H24A 118.0 . . ?
C25 C24 H24A 118.0 . . ?
C24 C25 C26 116.4(11) . . ?
C24 C25 C34 118.5(17) . . ?
C26 C25 C34 125.1(17) . . ?
C27 C26 C25 124.2(13) . . ?
C27 C26 H26A 117.9 . . ?
C25 C26 H26A 117.9 . . ?
C26 C27 C22 116.6(11) . . ?
C26 C27 C31 121.1(10) . . ?
C22 C27 C31 122.2(8) . . ?
C29 C28 C23 110.9(9) . . ?
C29 C28 C30 112.4(9) . . ?
C23 C28 C30 111.6(9) . . ?
C29 C28 H28A 107.2 . . ?
C23 C28 H28A 107.2 . . ?
C30 C28 H28A 107.2 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C27 C31 C32 113.9(11) . . ?
C27 C31 C33 113.7(9) . . ?
C32 C31 C33 108.1(10) . . ?
C27 C31 H31A 106.9 . . ?
C32 C31 H31A 106.9 . . ?
C33 C31 H31A 106.9 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C25 C34 C35 103.6(8) . . ?
C25 C34 C36A 112.8(13) . . ?
C35 C34 C36A 109.5(10) . . ?
C25 C34 C36B 106.2(13) . . ?
C35 C34 C36B 91.3(11) . . ?
C36A C34 C36B 128.9(11) . . ?
C25 C34 H34A 110.2 . . ?
C35 C34 H34A 110.2 . . ?
C36A C34 H34A 110.2 . . ?
C36B C34 H34A 21.8 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36A H36A 109.5 . . ?
C34 C36A H36B 109.5 . . ?
C34 C36A H36C 109.5 . . ?
C34 C36B H36D 109.5 . . ?
C34 C36B H36E 109.5 . . ?
H36D C36B H36E 109.5 . . ?
C34 C36B H36F 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 109.5 . . ?

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
C1 Au1 P1 C1_1 -85(4) . . . . ?
C1 Au1 P1 C1_5 148(4) . . . . ?
C1 Au1 P1 C1_3 30(4) . . . . ?
C1_5 P1 C1_1 C6_1 -88.8(8) . . . . ?
C1_3 P1 C1_1 C6_1 20.8(9) . . . . ?
Au1 P1 C1_1 C6_1 140.3(8) . . . . ?
C1_5 P1 C1_1 C2_1 95.6(8) . . . . ?
C1_3 P1 C1_1 C2_1 -154.8(8) . . . . ?
Au1 P1 C1_1 C2_1 -35.3(8) . . . . ?
C6_1 C1_1 C2_1 C3_1 -0.16(15) . . . . ?
P1 C1_1 C2_1 C3_1 175.5(6) . . . . ?
C1_1 C2_1 C3_1 C4_1 -0.33(14) . . . . ?
C2_1 C3_1 C4_1 C5_1 0.9(3) . . . . ?
C3_1 C4_1 C5_1 C6_1 -0.9(5) . . . . ?
C2_1 C1_1 C6_1 C5_1 0.1(3) . . . . ?
P1 C1_1 C6_1 C5_1 -175.4(6) . . . . ?
C4_1 C5_1 C6_1 C1_1 0.4(5) . . . . ?
C1_1 P1 C1_3 C6_3 -110.5(11) . . . . ?
C1_5 P1 C1_3 C6_3 1.0(12) . . . . ?
Au1 P1 C1_3 C6_3 127.0(11) . . . . ?
C1_1 P1 C1_3 C2_3 65.3(11) . . . . ?
C1_5 P1 C1_3 C2_3 176.8(11) . . . . ?
Au1 P1 C1_3 C2_3 -57.2(11) . . . . ?
C6_3 C1_3 C2_3 C3_3 -8(2) . . . . ?
P1 C1_3 C2_3 C3_3 176.2(15) . . . . ?
C1_3 C2_3 C3_3 C4_3 0(3) . . . . ?
C2_3 C3_3 C4_3 C5_3 7(3) . . . . ?
C3_3 C4_3 C5_3 C6_3 -6(3) . . . . ?
C2_3 C1_3 C6_3 C5_3 9(2) . . . . ?
P1 C1_3 C6_3 C5_3 -174.9(13) . . . . ?
C4_3 C5_3 C6_3 C1_3 -3(3) . . . . ?
C1_1 P1 C1_5 C6_5 31.2(11) . . . . ?
C1_3 P1 C1_5 C6_5 -77.1(10) . . . . ?
Au1 P1 C1_5 C6_5 161.0(9) . . . . ?
C1_1 P1 C1_5 C2_5 -142.8(10) . . . . ?
C1_3 P1 C1_5 C2_5 108.9(10) . . . . ?
Au1 P1 C1_5 C2_5 -13.0(10) . . . . ?
C6_5 C1_5 C2_5 C3_5 12(2) . . . . ?
P1 C1_5 C2_5 C3_5 -173.8(12) . . . . ?
C1_5 C2_5 C3_5 C4_5 -12(2) . . . . ?
C2_5 C3_5 C4_5 C5_5 12(2) . . . . ?
C3_5 C4_5 C5_5 C6_5 -12(2) . . . . ?
C2_5 C1_5 C6_5 C5_5 -11(2) . . . . ?
P1 C1_5 C6_5 C5_5 174.6(12) . . . . ?
C4_5 C5_5 C6_5 C1_5 12(2) . . . . ?
P1 Au1 C1 C6 -146(3) . . . . ?
P1 Au1 C1 C2 30(4) . . . . ?
C6 C1 C2 C3 -0.4(12) . . . . ?
Au1 C1 C2 C3 -177.1(5) . . . . ?
C6 C1 C2 C7 -178.3(7) . . . . ?
Au1 C1 C2 C7 4.9(10) . . . . ?
C3 C4 C5 C6 -1.0(11) . . . . ?
C2 C1 C6 C5 0.0(12) . . . . ?
Au1 C1 C6 C5 176.7(5) . . . . ?
C2 C1 C6 C22 -179.9(7) . . . . ?
Au1 C1 C6 C22 -3.2(11) . . . . ?
C4 C5 C6 C1 0.6(11) . . . . ?
C4 C5 C6 C22 -179.4(7) . . . . ?
C1 C2 C7 C8 -89.7(9) . . . . ?
C3 C2 C7 C8 92.4(9) . . . . ?
C1 C2 C7 C12 85.9(9) . . . . ?
C3 C2 C7 C12 -92.1(9) . . . . ?
C1 C2 C3 C4 0.0(11) . . . . ?
C7 C2 C3 C4 178.0(7) . . . . ?
C5 C4 C3 C2 0.6(11) . . . . ?
C12 C7 C8 C9 -1.3(11) . . . . ?
C2 C7 C8 C9 174.2(7) . . . . ?
C12 C7 C8 C13 178.9(7) . . . . ?
C2 C7 C8 C13 -5.7(11) . . . . ?
C7 C8 C9 C10 1.0(11) . . . . ?
C13 C8 C9 C10 -179.2(7) . . . . ?
C8 C9 C10 C11 0.4(11) . . . . ?
C8 C9 C10 C16 -176.8(7) . . . . ?
C9 C10 C11 C12 -1.6(12) . . . . ?
C16 C10 C11 C12 175.6(8) . . . . ?
C10 C11 C12 C7 1.3(12) . . . . ?
C10 C11 C12 C19 -180.0(7) . . . . ?
C8 C7 C12 C11 0.2(11) . . . . ?
C2 C7 C12 C11 -175.4(7) . . . . ?
C8 C7 C12 C19 -178.5(7) . . . . ?
C2 C7 C12 C19 5.9(10) . . . . ?
C7 C8 C13 C14 -117.3(8) . . . . ?
C9 C8 C13 C14 62.8(10) . . . . ?
C7 C8 C13 C15 120.4(9) . . . . ?
C9 C8 C13 C15 -59.5(10) . . . . ?
C11 C10 C16 C18 -95.5(11) . . . . ?
C9 C10 C16 C18 81.6(11) . . . . ?
C11 C10 C16 C17 32.2(12) . . . . ?
C9 C10 C16 C17 -150.7(8) . . . . ?
C11 C12 C19 C21 44.3(11) . . . . ?
C7 C12 C19 C21 -137.1(8) . . . . ?
C11 C12 C19 C20 -78.5(11) . . . . ?
C7 C12 C19 C20 100.2(10) . . . . ?
C1 C6 C22 C23 86.5(10) . . . . ?
C5 C6 C22 C23 -93.4(9) . . . . ?
C1 C6 C22 C27 -90.0(10) . . . . ?
C5 C6 C22 C27 90.1(10) . . . . ?
C27 C22 C23 C24 3.9(12) . . . . ?
C6 C22 C23 C24 -172.6(7) . . . . ?
C27 C22 C23 C28 -176.3(8) . . . . ?
C6 C22 C23 C28 7.2(12) . . . . ?
C22 C23 C24 C25 -2.8(14) . . . . ?
C28 C23 C24 C25 177.4(9) . . . . ?
C23 C24 C25 C26 1.1(17) . . . . ?
C23 C24 C25 C34 179.1(9) . . . . ?
C24 C25 C26 C27 -0.6(17) . . . . ?
C34 C25 C26 C27 -178.4(9) . . . . ?
C25 C26 C27 C22 1.7(15) . . . . ?
C25 C26 C27 C31 177.6(10) . . . . ?
C23 C22 C27 C26 -3.4(12) . . . . ?
C6 C22 C27 C26 173.0(8) . . . . ?
C23 C22 C27 C31 -179.2(9) . . . . ?
C6 C22 C27 C31 -2.8(13) . . . . ?
C24 C23 C28 C29 -72.0(11) . . . . ?
C22 C23 C28 C29 108.3(9) . . . . ?
C24 C23 C28 C30 54.2(11) . . . . ?
C22 C23 C28 C30 -125.6(9) . . . . ?
C26 C27 C31 C32 47.4(14) . . . . ?
C22 C27 C31 C32 -136.9(9) . . . . ?
C26 C27 C31 C33 -77.1(12) . . . . ?
C22 C27 C31 C33 98.5(11) . . . . ?
C24 C25 C34 C35 107.2(12) . . . . ?
C26 C25 C34 C35 -75.0(14) . . . . ?
C24 C25 C34 C36A -11.2(15) . . . . ?
C26 C25 C34 C36A 166.6(11) . . . . ?
C24 C25 C34 C36B -157.4(12) . . . . ?
C26 C25 C34 C36B 20.3(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        60.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.523
_refine_diff_density_min         -1.226
_refine_diff_density_rms         0.127
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_pna21
_database_code_depnum_ccdc_archive 'CCDC 1410647'
_audit_update_record             
;
2015-07-03 deposited with the CCDC.
2015-08-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C118 H192 Au2 O P2'
_chemical_formula_weight         2082.59

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pna2(1)

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   47.793(3)
_cell_length_b                   13.1566(9)
_cell_length_c                   17.5594(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     11041.3(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9717
_cell_measurement_theta_min      3.83
_cell_measurement_theta_max      62.37

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4384
_exptl_absorpt_coefficient_mu    5.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4361
_exptl_absorpt_correction_T_max  0.8975
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'BRUKER GADDS D8 Discover'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            248826
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         60.00
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_reflns_number_total             16224
_reflns_number_gt                15524
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'FRAMBO (BRUKER-NONIUS, 2003)'
_computing_cell_refinement       
; 
  CELL-NOW (Sheldrick, 2003) and SAINT (BRUKER-NONIUS, 2003) 
;
_computing_data_reduction        'Bruker APEX2'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_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 w=1/[σ²(Fo²)+(0.0207P)²+28.0156P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(5)
_refine_ls_number_reflns         16224
_refine_ls_number_parameters     1108
_refine_ls_number_restraints     349
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0664
_refine_ls_wR_factor_gt          0.0658
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.005
_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 0.670585(4) -0.131784(17) 0.953567(14) 0.02567(6) Uani 1 1 d . . .
Au2 Au 0.967363(4) 0.240415(14) 0.998967(15) 0.01792(5) Uani 1 1 d . . .
P1 P 0.71511(3) -0.07060(12) 0.96234(11) 0.0354(4) Uani 1 1 d . . .
P2 P 0.93224(3) 0.14719(10) 0.94606(9) 0.0202(3) Uani 1 1 d . . .
C1 C 0.72428(16) -0.0321(5) 1.0592(4) 0.0457(17) Uani 1 1 d DU . .
H1A H 0.7440 -0.0088 1.0596 0.055 Uiso 1 1 calc R . .
H1B H 0.7124 0.0264 1.0739 0.055 Uiso 1 1 calc R . .
C2 C 0.72080(18) -0.1163(5) 1.1189(4) 0.0561(18) Uani 1 1 d DU . .
H2A H 0.7325 -0.1754 1.1046 0.067 Uiso 1 1 calc R . .
H2B H 0.7010 -0.1386 1.1202 0.067 Uiso 1 1 calc R . .
C3 C 0.72959(19) -0.0777(7) 1.1990(4) 0.080(2) Uani 1 1 d DU . .
H3A H 0.7175 -0.0194 1.2124 0.096 Uiso 1 1 calc R . .
H3B H 0.7257 -0.1324 1.2362 0.096 Uiso 1 1 calc R . .
C4 C 0.76051(17) -0.0441(7) 1.2087(5) 0.076(2) Uani 1 1 d DU . .
H4A H 0.7627 0.0232 1.1841 0.091 Uiso 1 1 calc R . .
H4B H 0.7641 -0.0346 1.2638 0.091 Uiso 1 1 calc R . .
C5 C 0.78296(17) -0.1131(7) 1.1778(6) 0.083(2) Uani 1 1 d DU . .
H5A H 0.7791 -0.1247 1.1231 0.100 Uiso 1 1 calc R . .
H5B H 0.7814 -0.1796 1.2038 0.100 Uiso 1 1 calc R . .
C6 C 0.81383(17) -0.0754(7) 1.1859(5) 0.079(2) Uani 1 1 d DU . .
H6A H 0.8260 -0.1184 1.1534 0.095 Uiso 1 1 calc R . .
H6B H 0.8150 -0.0050 1.1662 0.095 Uiso 1 1 calc R . .
C7 C 0.82480(15) -0.0770(7) 1.2635(5) 0.071(2) Uani 1 1 d DU . .
H7A H 0.8262 -0.1484 1.2811 0.085 Uiso 1 1 calc R . .
H7B H 0.8116 -0.0411 1.2976 0.085 Uiso 1 1 calc R . .
C8 C 0.85309(14) -0.0279(6) 1.2695(5) 0.063(2) Uani 1 1 d DU . .
H8A H 0.8583 -0.0233 1.3240 0.076 Uiso 1 1 calc R . .
H8B H 0.8518 0.0422 1.2495 0.076 Uiso 1 1 calc R . .
C9 C 0.87612(12) -0.0830(5) 1.2274(4) 0.0412(15) Uani 1 1 d DU . .
H9A H 0.8714 -0.0854 1.1726 0.049 Uiso 1 1 calc R . .
H9B H 0.8772 -0.1539 1.2462 0.049 Uiso 1 1 calc R . .
C10 C 0.90478(12) -0.0323(5) 1.2373(3) 0.0347(14) Uani 1 1 d DU . .
H10A H 0.9039 0.0384 1.2181 0.042 Uiso 1 1 calc R . .
H10B H 0.9096 -0.0297 1.2921 0.042 Uiso 1 1 calc R . .
C11 C 0.92748(12) -0.0900(5) 1.1945(3) 0.0323(13) Uani 1 1 d DU . .
H11A H 0.9270 -0.1621 1.2109 0.039 Uiso 1 1 calc R . .
H11B H 0.9459 -0.0619 1.2091 0.039 Uiso 1 1 calc R . .
C12 C 0.92474(12) -0.0859(4) 1.1079(3) 0.0274(12) Uani 1 1 d DU . .
H12A H 0.9060 -0.1116 1.0935 0.033 Uiso 1 1 calc R . .
H12B H 0.9388 -0.1321 1.0853 0.033 Uiso 1 1 calc R . .
C13 C 0.92864(13) 0.0202(4) 1.0740(3) 0.0264(12) Uani 1 1 d DU . .
H13A H 0.9137 0.0655 1.0935 0.032 Uiso 1 1 calc R . .
H13B H 0.9468 0.0481 1.0911 0.032 Uiso 1 1 calc R . .
C14 C 0.92779(11) 0.0204(4) 0.9876(3) 0.0246(12) Uani 1 1 d DU . .
H14A H 0.9096 -0.0079 0.9706 0.030 Uiso 1 1 calc R . .
H14B H 0.9428 -0.0247 0.9682 0.030 Uiso 1 1 calc R . .
C15 C 0.72193(12) 0.0456(5) 0.9089(4) 0.0401(16) Uani 1 1 d DU . .
H15A H 0.7399 0.0752 0.9260 0.048 Uiso 1 1 calc R . .
H15B H 0.7237 0.0288 0.8541 0.048 Uiso 1 1 calc R . .
C16 C 0.69863(12) 0.1241(5) 0.9192(5) 0.0499(17) Uani 1 1 d DU . .
H16A H 0.6824 0.1050 0.8871 0.060 Uiso 1 1 calc R . .
H16B H 0.6924 0.1239 0.9730 0.060 Uiso 1 1 calc R . .
C17 C 0.70826(15) 0.2300(5) 0.8978(4) 0.0523(17) Uani 1 1 d DU . .
H17A H 0.6917 0.2730 0.8874 0.063 Uiso 1 1 calc R . .
H17B H 0.7195 0.2264 0.8506 0.063 Uiso 1 1 calc R . .
C18 C 0.72585(14) 0.2797(5) 0.9612(5) 0.0575(17) Uani 1 1 d DU . .
H18A H 0.7138 0.2928 1.0059 0.069 Uiso 1 1 calc R . .
H18B H 0.7408 0.2321 0.9771 0.069 Uiso 1 1 calc R . .
C19 C 0.73901(15) 0.3785(5) 0.9357(4) 0.059(2) Uani 1 1 d DU . .
H19A H 0.7518 0.3646 0.8926 0.070 Uiso 1 1 calc R . .
H19B H 0.7241 0.4246 0.9172 0.070 Uiso 1 1 calc R . .
C20 C 0.75516(17) 0.4310(5) 0.9983(6) 0.079(2) Uani 1 1 d DU . .
H20A H 0.7707 0.3861 1.0142 0.095 Uiso 1 1 calc R . .
H20B H 0.7426 0.4396 1.0427 0.095 Uiso 1 1 calc R . .
C21 C 0.76740(17) 0.5353(6) 0.9775(6) 0.093(3) Uani 1 1 d DU . .
H21A H 0.7518 0.5818 0.9643 0.112 Uiso 1 1 calc R . .
H21B H 0.7769 0.5636 1.0228 0.112 Uiso 1 1 calc R . .
C22 C 0.78773(18) 0.5331(7) 0.9125(7) 0.110(3) Uani 1 1 d DU . .
H22A H 0.7956 0.6011 0.9014 0.132 Uiso 1 1 calc R . .
H22B H 0.7794 0.5040 0.8657 0.132 Uiso 1 1 calc R . .
C23 C 0.8100(2) 0.4594(8) 0.9502(9) 0.141(3) Uani 1 1 d DU . .
H23A H 0.8160 0.4848 1.0007 0.169 Uiso 1 1 calc R . .
H23B H 0.8024 0.3898 0.9559 0.169 Uiso 1 1 calc R . .
C24 C 0.8326(2) 0.4617(9) 0.8968(8) 0.132(3) Uani 1 1 d DU . .
H24A H 0.8426 0.5270 0.9031 0.158 Uiso 1 1 calc R . .
H24B H 0.8245 0.4610 0.8449 0.158 Uiso 1 1 calc R . .
C25 C 0.85414(19) 0.3750(8) 0.9024(6) 0.103(3) Uani 1 1 d DU . .
H25A H 0.8441 0.3102 0.9111 0.123 Uiso 1 1 calc R . .
H25B H 0.8642 0.3694 0.8533 0.123 Uiso 1 1 calc R . .
C26 C 0.87480(15) 0.3897(6) 0.9640(6) 0.077(2) Uani 1 1 d DU . .
H26A H 0.8665 0.3692 1.0133 0.093 Uiso 1 1 calc R . .
H26B H 0.8800 0.4624 0.9673 0.093 Uiso 1 1 calc R . .
C27 C 0.90088(13) 0.3254(4) 0.9474(5) 0.0540(17) Uani 1 1 d DU . .
H27A H 0.9066 0.3384 0.8941 0.065 Uiso 1 1 calc R . .
H27B H 0.9162 0.3502 0.9806 0.065 Uiso 1 1 calc R . .
C28 C 0.89861(11) 0.2108(4) 0.9581(4) 0.0323(12) Uani 1 1 d DU . .
H28A H 0.8851 0.1831 0.9207 0.039 Uiso 1 1 calc R . .
H28B H 0.8913 0.1963 1.0098 0.039 Uiso 1 1 calc R . .
C29 C 0.74373(13) -0.1556(5) 0.9374(5) 0.0549(19) Uani 1 1 d DU . .
H29A H 0.7611 -0.1145 0.9367 0.066 Uiso 1 1 calc R . .
H29B H 0.7457 -0.2052 0.9795 0.066 Uiso 1 1 calc R . .
C30 C 0.74287(17) -0.2167(6) 0.8624(4) 0.0634(19) Uani 1 1 d DU . .
H30A H 0.7591 -0.2632 0.8615 0.076 Uiso 1 1 calc R . .
H30B H 0.7258 -0.2592 0.8625 0.076 Uiso 1 1 calc R . .
C31 C 0.7432(2) -0.1551(6) 0.7905(5) 0.076(2) Uani 1 1 d DU . .
H31A H 0.7580 -0.1029 0.7944 0.091 Uiso 1 1 calc R . .
H31B H 0.7250 -0.1193 0.7855 0.091 Uiso 1 1 calc R . .
C32 C 0.74818(19) -0.2186(7) 0.7183(5) 0.089(2) Uani 1 1 d DU . .
H32A H 0.7325 -0.2676 0.7152 0.107 Uiso 1 1 calc R . .
H32B H 0.7460 -0.1716 0.6747 0.107 Uiso 1 1 calc R . .
C33 C 0.77453(18) -0.2786(7) 0.7036(8) 0.101(3) Uani 1 1 d DU . .
H33A H 0.7782 -0.3241 0.7473 0.121 Uiso 1 1 calc R . .
H33B H 0.7720 -0.3213 0.6577 0.121 Uiso 1 1 calc R . .
C34 C 0.79831(17) -0.2109(7) 0.6925(7) 0.101(3) Uani 1 1 d DU . .
H34A H 0.8014 -0.1741 0.7409 0.121 Uiso 1 1 calc R . .
H34B H 0.7929 -0.1597 0.6540 0.121 Uiso 1 1 calc R . .
C35 C 0.82707(15) -0.2571(6) 0.6672(5) 0.076(2) Uani 1 1 d DU . .
H35A H 0.8302 -0.3239 0.6918 0.091 Uiso 1 1 calc R . .
H35B H 0.8276 -0.2664 0.6113 0.091 Uiso 1 1 calc R . .
C36 C 0.84948(12) -0.1805(5) 0.6925(4) 0.0459(16) Uani 1 1 d DU . .
H36A H 0.8436 -0.1117 0.6764 0.055 Uiso 1 1 calc R . .
H36B H 0.8504 -0.1806 0.7489 0.055 Uiso 1 1 calc R . .
C37 C 0.87881(11) -0.2003(5) 0.6616(3) 0.0322(13) Uani 1 1 d DU . .
H37A H 0.8839 -0.2720 0.6717 0.039 Uiso 1 1 calc R . .
H37B H 0.8787 -0.1902 0.6057 0.039 Uiso 1 1 calc R . .
C38 C 0.90080(12) -0.1309(4) 0.6970(3) 0.0296(13) Uani 1 1 d DU . .
H38A H 0.9005 -0.1403 0.7529 0.036 Uiso 1 1 calc R . .
H38B H 0.9195 -0.1523 0.6786 0.036 Uiso 1 1 calc R . .
C39 C 0.89704(13) -0.0186(4) 0.6797(3) 0.0287(13) Uani 1 1 d DU . .
H39A H 0.8781 0.0026 0.6959 0.034 Uiso 1 1 calc R . .
H39B H 0.8984 -0.0080 0.6240 0.034 Uiso 1 1 calc R . .
C40 C 0.91860(11) 0.0484(4) 0.7194(3) 0.0238(12) Uani 1 1 d DU . .
H40A H 0.9182 0.1168 0.6960 0.029 Uiso 1 1 calc R . .
H40B H 0.9375 0.0194 0.7108 0.029 Uiso 1 1 calc R . .
C41 C 0.91378(12) 0.0590(4) 0.8051(3) 0.0261(12) Uani 1 1 d DU . .
H41A H 0.9141 -0.0094 0.8287 0.031 Uiso 1 1 calc R . .
H41B H 0.8950 0.0885 0.8140 0.031 Uiso 1 1 calc R . .
C42 C 0.93578(11) 0.1260(4) 0.8437(3) 0.0245(12) Uani 1 1 d DU . .
H42A H 0.9356 0.1931 0.8182 0.029 Uiso 1 1 calc R . .
H42B H 0.9544 0.0953 0.8343 0.029 Uiso 1 1 calc R . .
C43 C 0.63062(10) -0.1893(3) 0.9467(3) 0.0169(11) Uani 1 1 d . . .
C44 C 0.62046(9) -0.2596(4) 1.0010(4) 0.0217(10) Uani 1 1 d . . .
C45 C 0.59396(11) -0.3016(4) 0.9920(4) 0.0273(12) Uani 1 1 d . . .
H45A H 0.5872 -0.3493 1.0283 0.033 Uiso 1 1 calc R . .
C46 C 0.57746(12) -0.2751(4) 0.9314(3) 0.0276(14) Uani 1 1 d . . .
H46A H 0.5596 -0.3058 0.9253 0.033 Uiso 1 1 calc R . .
C47 C 0.58657(11) -0.2046(4) 0.8796(3) 0.0232(13) Uani 1 1 d . . .
H47A H 0.5748 -0.1855 0.8383 0.028 Uiso 1 1 calc R . .
C48 C 0.61271(11) -0.1611(4) 0.8871(3) 0.0178(12) Uani 1 1 d . . .
C49 C 0.63844(11) -0.2868(4) 1.0676(3) 0.0213(12) Uani 1 1 d . . .
C50 C 0.65709(12) -0.3683(5) 1.0628(3) 0.0273(13) Uani 1 1 d . . .
C51 C 0.67498(12) -0.3890(5) 1.1242(3) 0.0327(15) Uani 1 1 d . . .
H51A H 0.6877 -0.4442 1.1206 0.039 Uiso 1 1 calc R . .
C52 C 0.67447(13) -0.3304(5) 1.1902(3) 0.0326(15) Uani 1 1 d . . .
C53 C 0.65582(14) -0.2506(5) 1.1935(3) 0.0354(15) Uani 1 1 d . . .
H53A H 0.6554 -0.2100 1.2382 0.042 Uiso 1 1 calc R . .
C54 C 0.63753(13) -0.2267(5) 1.1341(3) 0.0282(14) Uani 1 1 d . . .
C55 C 0.65999(12) -0.4297(4) 0.9894(4) 0.0313(14) Uani 1 1 d . . .
H55A H 0.6443 -0.4093 0.9550 0.038 Uiso 1 1 calc R . .
C56 C 0.68720(14) -0.4022(5) 0.9496(5) 0.054(2) Uani 1 1 d . . .
H56A H 0.6880 -0.3285 0.9420 0.080 Uiso 1 1 calc R . .
H56B H 0.6880 -0.4365 0.9001 0.080 Uiso 1 1 calc R . .
H56C H 0.7031 -0.4239 0.9809 0.080 Uiso 1 1 calc R . .
C57 C 0.65775(13) -0.5440(4) 1.0020(4) 0.0420(15) Uani 1 1 d . . .
H57A H 0.6400 -0.5596 1.0274 0.063 Uiso 1 1 calc R . .
H57B H 0.6733 -0.5669 1.0339 0.063 Uiso 1 1 calc R . .
H57C H 0.6585 -0.5790 0.9528 0.063 Uiso 1 1 calc R . .
C58 C 0.69378(14) -0.3528(6) 1.2573(4) 0.0433(17) Uani 1 1 d . . .
H58A H 0.6950 -0.2896 1.2888 0.052 Uiso 1 1 calc R . .
C59 C 0.72333(16) -0.3810(7) 1.2330(5) 0.065(2) Uani 1 1 d . . .
H59A H 0.7314 -0.3256 1.2028 0.097 Uiso 1 1 calc R . .
H59B H 0.7228 -0.4432 1.2023 0.097 Uiso 1 1 calc R . .
H59C H 0.7349 -0.3925 1.2783 0.097 Uiso 1 1 calc R . .
C60 C 0.68115(17) -0.4356(6) 1.3068(4) 0.055(2) Uani 1 1 d . . .
H60A H 0.6935 -0.4489 1.3502 0.083 Uiso 1 1 calc R . .
H60B H 0.6790 -0.4979 1.2768 0.083 Uiso 1 1 calc R . .
H60C H 0.6628 -0.4135 1.3255 0.083 Uiso 1 1 calc R . .
C61 C 0.61889(14) -0.1349(5) 1.1405(3) 0.0325(15) Uani 1 1 d . . .
H61A H 0.6084 -0.1279 1.0915 0.039 Uiso 1 1 calc R . .
C62 C 0.63585(16) -0.0379(5) 1.1522(4) 0.0474(19) Uani 1 1 d . . .
H62A H 0.6231 0.0202 1.1564 0.071 Uiso 1 1 calc R . .
H62B H 0.6484 -0.0279 1.1087 0.071 Uiso 1 1 calc R . .
H62C H 0.6469 -0.0439 1.1990 0.071 Uiso 1 1 calc R . .
C63 C 0.59738(14) -0.1485(5) 1.2049(4) 0.0375(15) Uani 1 1 d . . .
H63A H 0.5854 -0.0881 1.2078 0.056 Uiso 1 1 calc R . .
H63B H 0.6072 -0.1577 1.2534 0.056 Uiso 1 1 calc R . .
H63C H 0.5858 -0.2084 1.1945 0.056 Uiso 1 1 calc R . .
C64 C 0.62280(11) -0.0825(4) 0.8317(3) 0.0180(12) Uani 1 1 d . . .
C65 C 0.61961(11) 0.0218(4) 0.8489(3) 0.0206(12) Uani 1 1 d . . .
C66 C 0.63119(11) 0.0927(4) 0.7994(3) 0.0235(13) Uani 1 1 d . . .
H66A H 0.6293 0.1629 0.8108 0.028 Uiso 1 1 calc R . .
C67 C 0.64545(11) 0.0646(4) 0.7338(3) 0.0235(13) Uani 1 1 d . . .
C68 C 0.64775(12) -0.0375(4) 0.7173(3) 0.0225(13) Uani 1 1 d . . .
H68A H 0.6570 -0.0572 0.6718 0.027 Uiso 1 1 calc R . .
C69 C 0.63704(11) -0.1128(4) 0.7645(3) 0.0200(12) Uani 1 1 d . . .
C70 C 0.60359(12) 0.0563(4) 0.9185(3) 0.0241(13) Uani 1 1 d . . .
H70A H 0.5994 -0.0054 0.9496 0.029 Uiso 1 1 calc R . .
C71 C 0.57586(13) 0.1040(5) 0.8960(4) 0.0386(16) Uani 1 1 d . . .
H71A H 0.5659 0.1264 0.9419 0.058 Uiso 1 1 calc R . .
H71B H 0.5645 0.0538 0.8689 0.058 Uiso 1 1 calc R . .
H71C H 0.5793 0.1625 0.8628 0.058 Uiso 1 1 calc R . .
C72 C 0.62033(13) 0.1287(5) 0.9682(4) 0.0424(17) Uani 1 1 d . . .
H72A H 0.6381 0.0966 0.9826 0.064 Uiso 1 1 calc R . .
H72B H 0.6096 0.1447 1.0142 0.064 Uiso 1 1 calc R . .
H72C H 0.6241 0.1914 0.9399 0.064 Uiso 1 1 calc R . .
C73 C 0.65816(13) 0.1451(5) 0.6815(3) 0.0313(14) Uani 1 1 d . . .
H73A H 0.6578 0.2110 0.7099 0.038 Uiso 1 1 calc R . .
C74 C 0.64020(16) 0.1590(6) 0.6102(4) 0.054(2) Uani 1 1 d . . .
H74A H 0.6485 0.2114 0.5777 0.082 Uiso 1 1 calc R . .
H74B H 0.6213 0.1798 0.6251 0.082 Uiso 1 1 calc R . .
H74C H 0.6393 0.0946 0.5822 0.082 Uiso 1 1 calc R . .
C75 C 0.68818(14) 0.1226(6) 0.6628(4) 0.0502(19) Uani 1 1 d . . .
H75A H 0.6957 0.1766 0.6303 0.075 Uiso 1 1 calc R . .
H75B H 0.6894 0.0574 0.6361 0.075 Uiso 1 1 calc R . .
H75C H 0.6991 0.1191 0.7100 0.075 Uiso 1 1 calc R . .
C76 C 0.64161(12) -0.2233(4) 0.7451(3) 0.0261(13) Uani 1 1 d . . .
H76A H 0.6336 -0.2646 0.7876 0.031 Uiso 1 1 calc R . .
C77 C 0.67235(14) -0.2479(5) 0.7404(5) 0.0504(19) Uani 1 1 d . . .
H77A H 0.6817 -0.2256 0.7873 0.076 Uiso 1 1 calc R . .
H77B H 0.6806 -0.2127 0.6967 0.076 Uiso 1 1 calc R . .
H77C H 0.6748 -0.3214 0.7344 0.076 Uiso 1 1 calc R . .
C78 C 0.62650(16) -0.2540(5) 0.6724(4) 0.0456(18) Uani 1 1 d . . .
H78A H 0.6301 -0.3259 0.6618 0.068 Uiso 1 1 calc R . .
H78B H 0.6333 -0.2126 0.6299 0.068 Uiso 1 1 calc R . .
H78C H 0.6063 -0.2433 0.6787 0.068 Uiso 1 1 calc R . .
C79 C 0.99942(10) 0.3255(4) 1.0446(3) 0.0151(11) Uani 1 1 d . . .
C80 C 1.00002(12) 0.4321(4) 1.0384(3) 0.0198(12) Uani 1 1 d . . .
C81 C 1.02278(11) 0.4861(4) 1.0644(3) 0.0182(12) Uani 1 1 d . . .
H81A H 1.0231 0.5580 1.0592 0.022 Uiso 1 1 calc R . .
C82 C 1.04525(12) 0.4370(4) 1.0981(3) 0.0245(13) Uani 1 1 d . . .
H82A H 1.0610 0.4748 1.1150 0.029 Uiso 1 1 calc R . .
C83 C 1.04456(11) 0.3322(4) 1.1069(3) 0.0204(12) Uani 1 1 d . . .
H83A H 1.0596 0.2983 1.1313 0.024 Uiso 1 1 calc R . .
C84 C 1.02182(11) 0.2766(4) 1.0800(3) 0.0163(11) Uani 1 1 d . . .
C85 C 1.02047(10) 0.1630(4) 1.0891(3) 0.0140(11) Uani 1 1 d . . .
C86 C 1.02792(12) 0.0984(4) 1.0274(3) 0.0185(13) Uani 1 1 d . . .
C87 C 1.02285(11) -0.0047(4) 1.0327(3) 0.0215(12) Uani 1 1 d . . .
H87A H 1.0282 -0.0474 0.9916 0.026 Uiso 1 1 calc R . .
C88 C 1.01030(12) -0.0479(4) 1.0959(3) 0.0208(12) Uani 1 1 d . . .
C89 C 1.00423(11) 0.0154(4) 1.1572(3) 0.0194(12) Uani 1 1 d . . .
H89A H 0.9965 -0.0136 1.2022 0.023 Uiso 1 1 calc R . .
C90 C 1.00902(11) 0.1198(4) 1.1551(3) 0.0191(12) Uani 1 1 d . . .
C91 C 1.04200(11) 0.1420(4) 0.9571(4) 0.0255(11) Uani 1 1 d . . .
H91A H 1.0410 0.2177 0.9607 0.031 Uiso 1 1 calc R . .
C92 C 1.02749(15) 0.1101(6) 0.8833(4) 0.0406(17) Uani 1 1 d . . .
H92A H 1.0375 0.1395 0.8397 0.061 Uiso 1 1 calc R . .
H92B H 1.0081 0.1346 0.8836 0.061 Uiso 1 1 calc R . .
H92C H 1.0276 0.0358 0.8791 0.061 Uiso 1 1 calc R . .
C93 C 1.07293(11) 0.1123(5) 0.9558(5) 0.0391(14) Uani 1 1 d . . .
H93A H 1.0818 0.1401 0.9099 0.059 Uiso 1 1 calc R . .
H93B H 1.0746 0.0381 0.9556 0.059 Uiso 1 1 calc R . .
H93C H 1.0823 0.1397 1.0011 0.059 Uiso 1 1 calc R . .
C94 C 1.00310(12) -0.1620(4) 1.1010(3) 0.0220(12) Uani 1 1 d . . .
H94A H 0.9863 -0.1681 1.1345 0.026 Uiso 1 1 calc R . .
C95 C 1.02649(13) -0.2214(4) 1.1391(4) 0.0317(15) Uani 1 1 d . . .
H95A H 1.0212 -0.2933 1.1424 0.048 Uiso 1 1 calc R . .
H95B H 1.0297 -0.1945 1.1904 0.048 Uiso 1 1 calc R . .
H95C H 1.0437 -0.2148 1.1091 0.048 Uiso 1 1 calc R . .
C96 C 0.99538(13) -0.2081(4) 1.0249(3) 0.0277(14) Uani 1 1 d . . .
H96A H 0.9907 -0.2800 1.0318 0.041 Uiso 1 1 calc R . .
H96B H 1.0113 -0.2022 0.9898 0.041 Uiso 1 1 calc R . .
H96C H 0.9792 -0.1720 1.0036 0.041 Uiso 1 1 calc R . .
C97 C 1.00112(11) 0.1840(4) 1.2230(3) 0.0206(12) Uani 1 1 d . . .
H97A H 1.0057 0.2561 1.2102 0.025 Uiso 1 1 calc R . .
C98 C 1.01788(15) 0.1561(5) 1.2939(3) 0.0402(17) Uani 1 1 d . . .
H98A H 1.0122 0.1998 1.3364 0.060 Uiso 1 1 calc R . .
H98B H 1.0379 0.1658 1.2839 0.060 Uiso 1 1 calc R . .
H98C H 1.0144 0.0849 1.3071 0.060 Uiso 1 1 calc R . .
C99 C 0.96965(13) 0.1795(5) 1.2403(4) 0.0403(16) Uani 1 1 d . . .
H99A H 0.9591 0.1984 1.1946 0.060 Uiso 1 1 calc R . .
H99B H 0.9652 0.2270 1.2816 0.060 Uiso 1 1 calc R . .
H99C H 0.9646 0.1104 1.2557 0.060 Uiso 1 1 calc R . .
C100 C 0.97642(10) 0.4873(3) 1.0027(4) 0.0197(11) Uani 1 1 d . . .
C101 C 0.97447(11) 0.5029(4) 0.9234(3) 0.0177(12) Uani 1 1 d . . .
C102 C 0.95189(11) 0.5547(4) 0.8923(3) 0.0202(12) Uani 1 1 d . . .
H10C H 0.9513 0.5642 0.8387 0.024 Uiso 1 1 calc R . .
C103 C 0.93026(11) 0.5928(4) 0.9353(3) 0.0211(13) Uani 1 1 d . . .
C104 C 0.93205(11) 0.5777(4) 1.0147(3) 0.0186(12) Uani 1 1 d . . .
H10D H 0.9175 0.6030 1.0461 0.022 Uiso 1 1 calc R . .
C105 C 0.95424(11) 0.5274(4) 1.0484(3) 0.0175(12) Uani 1 1 d . . .
C106 C 0.99738(12) 0.4662(4) 0.8700(3) 0.0208(13) Uani 1 1 d . . .
H10E H 1.0117 0.4304 0.9015 0.025 Uiso 1 1 calc R . .
C107 C 0.98624(14) 0.3902(5) 0.8117(3) 0.0364(15) Uani 1 1 d . . .
H10F H 0.9774 0.3332 0.8383 0.055 Uiso 1 1 calc R . .
H10G H 1.0018 0.3648 0.7805 0.055 Uiso 1 1 calc R . .
H10H H 0.9725 0.4237 0.7789 0.055 Uiso 1 1 calc R . .
C108 C 1.01175(13) 0.5562(5) 0.8316(3) 0.0324(15) Uani 1 1 d . . .
H10I H 1.0188 0.6028 0.8706 0.049 Uiso 1 1 calc R . .
H10J H 0.9983 0.5919 0.7992 0.049 Uiso 1 1 calc R . .
H10K H 1.0274 0.5316 0.8005 0.049 Uiso 1 1 calc R . .
C109 C 0.90570(12) 0.6526(4) 0.9043(3) 0.0250(13) Uani 1 1 d . . .
H10L H 0.8889 0.6343 0.9352 0.030 Uiso 1 1 calc R . .
C110 C 0.89911(15) 0.6278(5) 0.8208(4) 0.0465(18) Uani 1 1 d . . .
H11C H 0.8958 0.5546 0.8155 0.070 Uiso 1 1 calc R . .
H11D H 0.9150 0.6477 0.7887 0.070 Uiso 1 1 calc R . .
H11E H 0.8824 0.6651 0.8049 0.070 Uiso 1 1 calc R . .
C111 C 0.91069(13) 0.7668(4) 0.9136(4) 0.0337(14) Uani 1 1 d . . .
H11F H 0.9147 0.7820 0.9671 0.050 Uiso 1 1 calc R . .
H11G H 0.8939 0.8040 0.8975 0.050 Uiso 1 1 calc R . .
H11H H 0.9266 0.7874 0.8820 0.050 Uiso 1 1 calc R . .
C112 C 0.95410(11) 0.5133(4) 1.1347(3) 0.0191(12) Uani 1 1 d . . .
H11I H 0.9730 0.4883 1.1507 0.023 Uiso 1 1 calc R . .
C113 C 0.94818(13) 0.6132(4) 1.1765(3) 0.0293(14) Uani 1 1 d . . .
H11J H 0.9621 0.6641 1.1617 0.044 Uiso 1 1 calc R . .
H11K H 0.9492 0.6018 1.2316 0.044 Uiso 1 1 calc R . .
H11L H 0.9295 0.6376 1.1630 0.044 Uiso 1 1 calc R . .
C114 C 0.93235(13) 0.4342(5) 1.1581(3) 0.0319(15) Uani 1 1 d . . .
H11M H 0.9361 0.3702 1.1315 0.048 Uiso 1 1 calc R . .
H11N H 0.9136 0.4586 1.1446 0.048 Uiso 1 1 calc R . .
H11O H 0.9334 0.4230 1.2132 0.048 Uiso 1 1 calc R . .
C51E C 0.82487(14) -0.1839(5) 0.9441(5) 0.0503(18) Uani 1 1 d . . .
H51B H 0.8397 -0.2323 0.9310 0.075 Uiso 1 1 calc R . .
H51C H 0.8137 -0.1688 0.8986 0.075 Uiso 1 1 calc R . .
H51D H 0.8128 -0.2135 0.9834 0.075 Uiso 1 1 calc R . .
C52E C 0.83788(13) -0.0864(5) 0.9740(4) 0.046(2) Uani 1 1 d . . .
H52A H 0.8492 -0.1007 1.0199 0.055 Uiso 1 1 calc R . .
H52B H 0.8502 -0.0559 0.9348 0.055 Uiso 1 1 calc R . .
O50E O 0.81586(8) -0.0188(3) 0.9921(3) 0.0423(10) Uani 1 1 d . . .
C53E C 0.82636(15) 0.0774(6) 1.0170(4) 0.056(2) Uani 1 1 d . . .
H53B H 0.8392 0.1056 0.9782 0.067 Uiso 1 1 calc R . .
H53C H 0.8369 0.0689 1.0651 0.067 Uiso 1 1 calc R . .
C54E C 0.80220(19) 0.1492(6) 1.0294(5) 0.071(3) Uani 1 1 d . . .
H54A H 0.8093 0.2153 1.0463 0.107 Uiso 1 1 calc R . .
H54B H 0.7897 0.1213 1.0683 0.107 Uiso 1 1 calc R . .
H54C H 0.7919 0.1577 0.9815 0.107 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 C43 2.058(5) . ?
Au1 P1 2.2805(14) . ?
Au2 C79 2.059(5) . ?
Au2 P2 2.2770(13) . ?
P1 C29 1.820(7) . ?
P1 C15 1.823(6) . ?
P1 C1 1.828(7) . ?
P2 C28 1.825(5) . ?
P2 C42 1.827(5) . ?
P2 C14 1.833(5) . ?
C1 C2 1.534(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.553(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.552(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.507(8) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.563(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.462(8) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.502(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.511(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.533(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.523(7) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.527(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.531(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.518(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.530(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.515(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.540(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.511(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.510(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.536(8) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.499(9) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.584(8) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.431(9) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.540(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.477(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.534(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.523(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.544(8) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.500(8) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.536(8) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.508(8) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.457(8) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.567(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.537(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.526(7) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.525(6) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.519(6) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.524(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.528(6) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.531(6) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C48 1.403(8) . ?
C43 C44 1.414(8) . ?
C44 C45 1.391(7) . ?
C44 C49 1.494(8) . ?
C45 C46 1.370(8) . ?
C45 H45A 0.9500 . ?
C46 C47 1.371(8) . ?
C46 H46A 0.9500 . ?
C47 C48 1.380(8) . ?
C47 H47A 0.9500 . ?
C48 C64 1.499(7) . ?
C49 C50 1.397(8) . ?
C49 C54 1.411(8) . ?
C50 C51 1.403(8) . ?
C50 C55 1.527(8) . ?
C51 C52 1.392(9) . ?
C51 H51A 0.9500 . ?
C52 C53 1.379(9) . ?
C52 C58 1.525(8) . ?
C53 C54 1.397(8) . ?
C53 H53A 0.9500 . ?
C54 C61 1.505(9) . ?
C55 C56 1.521(8) . ?
C55 C57 1.523(8) . ?
C55 H55A 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C60 1.520(10) . ?
C58 C59 1.521(11) . ?
C58 H58A 1.0000 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.525(9) . ?
C61 C63 1.539(9) . ?
C61 H61A 1.0000 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C65 1.412(8) . ?
C64 C69 1.420(7) . ?
C65 C66 1.390(8) . ?
C65 C70 1.512(7) . ?
C66 C67 1.388(8) . ?
C66 H66A 0.9500 . ?
C67 C68 1.379(8) . ?
C67 C73 1.528(8) . ?
C68 C69 1.390(8) . ?
C68 H68A 0.9500 . ?
C69 C76 1.509(8) . ?
C70 C71 1.518(8) . ?
C70 C72 1.520(8) . ?
C70 H70A 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C75 1.501(9) . ?
C73 C74 1.529(9) . ?
C73 H73A 1.0000 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C77 1.507(8) . ?
C76 C78 1.521(8) . ?
C76 H76A 1.0000 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 C84 1.395(7) . ?
C79 C80 1.408(7) . ?
C80 C81 1.377(8) . ?
C80 C100 1.481(7) . ?
C81 C82 1.386(8) . ?
C81 H81A 0.9500 . ?
C82 C83 1.388(8) . ?
C82 H82A 0.9500 . ?
C83 C84 1.392(7) . ?
C83 H83A 0.9500 . ?
C84 C85 1.505(7) . ?
C85 C90 1.401(7) . ?
C85 C86 1.423(7) . ?
C86 C87 1.382(8) . ?
C86 C91 1.517(8) . ?
C87 C88 1.384(8) . ?
C87 H87A 0.9500 . ?
C88 C89 1.391(8) . ?
C88 C94 1.543(7) . ?
C89 C90 1.393(7) . ?
C89 H89A 0.9500 . ?
C90 C97 1.510(7) . ?
C91 C93 1.529(7) . ?
C91 C92 1.530(9) . ?
C91 H91A 1.0000 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C96 1.514(7) . ?
C94 C95 1.520(8) . ?
C94 H94A 1.0000 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.525(8) . ?
C97 C99 1.535(8) . ?
C97 H97A 1.0000 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C101 1.410(8) . ?
C100 C105 1.431(8) . ?
C101 C102 1.388(8) . ?
C101 C106 1.521(7) . ?
C102 C103 1.375(7) . ?
C102 H10C 0.9500 . ?
C103 C104 1.410(8) . ?
C103 C109 1.514(7) . ?
C104 C105 1.383(7) . ?
C104 H10D 0.9500 . ?
C105 C112 1.527(7) . ?
C106 C108 1.525(8) . ?
C106 C107 1.527(8) . ?
C106 H10E 1.0000 . ?
C107 H10F 0.9800 . ?
C107 H10G 0.9800 . ?
C107 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C108 H10J 0.9800 . ?
C108 H10K 0.9800 . ?
C109 C111 1.530(8) . ?
C109 C110 1.534(8) . ?
C109 H10L 1.0000 . ?
C110 H11C 0.9800 . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C111 H11G 0.9800 . ?
C111 H11H 0.9800 . ?
C112 C114 1.527(8) . ?
C112 C113 1.531(8) . ?
C112 H11I 1.0000 . ?
C113 H11J 0.9800 . ?
C113 H11K 0.9800 . ?
C113 H11L 0.9800 . ?
C114 H11M 0.9800 . ?
C114 H11N 0.9800 . ?
C114 H11O 0.9800 . ?
C51E C52E 1.519(9) . ?
C51E H51B 0.9800 . ?
C51E H51C 0.9800 . ?
C51E H51D 0.9800 . ?
C52E O50E 1.414(7) . ?
C52E H52A 0.9900 . ?
C52E H52B 0.9900 . ?
O50E C53E 1.430(8) . ?
C53E C54E 1.507(11) . ?
C53E H53B 0.9900 . ?
C53E H53C 0.9900 . ?
C54E H54A 0.9800 . ?
C54E H54B 0.9800 . ?
C54E H54C 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
C43 Au1 P1 178.97(15) . . ?
C79 Au2 P2 178.81(15) . . ?
C29 P1 C15 104.9(3) . . ?
C29 P1 C1 102.4(4) . . ?
C15 P1 C1 101.8(3) . . ?
C29 P1 Au1 117.9(2) . . ?
C15 P1 Au1 115.3(2) . . ?
C1 P1 Au1 112.6(2) . . ?
C28 P2 C42 105.4(3) . . ?
C28 P2 C14 105.6(3) . . ?
C42 P2 C14 105.3(3) . . ?
C28 P2 Au2 110.79(19) . . ?
C42 P2 Au2 114.55(17) . . ?
C14 P2 Au2 114.42(18) . . ?
C2 C1 P1 114.2(4) . . ?
C2 C1 H1A 108.7 . . ?
P1 C1 H1A 108.7 . . ?
C2 C1 H1B 108.7 . . ?
P1 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C1 C2 C3 110.7(6) . . ?
C1 C2 H2A 109.5 . . ?
C3 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C2 116.8(7) . . ?
C4 C3 H3A 108.1 . . ?
C2 C3 H3A 108.1 . . ?
C4 C3 H3B 108.1 . . ?
C2 C3 H3B 108.1 . . ?
H3A C3 H3B 107.3 . . ?
C5 C4 C3 117.8(7) . . ?
C5 C4 H4A 107.9 . . ?
C3 C4 H4A 107.9 . . ?
C5 C4 H4B 107.9 . . ?
C3 C4 H4B 107.9 . . ?
H4A C4 H4B 107.2 . . ?
C4 C5 C6 116.6(8) . . ?
C4 C5 H5A 108.1 . . ?
C6 C5 H5A 108.1 . . ?
C4 C5 H5B 108.1 . . ?
C6 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
C7 C6 C5 114.7(7) . . ?
C7 C6 H6A 108.6 . . ?
C5 C6 H6A 108.6 . . ?
C7 C6 H6B 108.6 . . ?
C5 C6 H6B 108.6 . . ?
H6A C6 H6B 107.6 . . ?
C6 C7 C8 112.4(7) . . ?
C6 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
C6 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
C7 C8 C9 114.6(7) . . ?
C7 C8 H8A 108.6 . . ?
C9 C8 H8A 108.6 . . ?
C7 C8 H8B 108.6 . . ?
C9 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
C8 C9 C10 112.7(5) . . ?
C8 C9 H9A 109.0 . . ?
C10 C9 H9A 109.0 . . ?
C8 C9 H9B 109.0 . . ?
C10 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C11 C10 C9 111.3(5) . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C12 114.4(5) . . ?
C10 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
C10 C11 H11B 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C11 C12 C13 114.2(5) . . ?
C11 C12 H12A 108.7 . . ?
C13 C12 H12A 108.7 . . ?
C11 C12 H12B 108.7 . . ?
C13 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C14 C13 C12 112.8(4) . . ?
C14 C13 H13A 109.0 . . ?
C12 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
C12 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C13 C14 P2 113.3(4) . . ?
C13 C14 H14A 108.9 . . ?
P2 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
P2 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C16 C15 P1 112.0(4) . . ?
C16 C15 H15A 109.2 . . ?
P1 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
P1 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C17 C16 C15 111.7(5) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 C18 112.2(6) . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17B 109.2 . . ?
C18 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C19 C18 C17 112.3(6) . . ?
C19 C18 H18A 109.1 . . ?
C17 C18 H18A 109.1 . . ?
C19 C18 H18B 109.1 . . ?
C17 C18 H18B 109.1 . . ?
H18A C18 H18B 107.9 . . ?
C20 C19 C18 113.1(6) . . ?
C20 C19 H19A 109.0 . . ?
C18 C19 H19A 109.0 . . ?
C20 C19 H19B 109.0 . . ?
C18 C19 H19B 109.0 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 C21 115.6(7) . . ?
C19 C20 H20A 108.4 . . ?
C21 C20 H20A 108.4 . . ?
C19 C20 H20B 108.4 . . ?
C21 C20 H20B 108.4 . . ?
H20A C20 H20B 107.5 . . ?
C22 C21 C20 114.2(8) . . ?
C22 C21 H21A 108.7 . . ?
C20 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
C20 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C21 C22 C23 97.4(8) . . ?
C21 C22 H22A 112.3 . . ?
C23 C22 H22A 112.3 . . ?
C21 C22 H22B 112.3 . . ?
C23 C22 H22B 112.3 . . ?
H22A C22 H22B 109.9 . . ?
C24 C23 C22 102.7(9) . . ?
C24 C23 H23A 111.2 . . ?
C22 C23 H23A 111.2 . . ?
C24 C23 H23B 111.2 . . ?
C22 C23 H23B 111.2 . . ?
H23A C23 H23B 109.1 . . ?
C23 C24 C25 116.6(10) . . ?
C23 C24 H24A 108.1 . . ?
C25 C24 H24A 108.1 . . ?
C23 C24 H24B 108.1 . . ?
C25 C24 H24B 108.1 . . ?
H24A C24 H24B 107.3 . . ?
C26 C25 C24 113.4(9) . . ?
C26 C25 H25A 108.9 . . ?
C24 C25 H25A 108.9 . . ?
C26 C25 H25B 108.9 . . ?
C24 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C25 C26 C27 109.4(7) . . ?
C25 C26 H26A 109.8 . . ?
C27 C26 H26A 109.8 . . ?
C25 C26 H26B 109.8 . . ?
C27 C26 H26B 109.8 . . ?
H26A C26 H26B 108.2 . . ?
C28 C27 C26 117.7(6) . . ?
C28 C27 H27A 107.9 . . ?
C26 C27 H27A 107.9 . . ?
C28 C27 H27B 107.9 . . ?
C26 C27 H27B 107.9 . . ?
H27A C27 H27B 107.2 . . ?
C27 C28 P2 112.1(4) . . ?
C27 C28 H28A 109.2 . . ?
P2 C28 H28A 109.2 . . ?
C27 C28 H28B 109.2 . . ?
P2 C28 H28B 109.2 . . ?
H28A C28 H28B 107.9 . . ?
C30 C29 P1 120.3(5) . . ?
C30 C29 H29A 107.2 . . ?
P1 C29 H29A 107.2 . . ?
C30 C29 H29B 107.2 . . ?
P1 C29 H29B 107.2 . . ?
H29A C29 H29B 106.9 . . ?
C31 C30 C29 115.9(7) . . ?
C31 C30 H30A 108.3 . . ?
C29 C30 H30A 108.3 . . ?
C31 C30 H30B 108.3 . . ?
C29 C30 H30B 108.3 . . ?
H30A C30 H30B 107.4 . . ?
C30 C31 C32 113.7(7) . . ?
C30 C31 H31A 108.8 . . ?
C32 C31 H31A 108.8 . . ?
C30 C31 H31B 108.8 . . ?
C32 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?
C33 C32 C31 123.8(10) . . ?
C33 C32 H32A 106.4 . . ?
C31 C32 H32A 106.4 . . ?
C33 C32 H32B 106.4 . . ?
C31 C32 H32B 106.4 . . ?
H32A C32 H32B 106.4 . . ?
C34 C33 C32 110.8(8) . . ?
C34 C33 H33A 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C33 C34 C35 119.0(8) . . ?
C33 C34 H34A 107.6 . . ?
C35 C34 H34A 107.6 . . ?
C33 C34 H34B 107.6 . . ?
C35 C34 H34B 107.6 . . ?
H34A C34 H34B 107.0 . . ?
C36 C35 C34 105.9(7) . . ?
C36 C35 H35A 110.5 . . ?
C34 C35 H35A 110.5 . . ?
C36 C35 H35B 110.5 . . ?
C34 C35 H35B 110.5 . . ?
H35A C35 H35B 108.7 . . ?
C37 C36 C35 115.1(6) . . ?
C37 C36 H36A 108.5 . . ?
C35 C36 H36A 108.5 . . ?
C37 C36 H36B 108.5 . . ?
C35 C36 H36B 108.5 . . ?
H36A C36 H36B 107.5 . . ?
C38 C37 C36 112.7(5) . . ?
C38 C37 H37A 109.1 . . ?
C36 C37 H37A 109.1 . . ?
C38 C37 H37B 109.1 . . ?
C36 C37 H37B 109.1 . . ?
H37A C37 H37B 107.8 . . ?
C39 C38 C37 114.8(5) . . ?
C39 C38 H38A 108.6 . . ?
C37 C38 H38A 108.6 . . ?
C39 C38 H38B 108.6 . . ?
C37 C38 H38B 108.6 . . ?
H38A C38 H38B 107.5 . . ?
C38 C39 C40 113.0(5) . . ?
C38 C39 H39A 109.0 . . ?
C40 C39 H39A 109.0 . . ?
C38 C39 H39B 109.0 . . ?
C40 C39 H39B 109.0 . . ?
H39A C39 H39B 107.8 . . ?
C39 C40 C41 113.7(4) . . ?
C39 C40 H40A 108.8 . . ?
C41 C40 H40A 108.8 . . ?
C39 C40 H40B 108.8 . . ?
C41 C40 H40B 108.8 . . ?
H40A C40 H40B 107.7 . . ?
C40 C41 C42 112.6(4) . . ?
C40 C41 H41A 109.1 . . ?
C42 C41 H41A 109.1 . . ?
C40 C41 H41B 109.1 . . ?
C42 C41 H41B 109.1 . . ?
H41A C41 H41B 107.8 . . ?
C41 C42 P2 117.4(4) . . ?
C41 C42 H42A 108.0 . . ?
P2 C42 H42A 108.0 . . ?
C41 C42 H42B 108.0 . . ?
P2 C42 H42B 108.0 . . ?
H42A C42 H42B 107.2 . . ?
C48 C43 C44 117.8(5) . . ?
C48 C43 Au1 120.9(4) . . ?
C44 C43 Au1 121.3(4) . . ?
C45 C44 C43 119.8(6) . . ?
C45 C44 C49 121.2(5) . . ?
C43 C44 C49 119.1(4) . . ?
C46 C45 C44 120.7(5) . . ?
C46 C45 H45A 119.6 . . ?
C44 C45 H45A 119.6 . . ?
C45 C46 C47 120.4(5) . . ?
C45 C46 H46A 119.8 . . ?
C47 C46 H46A 119.8 . . ?
C46 C47 C48 120.3(5) . . ?
C46 C47 H47A 119.9 . . ?
C48 C47 H47A 119.9 . . ?
C47 C48 C43 121.0(5) . . ?
C47 C48 C64 121.0(5) . . ?
C43 C48 C64 118.0(5) . . ?
C50 C49 C54 120.0(5) . . ?
C50 C49 C44 120.2(5) . . ?
C54 C49 C44 119.7(5) . . ?
C49 C50 C51 119.5(5) . . ?
C49 C50 C55 121.0(5) . . ?
C51 C50 C55 119.4(5) . . ?
C52 C51 C50 121.5(6) . . ?
C52 C51 H51A 119.3 . . ?
C50 C51 H51A 119.3 . . ?
C53 C52 C51 117.8(5) . . ?
C53 C52 C58 120.4(6) . . ?
C51 C52 C58 121.7(6) . . ?
C52 C53 C54 123.1(6) . . ?
C52 C53 H53A 118.5 . . ?
C54 C53 H53A 118.5 . . ?
C53 C54 C49 118.2(5) . . ?
C53 C54 C61 119.7(6) . . ?
C49 C54 C61 122.0(5) . . ?
C56 C55 C57 111.2(5) . . ?
C56 C55 C50 109.9(5) . . ?
C57 C55 C50 113.2(5) . . ?
C56 C55 H55A 107.4 . . ?
C57 C55 H55A 107.4 . . ?
C50 C55 H55A 107.4 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C60 C58 C59 110.7(6) . . ?
C60 C58 C52 109.9(6) . . ?
C59 C58 C52 113.1(6) . . ?
C60 C58 H58A 107.6 . . ?
C59 C58 H58A 107.6 . . ?
C52 C58 H58A 107.6 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C54 C61 C62 111.5(6) . . ?
C54 C61 C63 110.9(5) . . ?
C62 C61 C63 110.7(5) . . ?
C54 C61 H61A 107.9 . . ?
C62 C61 H61A 107.9 . . ?
C63 C61 H61A 107.9 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C65 C64 C69 120.1(5) . . ?
C65 C64 C48 119.8(5) . . ?
C69 C64 C48 119.9(5) . . ?
C66 C65 C64 118.4(5) . . ?
C66 C65 C70 120.3(5) . . ?
C64 C65 C70 121.2(5) . . ?
C67 C66 C65 122.3(5) . . ?
C67 C66 H66A 118.8 . . ?
C65 C66 H66A 118.8 . . ?
C68 C67 C66 118.3(5) . . ?
C68 C67 C73 121.1(5) . . ?
C66 C67 C73 120.6(5) . . ?
C67 C68 C69 122.6(5) . . ?
C67 C68 H68A 118.7 . . ?
C69 C68 H68A 118.7 . . ?
C68 C69 C64 118.2(5) . . ?
C68 C69 C76 119.9(5) . . ?
C64 C69 C76 121.9(5) . . ?
C65 C70 C71 110.9(5) . . ?
C65 C70 C72 112.7(5) . . ?
C71 C70 C72 110.5(5) . . ?
C65 C70 H70A 107.5 . . ?
C71 C70 H70A 107.5 . . ?
C72 C70 H70A 107.5 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C75 C73 C67 112.0(5) . . ?
C75 C73 C74 112.4(6) . . ?
C67 C73 C74 110.6(5) . . ?
C75 C73 H73A 107.2 . . ?
C67 C73 H73A 107.2 . . ?
C74 C73 H73A 107.2 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C77 C76 C69 111.1(5) . . ?
C77 C76 C78 111.1(5) . . ?
C69 C76 C78 112.1(5) . . ?
C77 C76 H76A 107.4 . . ?
C69 C76 H76A 107.4 . . ?
C78 C76 H76A 107.4 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C84 C79 C80 118.5(5) . . ?
C84 C79 Au2 119.6(4) . . ?
C80 C79 Au2 121.8(4) . . ?
C81 C80 C79 120.3(5) . . ?
C81 C80 C100 119.3(5) . . ?
C79 C80 C100 120.4(5) . . ?
C80 C81 C82 120.9(5) . . ?
C80 C81 H81A 119.6 . . ?
C82 C81 H81A 119.6 . . ?
C81 C82 C83 119.5(5) . . ?
C81 C82 H82A 120.3 . . ?
C83 C82 H82A 120.3 . . ?
C82 C83 C84 120.2(5) . . ?
C82 C83 H83A 119.9 . . ?
C84 C83 H83A 119.9 . . ?
C83 C84 C79 120.6(5) . . ?
C83 C84 C85 121.3(5) . . ?
C79 C84 C85 118.2(4) . . ?
C90 C85 C86 119.1(5) . . ?
C90 C85 C84 120.5(4) . . ?
C86 C85 C84 120.1(4) . . ?
C87 C86 C85 119.4(5) . . ?
C87 C86 C91 120.3(5) . . ?
C85 C86 C91 120.3(5) . . ?
C86 C87 C88 122.2(5) . . ?
C86 C87 H87A 118.9 . . ?
C88 C87 H87A 118.9 . . ?
C87 C88 C89 117.7(5) . . ?
C87 C88 C94 122.8(5) . . ?
C89 C88 C94 119.4(5) . . ?
C88 C89 C90 122.3(5) . . ?
C88 C89 H89A 118.8 . . ?
C90 C89 H89A 118.8 . . ?
C89 C90 C85 119.1(5) . . ?
C89 C90 C97 119.2(5) . . ?
C85 C90 C97 121.6(5) . . ?
C86 C91 C93 110.2(5) . . ?
C86 C91 C92 112.7(4) . . ?
C93 C91 C92 110.8(6) . . ?
C86 C91 H91A 107.7 . . ?
C93 C91 H91A 107.7 . . ?
C92 C91 H91A 107.7 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C96 C94 C95 111.2(5) . . ?
C96 C94 C88 113.2(4) . . ?
C95 C94 C88 111.2(5) . . ?
C96 C94 H94A 106.9 . . ?
C95 C94 H94A 106.9 . . ?
C88 C94 H94A 106.9 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C94 C96 H96A 109.5 . . ?
C94 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C94 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C90 C97 C98 112.3(5) . . ?
C90 C97 C99 112.3(5) . . ?
C98 C97 C99 110.1(5) . . ?
C90 C97 H97A 107.3 . . ?
C98 C97 H97A 107.3 . . ?
C99 C97 H97A 107.3 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C101 C100 C105 116.8(5) . . ?
C101 C100 C80 122.7(5) . . ?
C105 C100 C80 120.5(6) . . ?
C102 C101 C100 120.8(5) . . ?
C102 C101 C106 118.2(5) . . ?
C100 C101 C106 121.0(5) . . ?
C103 C102 C101 123.1(5) . . ?
C103 C102 H10C 118.4 . . ?
C101 C102 H10C 118.4 . . ?
C102 C103 C104 116.5(5) . . ?
C102 C103 C109 125.1(5) . . ?
C104 C103 C109 118.4(5) . . ?
C105 C104 C103 122.5(5) . . ?
C105 C104 H10D 118.8 . . ?
C103 C104 H10D 118.8 . . ?
C104 C105 C100 120.3(5) . . ?
C104 C105 C112 118.7(5) . . ?
C100 C105 C112 121.0(5) . . ?
C101 C106 C108 110.5(4) . . ?
C101 C106 C107 111.7(5) . . ?
C108 C106 C107 111.7(5) . . ?
C101 C106 H10E 107.6 . . ?
C108 C106 H10E 107.6 . . ?
C107 C106 H10E 107.6 . . ?
C106 C107 H10F 109.5 . . ?
C106 C107 H10G 109.5 . . ?
H10F C107 H10G 109.5 . . ?
C106 C107 H10H 109.5 . . ?
H10F C107 H10H 109.5 . . ?
H10G C107 H10H 109.5 . . ?
C106 C108 H10I 109.5 . . ?
C106 C108 H10J 109.5 . . ?
H10I C108 H10J 109.5 . . ?
C106 C108 H10K 109.5 . . ?
H10I C108 H10K 109.5 . . ?
H10J C108 H10K 109.5 . . ?
C103 C109 C111 110.6(5) . . ?
C103 C109 C110 113.1(5) . . ?
C111 C109 C110 110.0(5) . . ?
C103 C109 H10L 107.6 . . ?
C111 C109 H10L 107.6 . . ?
C110 C109 H10L 107.6 . . ?
C109 C110 H11C 109.5 . . ?
C109 C110 H11D 109.5 . . ?
H11C C110 H11D 109.5 . . ?
C109 C110 H11E 109.5 . . ?
H11C C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
C109 C111 H11F 109.5 . . ?
C109 C111 H11G 109.5 . . ?
H11F C111 H11G 109.5 . . ?
C109 C111 H11H 109.5 . . ?
H11F C111 H11H 109.5 . . ?
H11G C111 H11H 109.5 . . ?
C105 C112 C114 110.6(4) . . ?
C105 C112 C113 111.9(4) . . ?
C114 C112 C113 109.3(5) . . ?
C105 C112 H11I 108.3 . . ?
C114 C112 H11I 108.3 . . ?
C113 C112 H11I 108.3 . . ?
C112 C113 H11J 109.5 . . ?
C112 C113 H11K 109.5 . . ?
H11J C113 H11K 109.5 . . ?
C112 C113 H11L 109.5 . . ?
H11J C113 H11L 109.5 . . ?
H11K C113 H11L 109.5 . . ?
C112 C114 H11M 109.5 . . ?
C112 C114 H11N 109.5 . . ?
H11M C114 H11N 109.5 . . ?
C112 C114 H11O 109.5 . . ?
H11M C114 H11O 109.5 . . ?
H11N C114 H11O 109.5 . . ?
C52E C51E H51B 109.5 . . ?
C52E C51E H51C 109.5 . . ?
H51B C51E H51C 109.5 . . ?
C52E C51E H51D 109.5 . . ?
H51B C51E H51D 109.5 . . ?
H51C C51E H51D 109.5 . . ?
O50E C52E C51E 107.7(5) . . ?
O50E C52E H52A 110.2 . . ?
C51E C52E H52A 110.2 . . ?
O50E C52E H52B 110.2 . . ?
C51E C52E H52B 110.2 . . ?
H52A C52E H52B 108.5 . . ?
C52E O50E C53E 111.4(5) . . ?
O50E C53E C54E 109.3(6) . . ?
O50E C53E H53B 109.8 . . ?
C54E C53E H53B 109.8 . . ?
O50E C53E H53C 109.8 . . ?
C54E C53E H53C 109.8 . . ?
H53B C53E H53C 108.3 . . ?
C53E C54E H54A 109.5 . . ?
C53E C54E H54B 109.5 . . ?
H54A C54E H54B 109.5 . . ?
C53E C54E H54C 109.5 . . ?
H54A C54E H54C 109.5 . . ?
H54B C54E H54C 109.5 . . ?

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
C43 Au1 P1 C29 49(9) . . . . ?
C43 Au1 P1 C15 174(23) . . . . ?
C43 Au1 P1 C1 -70(9) . . . . ?
C79 Au2 P2 C28 -108(7) . . . . ?
C79 Au2 P2 C42 11(7) . . . . ?
C79 Au2 P2 C14 132(7) . . . . ?
C29 P1 C1 C2 -71.3(6) . . . . ?
C15 P1 C1 C2 -179.6(6) . . . . ?
Au1 P1 C1 C2 56.3(6) . . . . ?
P1 C1 C2 C3 178.9(6) . . . . ?
C1 C2 C3 C4 -61.9(10) . . . . ?
C2 C3 C4 C5 -46.8(12) . . . . ?
C3 C4 C5 C6 177.9(8) . . . . ?
C4 C5 C6 C7 71.3(11) . . . . ?
C5 C6 C7 C8 -172.7(7) . . . . ?
C6 C7 C8 C9 -65.7(10) . . . . ?
C7 C8 C9 C10 -178.1(6) . . . . ?
C8 C9 C10 C11 179.7(6) . . . . ?
C9 C10 C11 C12 67.6(7) . . . . ?
C10 C11 C12 C13 65.4(7) . . . . ?
C11 C12 C13 C14 176.0(5) . . . . ?
C12 C13 C14 P2 179.7(4) . . . . ?
C28 P2 C14 C13 -77.0(5) . . . . ?
C42 P2 C14 C13 171.7(4) . . . . ?
Au2 P2 C14 C13 45.1(5) . . . . ?
C29 P1 C15 C16 176.3(5) . . . . ?
C1 P1 C15 C16 -77.3(6) . . . . ?
Au1 P1 C15 C16 44.9(6) . . . . ?
P1 C15 C16 C17 161.0(5) . . . . ?
C15 C16 C17 C18 -78.9(8) . . . . ?
C16 C17 C18 C19 171.5(6) . . . . ?
C17 C18 C19 C20 177.1(7) . . . . ?
C18 C19 C20 C21 -176.1(7) . . . . ?
C19 C20 C21 C22 -60.3(10) . . . . ?
C20 C21 C22 C23 -60.6(10) . . . . ?
C21 C22 C23 C24 -172.7(10) . . . . ?
C22 C23 C24 C25 -162.2(10) . . . . ?
C23 C24 C25 C26 -79.5(15) . . . . ?
C24 C25 C26 C27 -159.0(9) . . . . ?
C25 C26 C27 C28 -73.1(11) . . . . ?
C26 C27 C28 P2 -173.9(6) . . . . ?
C42 P2 C28 C27 -85.1(6) . . . . ?
C14 P2 C28 C27 163.8(6) . . . . ?
Au2 P2 C28 C27 39.4(6) . . . . ?
C15 P1 C29 C30 -81.2(6) . . . . ?
C1 P1 C29 C30 172.9(5) . . . . ?
Au1 P1 C29 C30 48.8(6) . . . . ?
P1 C29 C30 C31 63.8(9) . . . . ?
C29 C30 C31 C32 168.4(7) . . . . ?
C30 C31 C32 C33 -62.3(12) . . . . ?
C31 C32 C33 C34 -67.5(13) . . . . ?
C32 C33 C34 C35 -173.1(9) . . . . ?
C33 C34 C35 C36 -156.8(10) . . . . ?
C34 C35 C36 C37 -169.7(7) . . . . ?
C35 C36 C37 C38 -172.2(6) . . . . ?
C36 C37 C38 C39 -64.1(7) . . . . ?
C37 C38 C39 C40 177.1(5) . . . . ?
C38 C39 C40 C41 -73.0(7) . . . . ?
C39 C40 C41 C42 179.7(5) . . . . ?
C40 C41 C42 P2 179.0(4) . . . . ?
C28 P2 C42 C41 -61.3(5) . . . . ?
C14 P2 C42 C41 50.1(5) . . . . ?
Au2 P2 C42 C41 176.7(4) . . . . ?
P1 Au1 C43 C48 -155(9) . . . . ?
P1 Au1 C43 C44 24(10) . . . . ?
C48 C43 C44 C45 2.8(8) . . . . ?
Au1 C43 C44 C45 -176.1(4) . . . . ?
C48 C43 C44 C49 -176.7(5) . . . . ?
Au1 C43 C44 C49 4.5(7) . . . . ?
C43 C44 C45 C46 -0.5(8) . . . . ?
C49 C44 C45 C46 179.0(5) . . . . ?
C44 C45 C46 C47 -1.7(9) . . . . ?
C45 C46 C47 C48 1.3(9) . . . . ?
C46 C47 C48 C43 1.1(8) . . . . ?
C46 C47 C48 C64 -178.9(5) . . . . ?
C44 C43 C48 C47 -3.2(8) . . . . ?
Au1 C43 C48 C47 175.7(4) . . . . ?
C44 C43 C48 C64 176.8(5) . . . . ?
Au1 C43 C48 C64 -4.3(6) . . . . ?
C45 C44 C49 C50 90.6(7) . . . . ?
C43 C44 C49 C50 -89.9(6) . . . . ?
C45 C44 C49 C54 -92.4(7) . . . . ?
C43 C44 C49 C54 87.0(7) . . . . ?
C54 C49 C50 C51 -0.6(8) . . . . ?
C44 C49 C50 C51 176.3(5) . . . . ?
C54 C49 C50 C55 -175.5(5) . . . . ?
C44 C49 C50 C55 1.4(8) . . . . ?
C49 C50 C51 C52 0.4(9) . . . . ?
C55 C50 C51 C52 175.4(5) . . . . ?
C50 C51 C52 C53 -0.3(9) . . . . ?
C50 C51 C52 C58 179.8(6) . . . . ?
C51 C52 C53 C54 0.3(10) . . . . ?
C58 C52 C53 C54 -179.7(6) . . . . ?
C52 C53 C54 C49 -0.5(10) . . . . ?
C52 C53 C54 C61 -176.8(6) . . . . ?
C50 C49 C54 C53 0.7(9) . . . . ?
C44 C49 C54 C53 -176.3(5) . . . . ?
C50 C49 C54 C61 176.8(5) . . . . ?
C44 C49 C54 C61 -0.1(8) . . . . ?
C49 C50 C55 C56 105.5(6) . . . . ?
C51 C50 C55 C56 -69.4(7) . . . . ?
C49 C50 C55 C57 -129.5(6) . . . . ?
C51 C50 C55 C57 55.6(7) . . . . ?
C53 C52 C58 C60 96.6(8) . . . . ?
C51 C52 C58 C60 -83.4(8) . . . . ?
C53 C52 C58 C59 -139.1(7) . . . . ?
C51 C52 C58 C59 40.9(9) . . . . ?
C53 C54 C61 C62 58.2(8) . . . . ?
C49 C54 C61 C62 -117.9(6) . . . . ?
C53 C54 C61 C63 -65.7(8) . . . . ?
C49 C54 C61 C63 118.2(6) . . . . ?
C47 C48 C64 C65 95.3(6) . . . . ?
C43 C48 C64 C65 -84.7(6) . . . . ?
C47 C48 C64 C69 -88.5(7) . . . . ?
C43 C48 C64 C69 91.5(6) . . . . ?
C69 C64 C65 C66 -1.3(8) . . . . ?
C48 C64 C65 C66 174.9(5) . . . . ?
C69 C64 C65 C70 177.6(5) . . . . ?
C48 C64 C65 C70 -6.2(8) . . . . ?
C64 C65 C66 C67 0.6(8) . . . . ?
C70 C65 C66 C67 -178.4(5) . . . . ?
C65 C66 C67 C68 0.9(8) . . . . ?
C65 C66 C67 C73 -179.2(5) . . . . ?
C66 C67 C68 C69 -1.8(8) . . . . ?
C73 C67 C68 C69 178.4(5) . . . . ?
C67 C68 C69 C64 1.0(8) . . . . ?
C67 C68 C69 C76 -176.8(5) . . . . ?
C65 C64 C69 C68 0.5(8) . . . . ?
C48 C64 C69 C68 -175.7(5) . . . . ?
C65 C64 C69 C76 178.3(5) . . . . ?
C48 C64 C69 C76 2.1(8) . . . . ?
C66 C65 C70 C71 70.3(7) . . . . ?
C64 C65 C70 C71 -108.6(6) . . . . ?
C66 C65 C70 C72 -54.2(7) . . . . ?
C64 C65 C70 C72 126.9(6) . . . . ?
C68 C67 C73 C75 -50.2(7) . . . . ?
C66 C67 C73 C75 129.9(6) . . . . ?
C68 C67 C73 C74 76.0(7) . . . . ?
C66 C67 C73 C74 -103.8(7) . . . . ?
C68 C69 C76 C77 58.9(7) . . . . ?
C64 C69 C76 C77 -118.9(6) . . . . ?
C68 C69 C76 C78 -66.2(7) . . . . ?
C64 C69 C76 C78 116.1(6) . . . . ?
P2 Au2 C79 C84 -108(7) . . . . ?
P2 Au2 C79 C80 69(7) . . . . ?
C84 C79 C80 C81 2.4(8) . . . . ?
Au2 C79 C80 C81 -175.0(4) . . . . ?
C84 C79 C80 C100 -178.7(5) . . . . ?
Au2 C79 C80 C100 3.9(7) . . . . ?
C79 C80 C81 C82 -1.0(8) . . . . ?
C100 C80 C81 C82 -179.9(5) . . . . ?
C80 C81 C82 C83 -1.1(8) . . . . ?
C81 C82 C83 C84 1.8(8) . . . . ?
C82 C83 C84 C79 -0.5(8) . . . . ?
C82 C83 C84 C85 -179.7(5) . . . . ?
C80 C79 C84 C83 -1.6(7) . . . . ?
Au2 C79 C84 C83 175.8(4) . . . . ?
C80 C79 C84 C85 177.6(5) . . . . ?
Au2 C79 C84 C85 -4.9(6) . . . . ?
C83 C84 C85 C90 88.0(6) . . . . ?
C79 C84 C85 C90 -91.2(6) . . . . ?
C83 C84 C85 C86 -99.0(6) . . . . ?
C79 C84 C85 C86 81.7(6) . . . . ?
C90 C85 C86 C87 2.2(8) . . . . ?
C84 C85 C86 C87 -170.9(5) . . . . ?
C90 C85 C86 C91 -176.2(5) . . . . ?
C84 C85 C86 C91 10.7(8) . . . . ?
C85 C86 C87 C88 1.0(8) . . . . ?
C91 C86 C87 C88 179.4(5) . . . . ?
C86 C87 C88 C89 -3.7(8) . . . . ?
C86 C87 C88 C94 176.7(5) . . . . ?
C87 C88 C89 C90 3.4(8) . . . . ?
C94 C88 C89 C90 -177.0(5) . . . . ?
C88 C89 C90 C85 -0.3(8) . . . . ?
C88 C89 C90 C97 178.3(5) . . . . ?
C86 C85 C90 C89 -2.5(7) . . . . ?
C84 C85 C90 C89 170.5(5) . . . . ?
C86 C85 C90 C97 179.0(5) . . . . ?
C84 C85 C90 C97 -8.0(7) . . . . ?
C87 C86 C91 C93 -71.8(7) . . . . ?
C85 C86 C91 C93 106.7(6) . . . . ?
C87 C86 C91 C92 52.5(7) . . . . ?
C85 C86 C91 C92 -129.1(6) . . . . ?
C87 C88 C94 C96 -32.5(7) . . . . ?
C89 C88 C94 C96 148.0(5) . . . . ?
C87 C88 C94 C95 93.6(6) . . . . ?
C89 C88 C94 C95 -85.9(6) . . . . ?
C89 C90 C97 C98 63.7(7) . . . . ?
C85 C90 C97 C98 -117.8(6) . . . . ?
C89 C90 C97 C99 -61.2(7) . . . . ?
C85 C90 C97 C99 117.4(6) . . . . ?
C81 C80 C100 C101 93.1(7) . . . . ?
C79 C80 C100 C101 -85.8(7) . . . . ?
C81 C80 C100 C105 -87.0(6) . . . . ?
C79 C80 C100 C105 94.1(6) . . . . ?
C105 C100 C101 C102 -0.3(8) . . . . ?
C80 C100 C101 C102 179.7(5) . . . . ?
C105 C100 C101 C106 178.1(4) . . . . ?
C80 C100 C101 C106 -2.0(8) . . . . ?
C100 C101 C102 C103 -0.4(8) . . . . ?
C106 C101 C102 C103 -178.8(5) . . . . ?
C101 C102 C103 C104 0.6(8) . . . . ?
C101 C102 C103 C109 177.9(5) . . . . ?
C102 C103 C104 C105 0.0(8) . . . . ?
C109 C103 C104 C105 -177.5(5) . . . . ?
C103 C104 C105 C100 -0.7(8) . . . . ?
C103 C104 C105 C112 -179.0(5) . . . . ?
C101 C100 C105 C104 0.8(7) . . . . ?
C80 C100 C105 C104 -179.1(5) . . . . ?
C101 C100 C105 C112 179.1(5) . . . . ?
C80 C100 C105 C112 -0.9(7) . . . . ?
C102 C101 C106 C108 63.4(6) . . . . ?
C100 C101 C106 C108 -115.0(6) . . . . ?
C102 C101 C106 C107 -61.6(6) . . . . ?
C100 C101 C106 C107 120.0(6) . . . . ?
C102 C103 C109 C111 -97.3(6) . . . . ?
C104 C103 C109 C111 80.0(6) . . . . ?
C102 C103 C109 C110 26.6(8) . . . . ?
C104 C103 C109 C110 -156.1(5) . . . . ?
C104 C105 C112 C114 72.3(6) . . . . ?
C100 C105 C112 C114 -106.0(6) . . . . ?
C104 C105 C112 C113 -49.8(6) . . . . ?
C100 C105 C112 C113 131.9(5) . . . . ?
C51E C52E O50E C53E -176.9(6) . . . . ?
C52E O50E C53E C54E 175.4(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        60.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.899
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.079
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dt25
_database_code_depnum_ccdc_archive 'CCDC 1410648'
_audit_update_record             
;
2015-07-03 deposited with the CCDC.
2015-08-28 downloaded from the CCDC.
;


# start Validation Reply Form
_vrf_THETM01_dt25                
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: Data was collected on a Bruker GADDS instrument with 
Cu-source and MWPC (multiwire proportional counter) detector. Under 
these experimental conditions the maximum angle that can be 
collected is 120 degrees two-theta.
;
_vrf_PLAT019_dt25                
;
PROBLEM: _diffrn_measured_fraction_theta_full/_max < 1.0      0.842 Report
RESPONSE: Data was collected on a Bruker GADDS instrument with 
Cu-source and MWPC (multiwire proportional counter) detector
which has geometrical restrictions.
;
# end Validation Reply Form




_audit_creation_date             2014-09-09
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C114 H182 Au2 P2'
_chemical_formula_sum            'C114 H182 Au2 P2'
_chemical_formula_weight         2008.46
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.0821(9)
_cell_length_b                   24.5540(17)
_cell_length_c                   17.7022(13)
_cell_angle_alpha                90
_cell_angle_beta                 108.761(4)
_cell_angle_gamma                90
_cell_volume                     5384.1(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    110.15
_cell_measurement_theta_max      60.599
_cell_measurement_theta_min      3.192
_shelx_estimated_absorpt_T_max   0.946
_shelx_estimated_absorpt_T_min   0.527
_exptl_absorpt_coefficient_mu    5.644
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.5535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1058 before and 0.0653 after correction.
The Ratio of minimum to maximum transmission is 0.7361.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2108
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_Laue_measured_fraction_full 0.832
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36197
_diffrn_reflns_point_group_measured_fraction_full 0.832
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         60.886
_diffrn_reflns_theta_min         3.192
_diffrn_ambient_temperature      110.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.832
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6426
_reflns_number_total             8101
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    ?
_refine_diff_density_max         2.385
_refine_diff_density_min         -1.509
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     602
_refine_ls_number_reflns         8101
_refine_ls_number_restraints     83
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0435
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0794P)²+0.1752P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1228
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C53-C52 \\sim C53-C52A \\sim C46-C45 \\sim C46A-C45
 with sigma of 0.005
3. Uiso/Uaniso restraints and constraints
Uanis(C52) = Uanis(C52A)
4. Rigid body (RIGU) restrains
 C46, C47, C48, C49, C50, C51, C52, C46A, C47A, C48A, C49A, C50A, C51A, C52A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
{C46, C47, C48, C49, C50, C51, C52}
as
{C46A, C47A, C48A, C49A, C50A, C51A, C52A}
6. Others
 Sof(H45C)=Sof(H45D)=Sof(C46A)=Sof(H46C)=Sof(H46D)=Sof(C47A)=Sof(H47C)=
 Sof(H47D)=Sof(C48A)=Sof(H48C)=Sof(H48D)=Sof(C49A)=Sof(H49C)=Sof(H49D)=
 Sof(C50A)=Sof(H50C)=Sof(H50D)=Sof(C51A)=Sof(H51C)=Sof(H51D)=Sof(C52A)=
 Sof(H52C)=Sof(H52D)=Sof(H53C)=Sof(H53D)=1-FVAR(1)
 Sof(H45A)=Sof(H45B)=Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(C47)=Sof(H47A)=Sof(H47B)=
 Sof(C48)=Sof(H48A)=Sof(H48B)=Sof(C49)=Sof(H49A)=Sof(H49B)=Sof(C50)=Sof(H50A)=
 Sof(H50B)=Sof(C51)=Sof(H51A)=Sof(H51B)=Sof(C52)=Sof(H52A)=Sof(H52B)=Sof(H53A)=
 Sof(H53B)=FVAR(1)
7.a Ternary CH refined with riding coordinates:
 C13(H13), C16(H16), C19(H19), C28(H28), C31(H31), C34(H34)
7.b Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B), C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,
 H41B), C42(H42A,H42B), C43(H43A,H43B), C44(H44A,H44B), C45(H45A,H45B),
 C45(H45C,H45D), C46(H46A,H46B), C47(H47A,H47B), C48(H48A,H48B), C49(H49A,H49B),
  C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C46A(H46C,H46D), C47A(H47C,
 H47D), C48A(H48C,H48D), C49A(H49C,H49D), C50A(H50C,H50D), C51A(H51C,H51D),
 C52A(H52C,H52D), C53(H53A,H53B), C53(H53C,H53D), C54(H54A,H54B), C55(H55A,
 H55B), C56(H56A,H56B), C57(H57A,H57B)
7.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C9(H9), C11(H11), C24(H24), C26(H26)
7.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C35(H35A,H35B,H35C),
 C36(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.41472(2) 0.66236(2) 0.85001(2) 0.02966(11) Uani 1 1 d . . . . .
P1 P 0.39152(13) 0.59850(6) 0.75283(9) 0.0346(4) Uani 1 1 d . . . . .
C1 C 0.4382(4) 0.7235(2) 0.9343(3) 0.0235(12) Uani 1 1 d . . . . .
C2 C 0.5382(4) 0.7281(2) 0.9949(3) 0.0278(12) Uani 1 1 d . . . . .
C3 C 0.5552(4) 0.7699(2) 1.0507(3) 0.0279(12) Uani 1 1 d . . . . .
H3 H 0.6226 0.7727 1.0921 0.033 Uiso 1 1 calc R U . . .
C4 C 0.4753(5) 0.8072(3) 1.0463(3) 0.0340(14) Uani 1 1 d . . . . .
H4 H 0.4875 0.8359 1.0840 0.041 Uiso 1 1 calc R U . . .
C5 C 0.3754(4) 0.8026(2) 0.9858(3) 0.0300(13) Uani 1 1 d . . . . .
H5 H 0.3199 0.8283 0.9827 0.036 Uiso 1 1 calc R U . . .
C6 C 0.3573(4) 0.7610(2) 0.9307(3) 0.0263(12) Uani 1 1 d . . . . .
C7 C 0.6267(4) 0.6877(2) 1.0012(3) 0.0278(12) Uani 1 1 d . . . . .
C8 C 0.7074(4) 0.6979(2) 0.9672(3) 0.0293(13) Uani 1 1 d . . . . .
C9 C 0.7887(5) 0.6588(2) 0.9765(4) 0.0337(14) Uani 1 1 d . . . . .
H9 H 0.8452 0.6663 0.9551 0.040 Uiso 1 1 calc R U . . .
C10 C 0.7903(5) 0.6100(2) 1.0153(3) 0.0323(13) Uani 1 1 d . . . . .
C11 C 0.7075(5) 0.6000(2) 1.0461(3) 0.0347(14) Uani 1 1 d . . . . .
H11 H 0.7069 0.5664 1.0726 0.042 Uiso 1 1 calc R U . . .
C12 C 0.6253(5) 0.6373(2) 1.0397(3) 0.0305(13) Uani 1 1 d . . . . .
C13 C 0.7066(5) 0.7490(3) 0.9180(4) 0.0413(16) Uani 1 1 d . . . . .
H13 H 0.6571 0.7759 0.9309 0.050 Uiso 1 1 calc R U . . .
C14 C 0.6599(6) 0.7359(4) 0.8299(5) 0.067(2) Uani 1 1 d . . . . .
H14A H 0.7110 0.7132 0.8138 0.101 Uiso 1 1 calc R U . . .
H14B H 0.6468 0.7698 0.7990 0.101 Uiso 1 1 calc R U . . .
H14C H 0.5917 0.7161 0.8199 0.101 Uiso 1 1 calc R U . . .
C15 C 0.8156(6) 0.7761(3) 0.9359(5) 0.0535(18) Uani 1 1 d . . . . .
H15A H 0.8445 0.7845 0.9930 0.080 Uiso 1 1 calc R U . . .
H15B H 0.8078 0.8099 0.9051 0.080 Uiso 1 1 calc R U . . .
H15C H 0.8652 0.7516 0.9213 0.080 Uiso 1 1 calc R U . . .
C16 C 0.8836(5) 0.5704(2) 1.0257(4) 0.0383(15) Uani 1 1 d . . . . .
H16 H 0.9092 0.5749 0.9786 0.046 Uiso 1 1 calc R U . . .
C17 C 0.9782(5) 0.5842(3) 1.1002(4) 0.0508(18) Uani 1 1 d . . . . .
H17A H 1.0044 0.6209 1.0949 0.076 Uiso 1 1 calc R U . . .
H17B H 1.0366 0.5579 1.1061 0.076 Uiso 1 1 calc R U . . .
H17C H 0.9544 0.5826 1.1472 0.076 Uiso 1 1 calc R U . . .
C18 C 0.8528(6) 0.5108(3) 1.0285(5) 0.0570(19) Uani 1 1 d . . . . .
H18A H 0.8386 0.5035 1.0786 0.085 Uiso 1 1 calc R U . . .
H18B H 0.9122 0.4876 1.0251 0.085 Uiso 1 1 calc R U . . .
H18C H 0.7878 0.5029 0.9834 0.085 Uiso 1 1 calc R U . . .
C19 C 0.5386(5) 0.6241(3) 1.0770(4) 0.0408(15) Uani 1 1 d . . . . .
H19 H 0.4830 0.6535 1.0605 0.049 Uiso 1 1 calc R U . . .
C20 C 0.5843(6) 0.6254(4) 1.1673(4) 0.060(2) Uani 1 1 d . . . . .
H20A H 0.6448 0.5998 1.1854 0.090 Uiso 1 1 calc R U . . .
H20B H 0.5280 0.6149 1.1900 0.090 Uiso 1 1 calc R U . . .
H20C H 0.6097 0.6622 1.1850 0.090 Uiso 1 1 calc R U . . .
C21 C 0.4812(6) 0.5700(3) 1.0466(5) 0.059(2) Uani 1 1 d . . . . .
H21A H 0.4598 0.5689 0.9883 0.088 Uiso 1 1 calc R U . . .
H21B H 0.4170 0.5668 1.0633 0.088 Uiso 1 1 calc R U . . .
H21C H 0.5304 0.5396 1.0689 0.088 Uiso 1 1 calc R U . . .
C22 C 0.2482(4) 0.7572(2) 0.8655(3) 0.0271(12) Uani 1 1 d . . . . .
C23 C 0.1648(4) 0.7258(2) 0.8780(3) 0.0309(13) Uani 1 1 d . . . . .
C24 C 0.0652(5) 0.7236(3) 0.8178(3) 0.0352(14) Uani 1 1 d . . . . .
H24 H 0.0093 0.7022 0.8261 0.042 Uiso 1 1 calc R U . . .
C25 C 0.0445(4) 0.7515(3) 0.7463(4) 0.0351(14) Uani 1 1 d . . . . .
C26 C 0.1287(5) 0.7812(2) 0.7352(4) 0.0352(14) Uani 1 1 d . . . . .
H26 H 0.1170 0.8001 0.6862 0.042 Uiso 1 1 calc R U . . .
C27 C 0.2303(4) 0.7844(2) 0.7935(3) 0.0314(13) Uani 1 1 d . . . . .
C28 C 0.1836(5) 0.6920(3) 0.9537(4) 0.0402(15) Uani 1 1 d . . . . .
H28 H 0.2496 0.7063 0.9953 0.048 Uiso 1 1 calc R U . . .
C29 C 0.2035(6) 0.6319(3) 0.9381(5) 0.061(2) Uani 1 1 d . . . . .
H29A H 0.1387 0.6168 0.8989 0.092 Uiso 1 1 calc R U . . .
H29B H 0.2200 0.6114 0.9881 0.092 Uiso 1 1 calc R U . . .
H29C H 0.2644 0.6294 0.9174 0.092 Uiso 1 1 calc R U . . .
C30 C 0.0910(5) 0.6942(3) 0.9870(4) 0.0492(17) Uani 1 1 d . . . . .
H30A H 0.0701 0.7322 0.9904 0.074 Uiso 1 1 calc R U . . .
H30B H 0.1133 0.6778 1.0403 0.074 Uiso 1 1 calc R U . . .
H30C H 0.0295 0.6739 0.9518 0.074 Uiso 1 1 calc R U . . .
C31 C -0.0665(5) 0.7521(3) 0.6836(4) 0.0400(15) Uani 1 1 d . . . . .
H31 H -0.0567 0.7635 0.6322 0.048 Uiso 1 1 calc R U . . .
C32 C -0.1207(5) 0.6960(3) 0.6699(4) 0.0546(19) Uani 1 1 d . . . . .
H32A H -0.0698 0.6688 0.6626 0.082 Uiso 1 1 calc R U . . .
H32B H -0.1847 0.6971 0.6222 0.082 Uiso 1 1 calc R U . . .
H32C H -0.1423 0.6861 0.7163 0.082 Uiso 1 1 calc R U . . .
C33 C -0.1375(5) 0.7949(3) 0.7044(4) 0.0520(18) Uani 1 1 d . . . . .
H33A H -0.1517 0.7842 0.7535 0.078 Uiso 1 1 calc R U . . .
H33B H -0.2060 0.7978 0.6607 0.078 Uiso 1 1 calc R U . . .
H33C H -0.1005 0.8302 0.7124 0.078 Uiso 1 1 calc R U . . .
C34 C 0.3205(5) 0.8157(3) 0.7736(4) 0.0363(14) Uani 1 1 d . . . . .
H34 H 0.3857 0.8153 0.8224 0.044 Uiso 1 1 calc R U . . .
C35 C 0.2899(6) 0.8752(3) 0.7534(5) 0.0546(19) Uani 1 1 d . . . . .
H35A H 0.2269 0.8771 0.7050 0.082 Uiso 1 1 calc R U . . .
H35B H 0.3506 0.8944 0.7444 0.082 Uiso 1 1 calc R U . . .
H35C H 0.2725 0.8923 0.7977 0.082 Uiso 1 1 calc R U . . .
C36 C 0.3505(5) 0.7879(3) 0.7077(4) 0.0486(17) Uani 1 1 d . . . . .
H36A H 0.3702 0.7499 0.7226 0.073 Uiso 1 1 calc R U . . .
H36B H 0.4120 0.8068 0.6992 0.073 Uiso 1 1 calc R U . . .
H36C H 0.2889 0.7889 0.6583 0.073 Uiso 1 1 calc R U . . .
C37 C 0.3281(6) 0.5359(3) 0.7697(4) 0.0447(16) Uani 1 1 d . . . . .
H37A H 0.3825 0.5152 0.8118 0.054 Uiso 1 1 calc R U . . .
H37B H 0.2698 0.5460 0.7914 0.054 Uiso 1 1 calc R U . . .
C38 C 0.2796(5) 0.4971(3) 0.6997(4) 0.0466(17) Uani 1 1 d . . . . .
H38A H 0.2399 0.4679 0.7171 0.056 Uiso 1 1 calc R U . . .
H38B H 0.2269 0.5174 0.6560 0.056 Uiso 1 1 calc R U . . .
C39 C 0.3622(6) 0.4712(3) 0.6678(4) 0.0515(18) Uani 1 1 d . . . . .
H39A H 0.4161 0.4518 0.7120 0.062 Uiso 1 1 calc R U . . .
H39B H 0.4006 0.5004 0.6494 0.062 Uiso 1 1 calc R U . . .
C40 C 0.3157(7) 0.4311(3) 0.5992(5) 0.062(2) Uani 1 1 d . . . . .
H40A H 0.2699 0.4043 0.6152 0.074 Uiso 1 1 calc R U . . .
H40B H 0.2690 0.4513 0.5524 0.074 Uiso 1 1 calc R U . . .
C41 C 0.4015(7) 0.4006(3) 0.5749(6) 0.069(2) Uani 1 1 d . . . . .
H41A H 0.3659 0.3812 0.5242 0.083 Uiso 1 1 calc R U . . .
H41B H 0.4345 0.3728 0.6160 0.083 Uiso 1 1 calc R U . . .
C42 C 0.4922(7) 0.4368(3) 0.5639(5) 0.068(2) Uani 1 1 d . . . . .
H42A H 0.5317 0.4539 0.6157 0.081 Uiso 1 1 calc R U . . .
H42B H 0.5439 0.4133 0.5486 0.081 Uiso 1 1 calc R U . . .
C43 C 0.4537(6) 0.4813(3) 0.5017(5) 0.0591(19) Uani 1 1 d . . . . .
H43A H 0.3980 0.5035 0.5144 0.071 Uiso 1 1 calc R U . . .
H43B H 0.4199 0.4645 0.4487 0.071 Uiso 1 1 calc R U . . .
C44 C 0.3056(5) 0.6230(3) 0.6565(3) 0.0417(15) Uani 1 1 d . . . . .
H44A H 0.3415 0.6542 0.6401 0.050 Uiso 1 1 calc R U . . .
H44B H 0.2974 0.5937 0.6165 0.050 Uiso 1 1 calc R U . . .
C45 C 0.1935(6) 0.6409(3) 0.6565(4) 0.0483(17) Uani 1 1 d D . . . .
H45A H 0.2023 0.6620 0.7058 0.058 Uiso 0.579(9) 1 calc R U P A 1
H45B H 0.1516 0.6077 0.6592 0.058 Uiso 0.579(9) 1 calc R U P A 1
H45C H 0.1981 0.6739 0.6894 0.058 Uiso 0.421(9) 1 calc R U P A 2
H45D H 0.1578 0.6115 0.6772 0.058 Uiso 0.421(9) 1 calc R U P A 2
C46 C 0.1258(11) 0.6753(5) 0.5849(7) 0.041(3) Uani 0.579(9) 1 d D U P A 1
H46A H 0.1673 0.7080 0.5797 0.049 Uiso 0.579(9) 1 calc R U P A 1
H46B H 0.0588 0.6875 0.5942 0.049 Uiso 0.579(9) 1 calc R U P A 1
C47 C 0.0965(9) 0.6416(5) 0.5064(6) 0.039(3) Uani 0.579(9) 1 d D U P A 1
H47A H 0.0630 0.6662 0.4608 0.047 Uiso 0.579(9) 1 calc R U P A 1
H47B H 0.1638 0.6271 0.4999 0.047 Uiso 0.579(9) 1 calc R U P A 1
C48 C 0.0211(9) 0.5952(4) 0.5033(6) 0.041(3) Uani 0.579(9) 1 d D U P A 1
H48A H -0.0453 0.6093 0.5117 0.049 Uiso 0.579(9) 1 calc R U P A 1
H48B H 0.0556 0.5695 0.5472 0.049 Uiso 0.579(9) 1 calc R U P A 1
C49 C -0.0091(9) 0.5649(5) 0.4246(6) 0.043(3) Uani 0.579(9) 1 d D U P A 1
H49A H -0.0659 0.5379 0.4232 0.052 Uiso 0.579(9) 1 calc R U P A 1
H49B H -0.0398 0.5911 0.3807 0.052 Uiso 0.579(9) 1 calc R U P A 1
C50 C 0.0848(10) 0.5359(5) 0.4107(8) 0.048(3) Uani 0.579(9) 1 d D U P A 1
H50A H 0.1184 0.5114 0.4564 0.058 Uiso 0.579(9) 1 calc R U P A 1
H50B H 0.1396 0.5633 0.4088 0.058 Uiso 0.579(9) 1 calc R U P A 1
C51 C 0.0529(12) 0.5019(6) 0.3322(9) 0.053(4) Uani 0.579(9) 1 d D U P A 1
H51A H 0.0193 0.5267 0.2870 0.063 Uiso 0.579(9) 1 calc R U P A 1
H51B H -0.0028 0.4752 0.3343 0.063 Uiso 0.579(9) 1 calc R U P A 1
C52 C 0.1459(14) 0.4703(13) 0.3140(12) 0.069(6) Uani 0.579(9) 1 d D U P A 1
H52A H 0.2059 0.4962 0.3196 0.082 Uiso 0.579(9) 1 calc R U P A 1
H52B H 0.1726 0.4421 0.3556 0.082 Uiso 0.579(9) 1 calc R U P A 1
C46A C 0.1318(15) 0.6526(7) 0.5680(6) 0.040(5) Uani 0.421(9) 1 d D U P A 2
H46C H 0.1704 0.6824 0.5509 0.047 Uiso 0.421(9) 1 calc R U P A 2
H46D H 0.0599 0.6670 0.5651 0.047 Uiso 0.421(9) 1 calc R U P A 2
C47A C 0.1134(14) 0.6064(7) 0.5052(8) 0.046(5) Uani 0.421(9) 1 d D U P A 2
H47C H 0.1843 0.5947 0.5019 0.056 Uiso 0.421(9) 1 calc R U P A 2
H47D H 0.0808 0.5748 0.5236 0.056 Uiso 0.421(9) 1 calc R U P A 2
C48A C 0.0419(16) 0.6223(7) 0.4231(9) 0.062(5) Uani 0.421(9) 1 d D U P A 2
H48C H 0.0632 0.6590 0.4103 0.075 Uiso 0.421(9) 1 calc R U P A 2
H48D H -0.0336 0.6245 0.4231 0.075 Uiso 0.421(9) 1 calc R U P A 2
C49A C 0.0474(18) 0.5830(7) 0.3588(10) 0.070(5) Uani 0.421(9) 1 d D U P A 2
H49C H -0.0036 0.5950 0.3069 0.084 Uiso 0.421(9) 1 calc R U P A 2
H49D H 0.1210 0.5837 0.3546 0.084 Uiso 0.421(9) 1 calc R U P A 2
C50A C 0.0201(17) 0.5258(7) 0.3755(11) 0.061(5) Uani 0.421(9) 1 d D U P A 2
H50C H -0.0508 0.5257 0.3846 0.073 Uiso 0.421(9) 1 calc R U P A 2
H50D H 0.0749 0.5127 0.4249 0.073 Uiso 0.421(9) 1 calc R U P A 2
C51A C 0.0156(18) 0.4857(10) 0.3045(13) 0.063(5) Uani 0.421(9) 1 d D U P A 2
H51C H -0.0103 0.4493 0.3142 0.076 Uiso 0.421(9) 1 calc R U P A 2
H51D H -0.0336 0.5000 0.2534 0.076 Uiso 0.421(9) 1 calc R U P A 2
C52A C 0.1351(18) 0.4821(18) 0.302(2) 0.069(6) Uani 0.421(9) 1 d D U P A 2
H52C H 0.1615 0.5180 0.2909 0.082 Uiso 0.421(9) 1 calc R U P A 2
H52D H 0.1851 0.4674 0.3524 0.082 Uiso 0.421(9) 1 calc R U P A 2
C53 C 0.1203(6) 0.4423(3) 0.2320(4) 0.059(2) Uani 1 1 d D . . . .
H53A H 0.0850 0.4685 0.1890 0.071 Uiso 0.579(9) 1 calc R U P A 1
H53B H 0.0704 0.4114 0.2285 0.071 Uiso 0.579(9) 1 calc R U P A 1
H53C H 0.0775 0.4606 0.1820 0.071 Uiso 0.421(9) 1 calc R U P A 2
H53D H 0.0782 0.4105 0.2399 0.071 Uiso 0.421(9) 1 calc R U P A 2
C54 C 0.2271(6) 0.4215(3) 0.2222(4) 0.0506(17) Uani 1 1 d . . . . .
H54A H 0.2679 0.4013 0.2709 0.061 Uiso 1 1 calc R U . . .
H54B H 0.2095 0.3957 0.1769 0.061 Uiso 1 1 calc R U . . .
C55 C 0.2982(6) 0.4657(3) 0.2078(5) 0.0561(19) Uani 1 1 d . . . . .
H55A H 0.3212 0.4895 0.2554 0.067 Uiso 1 1 calc R U . . .
H55B H 0.2551 0.4881 0.1622 0.067 Uiso 1 1 calc R U . . .
C56 C 0.3979(6) 0.4455(3) 0.1906(4) 0.0528(18) Uani 1 1 d . . . . .
H56A H 0.4345 0.4769 0.1751 0.063 Uiso 1 1 calc R U . . .
H56B H 0.3757 0.4201 0.1448 0.063 Uiso 1 1 calc R U . . .
C57 C 0.4784(5) 0.4164(3) 0.2627(4) 0.0416(15) Uani 1 1 d . . . . .
H57A H 0.4458 0.3818 0.2727 0.050 Uiso 1 1 calc R U . . .
H57B H 0.4916 0.4396 0.3106 0.050 Uiso 1 1 calc R U . . .


_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 2.2746(15) . ?
Au1 C1 2.070(5) . ?
P1 C37 1.817(7) . ?
P1 C44 1.816(6) . ?
P1 C57 1.846(7) 3_666 ?
C1 C2 1.404(7) . ?
C1 C6 1.387(8) . ?
C2 C3 1.393(8) . ?
C2 C7 1.501(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.402(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.380(8) . ?
C6 C22 1.523(7) . ?
C7 C8 1.396(8) . ?
C7 C12 1.415(8) . ?
C8 C9 1.402(8) . ?
C8 C13 1.526(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(8) . ?
C10 C11 1.382(9) . ?
C10 C16 1.525(8) . ?
C11 H11 0.9500 . ?
C11 C12 1.389(8) . ?
C12 C19 1.520(9) . ?
C13 H13 1.0000 . ?
C13 C14 1.516(11) . ?
C13 C15 1.513(9) . ?
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 H16 1.0000 . ?
C16 C17 1.528(9) . ?
C16 C18 1.523(9) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19 1.0000 . ?
C19 C20 1.517(10) . ?
C19 C21 1.535(10) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.410(8) . ?
C22 C27 1.391(8) . ?
C23 C24 1.394(8) . ?
C23 C28 1.528(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(8) . ?
C25 C26 1.388(8) . ?
C25 C31 1.518(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.398(8) . ?
C27 C34 1.541(8) . ?
C28 H28 1.0000 . ?
C28 C29 1.538(10) . ?
C28 C30 1.508(9) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31 1.0000 . ?
C31 C32 1.534(9) . ?
C31 C33 1.523(10) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34 1.0000 . ?
C34 C35 1.525(9) . ?
C34 C36 1.510(10) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.528(9) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.511(10) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.530(10) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.522(11) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.544(12) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.519(12) . ?
C43 C43 1.536(15) 3_666 ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.531(10) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 H45C 0.9900 . ?
C45 H45D 0.9900 . ?
C45 C46 1.544(8) . ?
C45 C46A 1.542(9) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.555(15) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.498(14) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.514(14) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.508(14) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.559(16) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.561(15) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 C53 1.541(9) . ?
C46A H46C 0.9900 . ?
C46A H46D 0.9900 . ?
C46A C47A 1.552(19) . ?
C47A H47C 0.9900 . ?
C47A H47D 0.9900 . ?
C47A C48A 1.505(16) . ?
C48A H48C 0.9900 . ?
C48A H48D 0.9900 . ?
C48A C49A 1.510(18) . ?
C49A H49C 0.9900 . ?
C49A H49D 0.9900 . ?
C49A C50A 1.501(18) . ?
C50A H50C 0.9900 . ?
C50A H50D 0.9900 . ?
C50A C51A 1.58(2) . ?
C51A H51C 0.9900 . ?
C51A H51D 0.9900 . ?
C51A C52A 1.581(19) . ?
C52A H52C 0.9900 . ?
C52A H52D 0.9900 . ?
C52A C53 1.540(9) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C53 H53C 0.9900 . ?
C53 H53D 0.9900 . ?
C53 C54 1.548(10) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.502(10) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.515(10) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.545(9) . ?
C57 P1 1.846(7) 3_666 ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 P1 176.81(15) . . ?
C37 P1 Au1 114.6(2) . . ?
C37 P1 C57 110.4(3) . 3_666 ?
C44 P1 Au1 111.9(2) . . ?
C44 P1 C37 104.9(3) . . ?
C44 P1 C57 104.3(3) . 3_666 ?
C57 P1 Au1 110.1(2) 3_666 . ?
C2 C1 Au1 119.6(4) . . ?
C6 C1 Au1 120.9(4) . . ?
C6 C1 C2 119.5(5) . . ?
C1 C2 C7 120.8(5) . . ?
C3 C2 C1 119.9(5) . . ?
C3 C2 C7 119.4(5) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(5) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.3(5) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C22 120.6(5) . . ?
C5 C6 C1 120.3(5) . . ?
C5 C6 C22 119.1(5) . . ?
C8 C7 C2 121.4(5) . . ?
C8 C7 C12 119.5(5) . . ?
C12 C7 C2 119.1(5) . . ?
C7 C8 C9 118.5(5) . . ?
C7 C8 C13 121.7(5) . . ?
C9 C8 C13 119.7(5) . . ?
C8 C9 H9 118.6 . . ?
C10 C9 C8 122.9(6) . . ?
C10 C9 H9 118.6 . . ?
C9 C10 C11 117.6(5) . . ?
C9 C10 C16 119.9(6) . . ?
C11 C10 C16 122.4(5) . . ?
C10 C11 H11 118.8 . . ?
C10 C11 C12 122.3(6) . . ?
C12 C11 H11 118.8 . . ?
C7 C12 C19 121.5(5) . . ?
C11 C12 C7 119.1(5) . . ?
C11 C12 C19 119.3(5) . . ?
C8 C13 H13 107.4 . . ?
C14 C13 C8 109.8(6) . . ?
C14 C13 H13 107.4 . . ?
C15 C13 C8 114.2(5) . . ?
C15 C13 H13 107.4 . . ?
C15 C13 C14 110.5(6) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C10 C16 H16 107.3 . . ?
C10 C16 C17 111.0(5) . . ?
C17 C16 H16 107.3 . . ?
C18 C16 C10 114.1(5) . . ?
C18 C16 H16 107.3 . . ?
C18 C16 C17 109.6(6) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C12 C19 H19 107.1 . . ?
C12 C19 C21 112.5(6) . . ?
C20 C19 C12 110.9(5) . . ?
C20 C19 H19 107.1 . . ?
C20 C19 C21 111.7(6) . . ?
C21 C19 H19 107.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C6 119.9(5) . . ?
C27 C22 C6 120.4(5) . . ?
C27 C22 C23 119.7(5) . . ?
C22 C23 C28 121.4(5) . . ?
C24 C23 C22 118.8(5) . . ?
C24 C23 C28 119.8(5) . . ?
C23 C24 H24 118.7 . . ?
C25 C24 C23 122.6(6) . . ?
C25 C24 H24 118.7 . . ?
C24 C25 C26 117.3(5) . . ?
C24 C25 C31 122.2(5) . . ?
C26 C25 C31 120.5(5) . . ?
C25 C26 H26 118.9 . . ?
C25 C26 C27 122.3(6) . . ?
C27 C26 H26 118.9 . . ?
C22 C27 C26 119.3(5) . . ?
C22 C27 C34 122.3(5) . . ?
C26 C27 C34 118.3(5) . . ?
C23 C28 H28 108.2 . . ?
C23 C28 C29 110.6(5) . . ?
C29 C28 H28 108.2 . . ?
C30 C28 C23 113.6(5) . . ?
C30 C28 H28 108.2 . . ?
C30 C28 C29 107.9(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C25 C31 H31 107.2 . . ?
C25 C31 C32 113.0(5) . . ?
C25 C31 C33 110.2(5) . . ?
C32 C31 H31 107.2 . . ?
C33 C31 H31 107.2 . . ?
C33 C31 C32 111.8(6) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C27 C34 H34 107.5 . . ?
C35 C34 C27 111.7(5) . . ?
C35 C34 H34 107.5 . . ?
C36 C34 C27 111.0(5) . . ?
C36 C34 H34 107.5 . . ?
C36 C34 C35 111.5(5) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P1 C37 H37A 107.5 . . ?
P1 C37 H37B 107.5 . . ?
H37A C37 H37B 107.0 . . ?
C38 C37 P1 119.1(5) . . ?
C38 C37 H37A 107.5 . . ?
C38 C37 H37B 107.5 . . ?
C37 C38 H38A 108.8 . . ?
C37 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
C39 C38 C37 113.9(6) . . ?
C39 C38 H38A 108.8 . . ?
C39 C38 H38B 108.8 . . ?
C38 C39 H39A 108.6 . . ?
C38 C39 H39B 108.6 . . ?
C38 C39 C40 114.7(6) . . ?
H39A C39 H39B 107.6 . . ?
C40 C39 H39A 108.6 . . ?
C40 C39 H39B 108.6 . . ?
C39 C40 H40A 108.8 . . ?
C39 C40 H40B 108.8 . . ?
H40A C40 H40B 107.7 . . ?
C41 C40 C39 113.6(7) . . ?
C41 C40 H40A 108.8 . . ?
C41 C40 H40B 108.8 . . ?
C40 C41 H41A 108.6 . . ?
C40 C41 H41B 108.6 . . ?
C40 C41 C42 114.8(7) . . ?
H41A C41 H41B 107.6 . . ?
C42 C41 H41A 108.6 . . ?
C42 C41 H41B 108.6 . . ?
C41 C42 H42A 108.6 . . ?
C41 C42 H42B 108.6 . . ?
H42A C42 H42B 107.6 . . ?
C43 C42 C41 114.6(7) . . ?
C43 C42 H42A 108.6 . . ?
C43 C42 H42B 108.6 . . ?
C42 C43 C43 112.1(8) . 3_666 ?
C42 C43 H43A 109.2 . . ?
C42 C43 H43B 109.2 . . ?
C43 C43 H43A 109.2 3_666 . ?
C43 C43 H43B 109.2 3_666 . ?
H43A C43 H43B 107.9 . . ?
P1 C44 H44A 108.9 . . ?
P1 C44 H44B 108.9 . . ?
H44A C44 H44B 107.7 . . ?
C45 C44 P1 113.5(4) . . ?
C45 C44 H44A 108.9 . . ?
C45 C44 H44B 108.9 . . ?
C44 C45 H45A 108.1 . . ?
C44 C45 H45B 108.1 . . ?
C44 C45 H45C 111.0 . . ?
C44 C45 H45D 111.0 . . ?
C44 C45 C46 117.0(8) . . ?
C44 C45 C46A 104.0(9) . . ?
H45A C45 H45B 107.3 . . ?
H45C C45 H45D 109.0 . . ?
C46 C45 H45A 108.1 . . ?
C46 C45 H45B 108.1 . . ?
C46A C45 H45C 111.0 . . ?
C46A C45 H45D 111.0 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 C47 110.7(9) . . ?
H46A C46 H46B 108.1 . . ?
C47 C46 H46A 109.5 . . ?
C47 C46 H46B 109.5 . . ?
C46 C47 H47A 108.7 . . ?
C46 C47 H47B 108.7 . . ?
H47A C47 H47B 107.6 . . ?
C48 C47 C46 114.0(10) . . ?
C48 C47 H47A 108.7 . . ?
C48 C47 H47B 108.7 . . ?
C47 C48 H48A 109.1 . . ?
C47 C48 H48B 109.1 . . ?
C47 C48 C49 112.4(9) . . ?
H48A C48 H48B 107.9 . . ?
C49 C48 H48A 109.1 . . ?
C49 C48 H48B 109.1 . . ?
C48 C49 H49A 108.9 . . ?
C48 C49 H49B 108.9 . . ?
H49A C49 H49B 107.7 . . ?
C50 C49 C48 113.4(9) . . ?
C50 C49 H49A 108.9 . . ?
C50 C49 H49B 108.9 . . ?
C49 C50 H50A 108.9 . . ?
C49 C50 H50B 108.9 . . ?
C49 C50 C51 113.6(10) . . ?
H50A C50 H50B 107.7 . . ?
C51 C50 H50A 108.9 . . ?
C51 C50 H50B 108.9 . . ?
C50 C51 H51A 108.1 . . ?
C50 C51 H51B 108.1 . . ?
C50 C51 C52 116.6(11) . . ?
H51A C51 H51B 107.3 . . ?
C52 C51 H51A 108.1 . . ?
C52 C51 H51B 108.1 . . ?
C51 C52 H52A 107.8 . . ?
C51 C52 H52B 107.8 . . ?
H52A C52 H52B 107.2 . . ?
C53 C52 C51 117.9(12) . . ?
C53 C52 H52A 107.8 . . ?
C53 C52 H52B 107.8 . . ?
C45 C46A H46C 107.3 . . ?
C45 C46A H46D 107.3 . . ?
C45 C46A C47A 120.1(12) . . ?
H46C C46A H46D 106.9 . . ?
C47A C46A H46C 107.3 . . ?
C47A C46A H46D 107.3 . . ?
C46A C47A H47C 108.7 . . ?
C46A C47A H47D 108.7 . . ?
H47C C47A H47D 107.6 . . ?
C48A C47A C46A 114.1(13) . . ?
C48A C47A H47C 108.7 . . ?
C48A C47A H47D 108.7 . . ?
C47A C48A H48C 108.9 . . ?
C47A C48A H48D 108.9 . . ?
C47A C48A C49A 113.4(14) . . ?
H48C C48A H48D 107.7 . . ?
C49A C48A H48C 108.9 . . ?
C49A C48A H48D 108.9 . . ?
C48A C49A H49C 109.2 . . ?
C48A C49A H49D 109.2 . . ?
H49C C49A H49D 107.9 . . ?
C50A C49A C48A 112.1(14) . . ?
C50A C49A H49C 109.2 . . ?
C50A C49A H49D 109.2 . . ?
C49A C50A H50C 109.2 . . ?
C49A C50A H50D 109.2 . . ?
C49A C50A C51A 112.1(15) . . ?
H50C C50A H50D 107.9 . . ?
C51A C50A H50C 109.2 . . ?
C51A C50A H50D 109.2 . . ?
C50A C51A H51C 110.6 . . ?
C50A C51A H51D 110.6 . . ?
H51C C51A H51D 108.7 . . ?
C52A C51A C50A 105.8(14) . . ?
C52A C51A H51C 110.6 . . ?
C52A C51A H51D 110.6 . . ?
C51A C52A H52C 111.6 . . ?
C51A C52A H52D 111.6 . . ?
H52C C52A H52D 109.4 . . ?
C53 C52A C51A 100.9(13) . . ?
C53 C52A H52C 111.6 . . ?
C53 C52A H52D 111.6 . . ?
C52 C53 H53A 109.9 . . ?
C52 C53 H53B 109.9 . . ?
C52 C53 C54 108.8(8) . . ?
C52A C53 H53C 108.6 . . ?
C52A C53 H53D 108.6 . . ?
C52A C53 C54 114.5(10) . . ?
H53A C53 H53B 108.3 . . ?
H53C C53 H53D 107.6 . . ?
C54 C53 H53A 109.9 . . ?
C54 C53 H53B 109.9 . . ?
C54 C53 H53C 108.6 . . ?
C54 C53 H53D 108.6 . . ?
C53 C54 H54A 108.7 . . ?
C53 C54 H54B 108.7 . . ?
H54A C54 H54B 107.6 . . ?
C55 C54 C53 114.3(6) . . ?
C55 C54 H54A 108.7 . . ?
C55 C54 H54B 108.7 . . ?
C54 C55 H55A 108.6 . . ?
C54 C55 H55B 108.6 . . ?
C54 C55 C56 114.8(6) . . ?
H55A C55 H55B 107.6 . . ?
C56 C55 H55A 108.6 . . ?
C56 C55 H55B 108.6 . . ?
C55 C56 H56A 109.0 . . ?
C55 C56 H56B 109.0 . . ?
C55 C56 C57 112.8(6) . . ?
H56A C56 H56B 107.8 . . ?
C57 C56 H56A 109.0 . . ?
C57 C56 H56B 109.0 . . ?
P1 C57 H57A 109.1 3_666 . ?
P1 C57 H57B 109.1 3_666 . ?
C56 C57 P1 112.6(5) . 3_666 ?
C56 C57 H57A 109.1 . . ?
C56 C57 H57B 109.1 . . ?
H57A C57 H57B 107.8 . . ?

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
Au1 P1 C37 C38 162.9(5) . . . . ?
Au1 P1 C44 C45 -58.0(5) . . . . ?
Au1 C1 C2 C3 178.6(4) . . . . ?
Au1 C1 C2 C7 -2.7(7) . . . . ?
Au1 C1 C6 C5 -177.8(4) . . . . ?
Au1 C1 C6 C22 1.3(7) . . . . ?
P1 C37 C38 C39 66.2(7) . . . . ?
P1 C44 C45 C46 165.0(7) . . . . ?
P1 C44 C45 C46A -173.0(8) . . . . ?
C1 C2 C3 C4 -1.0(8) . . . . ?
C1 C2 C7 C8 95.3(7) . . . . ?
C1 C2 C7 C12 -82.0(7) . . . . ?
C1 C6 C22 C23 89.5(7) . . . . ?
C1 C6 C22 C27 -90.3(7) . . . . ?
C2 C1 C6 C5 0.5(8) . . . . ?
C2 C1 C6 C22 179.7(5) . . . . ?
C2 C3 C4 C5 0.9(9) . . . . ?
C2 C7 C8 C9 179.0(5) . . . . ?
C2 C7 C8 C13 -3.4(8) . . . . ?
C2 C7 C12 C11 -179.6(5) . . . . ?
C2 C7 C12 C19 -2.1(8) . . . . ?
C3 C2 C7 C8 -86.0(7) . . . . ?
C3 C2 C7 C12 96.7(6) . . . . ?
C3 C4 C5 C6 -0.1(9) . . . . ?
C4 C5 C6 C1 -0.6(9) . . . . ?
C4 C5 C6 C22 -179.7(5) . . . . ?
C5 C6 C22 C23 -91.3(7) . . . . ?
C5 C6 C22 C27 88.9(7) . . . . ?
C6 C1 C2 C3 0.3(8) . . . . ?
C6 C1 C2 C7 178.9(5) . . . . ?
C6 C22 C23 C24 179.1(5) . . . . ?
C6 C22 C23 C28 -4.3(9) . . . . ?
C6 C22 C27 C26 -178.7(5) . . . . ?
C6 C22 C27 C34 4.6(9) . . . . ?
C7 C2 C3 C4 -179.7(5) . . . . ?
C7 C8 C9 C10 2.3(9) . . . . ?
C7 C8 C13 C14 -98.4(7) . . . . ?
C7 C8 C13 C15 136.9(6) . . . . ?
C7 C12 C19 C20 -107.6(7) . . . . ?
C7 C12 C19 C21 126.5(6) . . . . ?
C8 C7 C12 C11 3.0(8) . . . . ?
C8 C7 C12 C19 -179.5(5) . . . . ?
C8 C9 C10 C11 -0.2(9) . . . . ?
C8 C9 C10 C16 -177.8(5) . . . . ?
C9 C8 C13 C14 79.2(7) . . . . ?
C9 C8 C13 C15 -45.5(8) . . . . ?
C9 C10 C11 C12 -0.5(9) . . . . ?
C9 C10 C16 C17 85.5(7) . . . . ?
C9 C10 C16 C18 -150.2(6) . . . . ?
C10 C11 C12 C7 -0.9(9) . . . . ?
C10 C11 C12 C19 -178.4(6) . . . . ?
C11 C10 C16 C17 -92.0(7) . . . . ?
C11 C10 C16 C18 32.4(9) . . . . ?
C11 C12 C19 C20 69.9(8) . . . . ?
C11 C12 C19 C21 -56.0(8) . . . . ?
C12 C7 C8 C9 -3.7(8) . . . . ?
C12 C7 C8 C13 173.9(5) . . . . ?
C13 C8 C9 C10 -175.3(6) . . . . ?
C16 C10 C11 C12 177.0(5) . . . . ?
C22 C23 C24 C25 -0.6(10) . . . . ?
C22 C23 C28 C29 -99.2(7) . . . . ?
C22 C23 C28 C30 139.2(6) . . . . ?
C22 C27 C34 C35 -123.4(6) . . . . ?
C22 C27 C34 C36 111.6(6) . . . . ?
C23 C22 C27 C26 1.5(9) . . . . ?
C23 C22 C27 C34 -175.3(5) . . . . ?
C23 C24 C25 C26 1.8(10) . . . . ?
C23 C24 C25 C31 -175.5(6) . . . . ?
C24 C23 C28 C29 77.3(7) . . . . ?
C24 C23 C28 C30 -44.3(9) . . . . ?
C24 C25 C26 C27 -1.3(10) . . . . ?
C24 C25 C31 C32 -43.7(9) . . . . ?
C24 C25 C31 C33 82.1(8) . . . . ?
C25 C26 C27 C22 -0.3(9) . . . . ?
C25 C26 C27 C34 176.6(6) . . . . ?
C26 C25 C31 C32 139.1(6) . . . . ?
C26 C25 C31 C33 -95.0(7) . . . . ?
C26 C27 C34 C35 59.9(8) . . . . ?
C26 C27 C34 C36 -65.2(7) . . . . ?
C27 C22 C23 C24 -1.0(9) . . . . ?
C27 C22 C23 C28 175.5(6) . . . . ?
C28 C23 C24 C25 -177.2(6) . . . . ?
C31 C25 C26 C27 176.0(6) . . . . ?
C37 P1 C44 C45 66.9(6) . . . . ?
C37 C38 C39 C40 178.5(6) . . . . ?
C38 C39 C40 C41 -173.0(7) . . . . ?
C39 C40 C41 C42 -47.4(10) . . . . ?
C40 C41 C42 C43 -58.8(10) . . . . ?
C41 C42 C43 C43 175.4(8) . . . 3_666 ?
C44 P1 C37 C38 39.8(6) . . . . ?
C44 C45 C46 C47 65.1(12) . . . . ?
C44 C45 C46A C47A 61.3(17) . . . . ?
C45 C46 C47 C48 66.9(14) . . . . ?
C45 C46A C47A C48A 173.7(16) . . . . ?
C46 C47 C48 C49 177.6(9) . . . . ?
C47 C48 C49 C50 65.8(14) . . . . ?
C48 C49 C50 C51 176.5(11) . . . . ?
C49 C50 C51 C52 -179.6(18) . . . . ?
C50 C51 C52 C53 -172.2(19) . . . . ?
C51 C52 C53 C54 171.3(19) . . . . ?
C52 C53 C54 C55 -72.9(16) . . . . ?
C46A C47A C48A C49A 165.2(17) . . . . ?
C47A C48A C49A C50A 57(2) . . . . ?
C48A C49A C50A C51A 174.9(16) . . . . ?
C49A C50A C51A C52A 66(3) . . . . ?
C50A C51A C52A C53 180(2) . . . . ?
C51A C52A C53 C54 -169.8(18) . . . . ?
C52A C53 C54 C55 -60(2) . . . . ?
C53 C54 C55 C56 -174.7(6) . . . . ?
C54 C55 C56 C57 -65.9(9) . . . . ?
C55 C56 C57 P1 -171.0(5) . . . 3_666 ?
C57 P1 C37 C38 -72.1(6) 3_666 . . . ?
C57 P1 C44 C45 -177.0(5) 3_666 . . . ?

