# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_hh94JT43_0m
_database_code_depnum_ccdc_archive 'CCDC 1921501'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H51 Au B2 P2'
_chemical_formula_weight         836.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

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                   13.6605(2)
_cell_length_b                   18.5231(3)
_cell_length_c                   14.7583(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.9128(5)
_cell_angle_gamma                90
_cell_volume                     3698.81(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9471
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      38.07

_exptl_crystal_description       'needle frag'
_exptl_crystal_colour            grey
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_F_000             1688
_exptl_transmission_factor_min   0.454
_exptl_transmission_factor_max   0.748
_exptl_crystal_size_max          0.508
_exptl_crystal_size_mid          0.221
_exptl_crystal_size_min          0.162
_exptl_absorpt_coefficient_mu    4.093
_shelx_estimated_absorpt_T_min   0.230
_shelx_estimated_absorpt_T_max   0.557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            236591
_diffrn_reflns_av_unetI/netI     0.0132
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.775
_diffrn_reflns_theta_max         34.336
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             15490
_reflns_number_gt                14017
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0196P)²+1.6660P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15490
_refine_ls_number_parameters     435
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0161
_refine_ls_wR_factor_ref         0.0386
_refine_ls_wR_factor_gt          0.0373
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.72116(2) 0.86405(2) 0.77638(2) 0.01086(1) Uani 1 1 d . . . . .
B1 B 0.59667(9) 0.94709(7) 0.85106(8) 0.0133(2) Uani 1 1 d . . . . .
C1 C 0.68926(8) 0.95314(6) 0.92545(7) 0.01249(17) Uani 1 1 d . . . . .
C2 C 0.69429(8) 0.91553(6) 1.00983(7) 0.01496(19) Uani 1 1 d . . . . .
H2 H 0.6398 0.8866 1.0212 0.018 Uiso 1 1 calc R U . . .
C3 C 0.77643(9) 0.91985(7) 1.07590(8) 0.0173(2) Uani 1 1 d . . . . .
H3 H 0.7781 0.8943 1.1319 0.021 Uiso 1 1 calc R U . . .
C4 C 0.85700(9) 0.96214(7) 1.05941(8) 0.0172(2) Uani 1 1 d . . . . .
H4 H 0.9141 0.9649 1.1040 0.021 Uiso 1 1 calc R U . . .
C5 C 0.85329(8) 1.00000(7) 0.97781(7) 0.01531(19) Uani 1 1 d . . . . .
H5 H 0.9083 1.0289 0.9681 0.018 Uiso 1 1 calc R U . . .
C6 C 0.77080(8) 0.99718(6) 0.90871(7) 0.01277(18) Uani 1 1 d . . . . .
B2 B 0.76698(10) 1.04857(7) 0.82018(9) 0.0152(2) Uani 1 1 d . . . . .
H2A H 0.7566(13) 1.1145(9) 0.8525(11) 0.018 Uiso 1 1 d . U . . .
C7 C 0.67075(9) 1.03612(6) 0.74492(8) 0.01502(19) Uani 1 1 d . . . . .
C8 C 0.66196(10) 1.07291(7) 0.66018(8) 0.0206(2) Uani 1 1 d . . . . .
H8 H 0.7160 1.1011 0.6462 0.025 Uiso 1 1 calc R U . . .
C9 C 0.57692(11) 1.06912(7) 0.59680(9) 0.0233(2) Uani 1 1 d . . . . .
H9 H 0.5742 1.0937 0.5400 0.028 Uiso 1 1 calc R U . . .
C10 C 0.49552(10) 1.02937(7) 0.61610(9) 0.0223(2) Uani 1 1 d . . . . .
H10 H 0.4365 1.0281 0.5738 0.027 Uiso 1 1 calc R U . . .
C11 C 0.50206(9) 0.99183(7) 0.69774(8) 0.0184(2) Uani 1 1 d . . . . .
H11 H 0.4469 0.9644 0.7108 0.022 Uiso 1 1 calc R U . . .
C12 C 0.58900(8) 0.99329(6) 0.76251(7) 0.01437(19) Uani 1 1 d . . . . .
C13 C 0.50514(8) 0.89811(6) 0.86840(7) 0.01315(18) Uani 1 1 d . . . . .
C14 C 0.49393(7) 0.82530(6) 0.84100(7) 0.01135(17) Uani 1 1 d . . . . .
C15 C 0.41400(8) 0.78369(7) 0.86154(8) 0.01509(19) Uani 1 1 d . . . . .
H15 H 0.4086 0.7344 0.8436 0.018 Uiso 1 1 calc R U . . .
C16 C 0.34261(8) 0.81477(8) 0.90823(8) 0.0192(2) Uani 1 1 d . . . . .
H16 H 0.2885 0.7867 0.9225 0.023 Uiso 1 1 calc R U . . .
C17 C 0.35072(9) 0.88697(8) 0.93393(9) 0.0210(2) Uani 1 1 d . . . . .
H17 H 0.3016 0.9085 0.9648 0.025 Uiso 1 1 calc R U . . .
C18 C 0.43085(9) 0.92774(7) 0.91441(8) 0.0192(2) Uani 1 1 d . . . . .
H18 H 0.4355 0.9769 0.9326 0.023 Uiso 1 1 calc R U . . .
P1 P 0.59114(2) 0.78556(2) 0.78486(2) 0.00985(4) Uani 1 1 d . . . . .
C19 C 0.62686(8) 0.70432(6) 0.85335(8) 0.01379(18) Uani 1 1 d . . . . .
H19 H 0.5659 0.6746 0.8546 0.017 Uiso 1 1 calc R U . . .
C20 C 0.70141(10) 0.65792(7) 0.81108(10) 0.0219(2) Uani 1 1 d . . . . .
H20A H 0.7607 0.6865 0.8057 0.033 Uiso 1 1 calc R U . . .
H20B H 0.6718 0.6416 0.7503 0.033 Uiso 1 1 calc R U . . .
H20C H 0.7195 0.6159 0.8502 0.033 Uiso 1 1 calc R U . . .
C21 C 0.66560(9) 0.72522(7) 0.95188(8) 0.0198(2) Uani 1 1 d . . . . .
H21A H 0.6756 0.6816 0.9895 0.030 Uiso 1 1 calc R U . . .
H21B H 0.6175 0.7566 0.9759 0.030 Uiso 1 1 calc R U . . .
H21C H 0.7285 0.7509 0.9534 0.030 Uiso 1 1 calc R U . . .
C22 C 0.54039(8) 0.75163(6) 0.67040(7) 0.01400(18) Uani 1 1 d . . . . .
H22 H 0.5978 0.7330 0.6420 0.017 Uiso 1 1 calc R U . . .
C23 C 0.49651(9) 0.81395(7) 0.61007(8) 0.0190(2) Uani 1 1 d . . . . .
H23A H 0.4774 0.7966 0.5474 0.029 Uiso 1 1 calc R U . . .
H23B H 0.5458 0.8524 0.6102 0.029 Uiso 1 1 calc R U . . .
H23C H 0.4381 0.8328 0.6340 0.029 Uiso 1 1 calc R U . . .
C24 C 0.46682(10) 0.68899(7) 0.66898(9) 0.0227(2) Uani 1 1 d . . . . .
H24A H 0.4059 0.7062 0.6898 0.034 Uiso 1 1 calc R U . . .
H24B H 0.4958 0.6505 0.7097 0.034 Uiso 1 1 calc R U . . .
H24C H 0.4518 0.6702 0.6065 0.034 Uiso 1 1 calc R U . . .
C25 C 0.86811(9) 1.05154(6) 0.77256(7) 0.01545(19) Uani 1 1 d . . . . .
C26 C 0.91869(8) 0.99219(6) 0.74080(7) 0.01390(18) Uani 1 1 d . . . . .
C27 C 1.00384(9) 1.00179(7) 0.69780(8) 0.0194(2) Uani 1 1 d . . . . .
H27 H 1.0373 0.9607 0.6790 0.023 Uiso 1 1 calc R U . . .
C28 C 1.03934(10) 1.06981(8) 0.68260(9) 0.0244(3) Uani 1 1 d . . . . .
H28 H 1.0965 1.0758 0.6532 0.029 Uiso 1 1 calc R U . . .
C29 C 0.99017(12) 1.12903(8) 0.71095(10) 0.0266(3) Uani 1 1 d . . . . .
H29 H 1.0127 1.1763 0.6998 0.032 Uiso 1 1 calc R U . . .
C30 C 0.90789(11) 1.11977(7) 0.75573(9) 0.0222(2) Uani 1 1 d . . . . .
H30 H 0.8769 1.1615 0.7760 0.027 Uiso 1 1 calc R U . . .
P2 P 0.88136(2) 0.89893(2) 0.75590(2) 0.01092(5) Uani 1 1 d . . . . .
C31 C 0.91380(9) 0.85107(7) 0.65379(8) 0.0168(2) Uani 1 1 d . . . . .
H31 H 0.9873 0.8511 0.6562 0.020 Uiso 1 1 calc R U . . .
C32 C 0.86799(11) 0.88958(8) 0.56610(8) 0.0238(3) Uani 1 1 d . . . . .
H32A H 0.8757 0.8594 0.5130 0.036 Uiso 1 1 calc R U . . .
H32B H 0.9014 0.9359 0.5609 0.036 Uiso 1 1 calc R U . . .
H32C H 0.7976 0.8981 0.5684 0.036 Uiso 1 1 calc R U . . .
C33 C 0.87777(11) 0.77265(7) 0.65298(9) 0.0231(2) Uani 1 1 d . . . . .
H33A H 0.8054 0.7718 0.6429 0.035 Uiso 1 1 calc R U . . .
H33B H 0.9017 0.7499 0.7118 0.035 Uiso 1 1 calc R U . . .
H33C H 0.9033 0.7462 0.6037 0.035 Uiso 1 1 calc R U . . .
C34 C 0.96872(8) 0.87067(6) 0.85832(8) 0.01430(19) Uani 1 1 d . . . . .
H34 H 0.9781 0.9144 0.8983 0.017 Uiso 1 1 calc R U . . .
C35 C 1.07201(9) 0.85043(8) 0.83820(9) 0.0219(2) Uani 1 1 d . . . . .
H35A H 1.1150 0.8413 0.8958 0.033 Uiso 1 1 calc R U . . .
H35B H 1.0992 0.8902 0.8056 0.033 Uiso 1 1 calc R U . . .
H35C H 1.0680 0.8068 0.8002 0.033 Uiso 1 1 calc R U . . .
C36 C 0.92605(9) 0.81292(7) 0.91588(8) 0.0185(2) Uani 1 1 d . . . . .
H36A H 0.9121 0.7691 0.8792 0.028 Uiso 1 1 calc R U . . .
H36B H 0.8648 0.8308 0.9354 0.028 Uiso 1 1 calc R U . . .
H36C H 0.9740 0.8019 0.9698 0.028 Uiso 1 1 calc R U . . .
C1T C 0.24332(11) 0.62038(10) 0.16965(11) 0.0323(3) Uani 1 1 d . . . . .
H1T H 0.2760 0.6015 0.2256 0.039 Uiso 1 1 calc R U . . .
C2T C 0.22156(10) 0.69303(10) 0.16195(10) 0.0286(3) Uani 1 1 d . . . . .
H2T H 0.2395 0.7241 0.2128 0.034 Uiso 1 1 calc R U . . .
C3T C 0.17366(12) 0.72111(9) 0.08057(10) 0.0296(3) Uani 1 1 d . . . . .
H3T H 0.1595 0.7713 0.0753 0.035 Uiso 1 1 calc R U . . .
C4T C 0.14658(13) 0.67532(9) 0.00682(10) 0.0331(3) Uani 1 1 d . . . . .
H4T H 0.1130 0.6942 -0.0487 0.040 Uiso 1 1 calc R U . . .
C5T C 0.16825(13) 0.60220(9) 0.01369(11) 0.0332(3) Uani 1 1 d . . . . .
H5T H 0.1498 0.5711 -0.0369 0.040 Uiso 1 1 calc R U . . .
C6T C 0.21725(12) 0.57483(9) 0.09524(12) 0.0334(3) Uani 1 1 d . . . . .
H6T H 0.2330 0.5249 0.1002 0.040 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 2.3121(3) . ?
Au1 P2 2.3409(3) . ?
Au1 B1 2.6437(12) . ?
B1 C12 1.5536(17) . ?
B1 C1 1.5606(16) . ?
B1 C13 1.5938(17) . ?
C1 C2 1.4203(15) . ?
C1 C6 1.4293(16) . ?
C2 C3 1.3838(16) . ?
C2 H2 0.9500 . ?
C3 C4 1.3993(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.3885(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.4128(15) . ?
C5 H5 0.9500 . ?
C6 B2 1.6115(17) . ?
B2 C7 1.6165(18) . ?
B2 C25 1.6349(18) . ?
B2 H2A 1.326(17) . ?
C7 C8 1.4147(16) . ?
C7 C12 1.4225(17) . ?
C8 C9 1.3894(18) . ?
C8 H8 0.9500 . ?
C9 C10 1.395(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.3834(18) . ?
C10 H10 0.9500 . ?
C11 C12 1.4187(16) . ?
C11 H11 0.9500 . ?
C13 C18 1.4077(16) . ?
C13 C14 1.4104(16) . ?
C14 C15 1.4033(15) . ?
C14 P1 1.8151(10) . ?
C15 C16 1.3938(16) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.3921(19) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
P1 C19 1.8408(11) . ?
P1 C22 1.8457(11) . ?
C19 C21 1.5272(17) . ?
C19 C20 1.5298(17) . ?
C19 H19 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 1.5289(16) . ?
C22 C24 1.5332(17) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.4113(17) . ?
C25 C26 1.4124(17) . ?
C26 C27 1.4109(16) . ?
C26 P2 1.8235(12) . ?
C27 C28 1.3795(18) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.391(2) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
P2 C31 1.8540(12) . ?
P2 C34 1.8672(11) . ?
C31 C33 1.5331(18) . ?
C31 C32 1.5337(18) . ?
C31 H31 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 1.5281(17) . ?
C34 C36 1.5302(16) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C1T C2T 1.380(2) . ?
C1T C6T 1.392(2) . ?
C1T H1T 0.9500 . ?
C2T C3T 1.387(2) . ?
C2T H2T 0.9500 . ?
C3T C4T 1.389(2) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.387(2) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.390(2) . ?
C5T H5T 0.9500 . ?
C6T H6T 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 P2 156.831(10) . . ?
P1 Au1 B1 78.48(3) . . ?
P2 Au1 B1 124.03(3) . . ?
C12 B1 C1 120.43(10) . . ?
C12 B1 C13 119.02(10) . . ?
C1 B1 C13 120.38(10) . . ?
C12 B1 Au1 86.71(7) . . ?
C1 B1 Au1 80.18(6) . . ?
C13 B1 Au1 107.44(7) . . ?
C2 C1 C6 119.13(10) . . ?
C2 C1 B1 121.22(10) . . ?
C6 C1 B1 119.66(10) . . ?
C3 C2 C1 121.75(11) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C2 C3 C4 119.38(11) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 119.87(10) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 122.52(11) . . ?
C4 C5 H5 118.7 . . ?
C6 C5 H5 118.7 . . ?
C5 C6 C1 117.35(10) . . ?
C5 C6 B2 119.80(10) . . ?
C1 C6 B2 122.56(9) . . ?
C6 B2 C7 113.91(10) . . ?
C6 B2 C25 115.68(10) . . ?
C7 B2 C25 111.40(9) . . ?
C6 B2 H2A 104.2(7) . . ?
C7 B2 H2A 105.1(7) . . ?
C25 B2 H2A 105.2(8) . . ?
C8 C7 C12 117.18(11) . . ?
C8 C7 B2 120.05(11) . . ?
C12 C7 B2 122.59(10) . . ?
C9 C8 C7 122.15(12) . . ?
C9 C8 H8 118.9 . . ?
C7 C8 H8 118.9 . . ?
C8 C9 C10 120.35(12) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 119.03(11) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C10 C11 C12 121.66(12) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C7 119.55(10) . . ?
C11 C12 B1 120.63(11) . . ?
C7 C12 B1 119.81(10) . . ?
C18 C13 C14 117.01(10) . . ?
C18 C13 B1 119.29(10) . . ?
C14 C13 B1 123.71(9) . . ?
C15 C14 C13 121.35(10) . . ?
C15 C14 P1 121.05(9) . . ?
C13 C14 P1 117.48(8) . . ?
C16 C15 C14 119.88(11) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C15 119.82(11) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.05(11) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 121.86(12) . . ?
C17 C18 H18 119.1 . . ?
C13 C18 H18 119.1 . . ?
C14 P1 C19 103.66(5) . . ?
C14 P1 C22 110.47(5) . . ?
C19 P1 C22 105.19(5) . . ?
C14 P1 Au1 112.67(4) . . ?
C19 P1 Au1 113.34(4) . . ?
C22 P1 Au1 111.05(4) . . ?
C21 C19 C20 111.58(10) . . ?
C21 C19 P1 110.27(8) . . ?
C20 C19 P1 112.11(8) . . ?
C21 C19 H19 107.6 . . ?
C20 C19 H19 107.6 . . ?
P1 C19 H19 107.6 . . ?
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 C24 111.08(10) . . ?
C23 C22 P1 110.10(8) . . ?
C24 C22 P1 115.66(8) . . ?
C23 C22 H22 106.5 . . ?
C24 C22 H22 106.5 . . ?
P1 C22 H22 106.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 114.89(11) . . ?
C30 C25 B2 118.32(11) . . ?
C26 C25 B2 126.69(10) . . ?
C27 C26 C25 121.49(11) . . ?
C27 C26 P2 115.86(9) . . ?
C25 C26 P2 122.61(8) . . ?
C28 C27 C26 121.22(13) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C28 C29 118.66(12) . . ?
C27 C28 H28 120.7 . . ?
C29 C28 H28 120.7 . . ?
C28 C29 C30 120.32(12) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C25 123.37(13) . . ?
C29 C30 H30 118.3 . . ?
C25 C30 H30 118.3 . . ?
C26 P2 C31 104.56(5) . . ?
C26 P2 C34 101.90(5) . . ?
C31 P2 C34 109.05(5) . . ?
C26 P2 Au1 124.02(4) . . ?
C31 P2 Au1 107.77(4) . . ?
C34 P2 Au1 108.83(4) . . ?
C33 C31 C32 109.93(10) . . ?
C33 C31 P2 110.30(8) . . ?
C32 C31 P2 110.37(9) . . ?
C33 C31 H31 108.7 . . ?
C32 C31 H31 108.7 . . ?
P2 C31 H31 108.7 . . ?
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 . . ?
C35 C34 C36 111.65(10) . . ?
C35 C34 P2 114.57(8) . . ?
C36 C34 P2 113.30(8) . . ?
C35 C34 H34 105.5 . . ?
C36 C34 H34 105.5 . . ?
P2 C34 H34 105.5 . . ?
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 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C2T C1T C6T 119.83(14) . . ?
C2T C1T H1T 120.1 . . ?
C6T C1T H1T 120.1 . . ?
C1T C2T C3T 120.50(14) . . ?
C1T C2T H2T 119.7 . . ?
C3T C2T H2T 119.7 . . ?
C2T C3T C4T 119.49(16) . . ?
C2T C3T H3T 120.3 . . ?
C4T C3T H3T 120.3 . . ?
C5T C4T C3T 120.51(15) . . ?
C5T C4T H4T 119.7 . . ?
C3T C4T H4T 119.7 . . ?
C4T C5T C6T 119.47(15) . . ?
C4T C5T H5T 120.3 . . ?
C6T C5T H5T 120.3 . . ?
C5T C6T C1T 120.17(16) . . ?
C5T C6T H6T 119.9 . . ?
C1T C6T H6T 119.9 . . ?

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
C12 B1 C1 C2 175.16(10) . . . . ?
C13 B1 C1 C2 -0.05(16) . . . . ?
Au1 B1 C1 C2 -104.59(10) . . . . ?
C12 B1 C1 C6 -4.93(15) . . . . ?
C13 B1 C1 C6 179.86(10) . . . . ?
Au1 B1 C1 C6 75.32(9) . . . . ?
C6 C1 C2 C3 -0.63(17) . . . . ?
B1 C1 C2 C3 179.28(11) . . . . ?
C1 C2 C3 C4 -0.19(18) . . . . ?
C2 C3 C4 C5 0.87(18) . . . . ?
C3 C4 C5 C6 -0.75(18) . . . . ?
C4 C5 C6 C1 -0.07(17) . . . . ?
C4 C5 C6 B2 173.92(11) . . . . ?
C2 C1 C6 C5 0.74(15) . . . . ?
B1 C1 C6 C5 -179.18(10) . . . . ?
C2 C1 C6 B2 -173.07(10) . . . . ?
B1 C1 C6 B2 7.02(15) . . . . ?
C5 C6 B2 C7 176.97(10) . . . . ?
C1 C6 B2 C7 -9.37(15) . . . . ?
C5 C6 B2 C25 45.97(14) . . . . ?
C1 C6 B2 C25 -140.37(10) . . . . ?
C6 B2 C7 C8 -174.43(10) . . . . ?
C25 B2 C7 C8 -41.36(14) . . . . ?
C6 B2 C7 C12 10.57(15) . . . . ?
C25 B2 C7 C12 143.64(11) . . . . ?
C12 C7 C8 C9 1.23(18) . . . . ?
B2 C7 C8 C9 -174.04(12) . . . . ?
C7 C8 C9 C10 1.3(2) . . . . ?
C8 C9 C10 C11 -2.3(2) . . . . ?
C9 C10 C11 C12 0.58(19) . . . . ?
C10 C11 C12 C7 2.02(18) . . . . ?
C10 C11 C12 B1 -176.39(11) . . . . ?
C8 C7 C12 C11 -2.85(16) . . . . ?
B2 C7 C12 C11 172.29(10) . . . . ?
C8 C7 C12 B1 175.57(10) . . . . ?
B2 C7 C12 B1 -9.29(16) . . . . ?
C1 B1 C12 C11 -175.50(10) . . . . ?
C13 B1 C12 C11 -0.23(16) . . . . ?
Au1 B1 C12 C11 107.91(10) . . . . ?
C1 B1 C12 C7 6.09(16) . . . . ?
C13 B1 C12 C7 -178.64(10) . . . . ?
Au1 B1 C12 C7 -70.50(10) . . . . ?
C12 B1 C13 C18 -88.81(13) . . . . ?
C1 B1 C13 C18 86.47(13) . . . . ?
Au1 B1 C13 C18 175.15(8) . . . . ?
C12 B1 C13 C14 91.91(13) . . . . ?
C1 B1 C13 C14 -92.81(13) . . . . ?
Au1 B1 C13 C14 -4.14(12) . . . . ?
C18 C13 C14 C15 -2.12(16) . . . . ?
B1 C13 C14 C15 177.18(10) . . . . ?
C18 C13 C14 P1 -178.08(8) . . . . ?
B1 C13 C14 P1 1.21(14) . . . . ?
C13 C14 C15 C16 1.39(16) . . . . ?
P1 C14 C15 C16 177.21(9) . . . . ?
C14 C15 C16 C17 0.26(17) . . . . ?
C15 C16 C17 C18 -1.09(19) . . . . ?
C16 C17 C18 C13 0.29(19) . . . . ?
C14 C13 C18 C17 1.29(17) . . . . ?
B1 C13 C18 C17 -178.04(11) . . . . ?
C15 C14 P1 C19 -50.10(10) . . . . ?
C13 C14 P1 C19 125.88(8) . . . . ?
C15 C14 P1 C22 62.14(10) . . . . ?
C13 C14 P1 C22 -121.88(8) . . . . ?
C15 C14 P1 Au1 -173.01(8) . . . . ?
C13 C14 P1 Au1 2.96(9) . . . . ?
C14 P1 C19 C21 -61.15(9) . . . . ?
C22 P1 C19 C21 -177.18(8) . . . . ?
Au1 P1 C19 C21 61.32(8) . . . . ?
C14 P1 C19 C20 173.87(9) . . . . ?
C22 P1 C19 C20 57.84(10) . . . . ?
Au1 P1 C19 C20 -63.66(9) . . . . ?
C14 P1 C22 C23 61.98(9) . . . . ?
C19 P1 C22 C23 173.23(8) . . . . ?
Au1 P1 C22 C23 -63.78(8) . . . . ?
C14 P1 C22 C24 -64.95(10) . . . . ?
C19 P1 C22 C24 46.31(10) . . . . ?
Au1 P1 C22 C24 169.29(8) . . . . ?
C6 B2 C25 C30 -128.68(11) . . . . ?
C7 B2 C25 C30 99.13(12) . . . . ?
C6 B2 C25 C26 55.21(15) . . . . ?
C7 B2 C25 C26 -76.97(14) . . . . ?
C30 C25 C26 C27 1.54(16) . . . . ?
B2 C25 C26 C27 177.75(10) . . . . ?
C30 C25 C26 P2 179.39(9) . . . . ?
B2 C25 C26 P2 -4.39(16) . . . . ?
C25 C26 C27 C28 -1.99(18) . . . . ?
P2 C26 C27 C28 -179.98(10) . . . . ?
C26 C27 C28 C29 0.44(19) . . . . ?
C27 C28 C29 C30 1.4(2) . . . . ?
C28 C29 C30 C25 -1.9(2) . . . . ?
C26 C25 C30 C29 0.35(18) . . . . ?
B2 C25 C30 C29 -176.20(12) . . . . ?
C27 C26 P2 C31 -34.34(10) . . . . ?
C25 C26 P2 C31 147.69(9) . . . . ?
C27 C26 P2 C34 79.19(9) . . . . ?
C25 C26 P2 C34 -98.77(10) . . . . ?
C27 C26 P2 Au1 -158.11(7) . . . . ?
C25 C26 P2 Au1 23.92(11) . . . . ?
C26 P2 C31 C33 -174.93(9) . . . . ?
C34 P2 C31 C33 76.71(10) . . . . ?
Au1 P2 C31 C33 -41.28(9) . . . . ?
C26 P2 C31 C32 -53.25(10) . . . . ?
C34 P2 C31 C32 -161.62(8) . . . . ?
Au1 P2 C31 C32 80.40(9) . . . . ?
C26 P2 C34 C35 -79.75(10) . . . . ?
C31 P2 C34 C35 30.41(11) . . . . ?
Au1 P2 C34 C35 147.73(8) . . . . ?
C26 P2 C34 C36 150.58(9) . . . . ?
C31 P2 C34 C36 -99.27(9) . . . . ?
Au1 P2 C34 C36 18.05(9) . . . . ?
C6T C1T C2T C3T 0.1(2) . . . . ?
C1T C2T C3T C4T 0.7(2) . . . . ?
C2T C3T C4T C5T -0.9(3) . . . . ?
C3T C4T C5T C6T 0.1(3) . . . . ?
C4T C5T C6T C1T 0.7(2) . . . . ?
C2T C1T C6T C5T -0.8(2) . . . . ?

_refine_diff_density_max         1.230
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.079

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_hh108JT52_0m
_database_code_depnum_ccdc_archive 'CCDC 1921503'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H45 Au B2 O2 P2'
_chemical_formula_weight         802.25

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

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                   10.7350(4)
_cell_length_b                   19.4697(6)
_cell_length_c                   16.9388(6)
_cell_angle_alpha                90
_cell_angle_beta                 107.5607(5)
_cell_angle_gamma                90
_cell_volume                     3375.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9813
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      31.54

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_F_000             1608
_exptl_transmission_factor_min   0.603
_exptl_transmission_factor_max   0.746
_exptl_crystal_size_max          0.361
_exptl_crystal_size_mid          0.283
_exptl_crystal_size_min          0.202
_exptl_absorpt_coefficient_mu    4.486
_shelx_estimated_absorpt_T_min   0.294
_shelx_estimated_absorpt_T_max   0.464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            95114
_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.638
_diffrn_reflns_theta_max         30.034
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9868
_reflns_number_gt                9125
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0165P)²+2.3465P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9868
_refine_ls_number_parameters     405
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0176
_refine_ls_R_factor_gt           0.0149
_refine_ls_wR_factor_ref         0.0362
_refine_ls_wR_factor_gt          0.0353
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.28333(2) 0.39527(2) 0.69683(2) 0.01121(2) Uani 1 1 d . . . . .
B1 B 0.29195(16) 0.27221(8) 0.76257(10) 0.0113(3) Uani 1 1 d . . . . .
C1 C 0.41171(14) 0.26039(7) 0.73006(9) 0.0116(3) Uani 1 1 d . . . . .
C2 C 0.39902(15) 0.22158(8) 0.65752(9) 0.0154(3) Uani 1 1 d . . . . .
H2 H 0.3177 0.2005 0.6300 0.018 Uiso 1 1 calc R U . . .
C3 C 0.50309(17) 0.21373(8) 0.62591(10) 0.0193(3) Uani 1 1 d . . . . .
H3 H 0.4921 0.1891 0.5758 0.023 Uiso 1 1 calc R U . . .
C4 C 0.62360(16) 0.24204(8) 0.66788(10) 0.0192(3) Uani 1 1 d . . . . .
H4 H 0.6955 0.2365 0.6467 0.023 Uiso 1 1 calc R U . . .
C5 C 0.63926(15) 0.27837(8) 0.74070(10) 0.0161(3) Uani 1 1 d . . . . .
H5 H 0.7231 0.2959 0.7698 0.019 Uiso 1 1 calc R U . . .
C6 C 0.53464(14) 0.28994(7) 0.77248(9) 0.0115(3) Uani 1 1 d . . . . .
B2 B 0.55865(16) 0.33289(8) 0.85726(10) 0.0117(3) Uani 1 1 d . . . . .
C7 C 0.42666(14) 0.35056(7) 0.88052(8) 0.0120(3) Uani 1 1 d . . . . .
C8 C 0.43112(16) 0.39595(8) 0.94545(9) 0.0168(3) Uani 1 1 d . . . . .
H8 H 0.5103 0.4196 0.9714 0.020 Uiso 1 1 calc R U . . .
C9 C 0.32392(18) 0.40754(9) 0.97318(10) 0.0211(3) Uani 1 1 d . . . . .
H9 H 0.3296 0.4396 1.0164 0.025 Uiso 1 1 calc R U . . .
C10 C 0.20752(17) 0.37192(9) 0.93729(10) 0.0215(3) Uani 1 1 d . . . . .
H10 H 0.1347 0.3782 0.9573 0.026 Uiso 1 1 calc R U . . .
C11 C 0.19936(15) 0.32737(8) 0.87229(9) 0.0168(3) Uani 1 1 d . . . . .
H11 H 0.1199 0.3035 0.8477 0.020 Uiso 1 1 calc R U . . .
C12 C 0.30659(14) 0.31659(7) 0.84164(9) 0.0124(3) Uani 1 1 d . . . . .
C13 C 0.15876(14) 0.23428(7) 0.71864(9) 0.0121(3) Uani 1 1 d . . . . .
C14 C 0.06123(14) 0.26207(7) 0.65107(9) 0.0124(3) Uani 1 1 d . . . . .
C15 C -0.05438(15) 0.22560(8) 0.61346(10) 0.0157(3) Uani 1 1 d . . . . .
H15 H -0.1199 0.2452 0.5682 0.019 Uiso 1 1 calc R U . . .
C16 C -0.07286(15) 0.16111(8) 0.64237(10) 0.0179(3) Uani 1 1 d . . . . .
H16 H -0.1500 0.1359 0.6159 0.021 Uiso 1 1 calc R U . . .
C17 C 0.02104(16) 0.13319(8) 0.70992(10) 0.0184(3) Uani 1 1 d . . . . .
H17 H 0.0072 0.0894 0.7306 0.022 Uiso 1 1 calc R U . . .
C18 C 0.13511(15) 0.16918(8) 0.74719(10) 0.0162(3) Uani 1 1 d . . . . .
H18 H 0.1989 0.1494 0.7932 0.019 Uiso 1 1 calc R U . . .
P1 P 0.08583(4) 0.34866(2) 0.61858(2) 0.01141(7) Uani 1 1 d . . . . .
C19 C 0.08028(15) 0.34933(8) 0.50841(9) 0.0163(3) Uani 1 1 d . . . . .
H19 H 0.0684 0.3984 0.4902 0.020 Uiso 1 1 calc R U . . .
C20 C 0.21012(17) 0.32609(11) 0.49748(11) 0.0279(4) Uani 1 1 d . . . . .
H20A H 0.2250 0.2776 0.5130 0.042 Uiso 1 1 calc R U . . .
H20B H 0.2813 0.3539 0.5329 0.042 Uiso 1 1 calc R U . . .
H20C H 0.2073 0.3319 0.4395 0.042 Uiso 1 1 calc R U . . .
C21 C -0.03251(17) 0.30961(11) 0.44974(10) 0.0265(4) Uani 1 1 d . . . . .
H21A H -0.0334 0.3176 0.3925 0.040 Uiso 1 1 calc R U . . .
H21B H -0.1153 0.3253 0.4568 0.040 Uiso 1 1 calc R U . . .
H21C H -0.0214 0.2604 0.4623 0.040 Uiso 1 1 calc R U . . .
C22 C -0.06107(15) 0.39534(8) 0.62450(10) 0.0152(3) Uani 1 1 d . . . . .
H22 H -0.1395 0.3671 0.5958 0.018 Uiso 1 1 calc R U . . .
C23 C -0.05593(17) 0.40273(9) 0.71540(11) 0.0230(3) Uani 1 1 d . . . . .
H23A H 0.0240 0.4271 0.7457 0.034 Uiso 1 1 calc R U . . .
H23B H -0.0562 0.3571 0.7397 0.034 Uiso 1 1 calc R U . . .
H23C H -0.1322 0.4287 0.7190 0.034 Uiso 1 1 calc R U . . .
C24 C -0.07566(18) 0.46547(9) 0.58223(12) 0.0247(4) Uani 1 1 d . . . . .
H24A H -0.1515 0.4893 0.5900 0.037 Uiso 1 1 calc R U . . .
H24B H -0.0881 0.4593 0.5229 0.037 Uiso 1 1 calc R U . . .
H24C H 0.0033 0.4928 0.6067 0.037 Uiso 1 1 calc R U . . .
C25 C 0.64980(14) 0.40033(7) 0.86030(9) 0.0122(3) Uani 1 1 d . . . . .
C26 C 0.61253(14) 0.46109(7) 0.81309(9) 0.0114(2) Uani 1 1 d . . . . .
C27 C 0.69779(15) 0.51782(8) 0.82618(9) 0.0135(3) Uani 1 1 d . . . . .
H27 H 0.6696 0.5588 0.7956 0.016 Uiso 1 1 calc R U . . .
C28 C 0.82182(15) 0.51528(8) 0.88267(9) 0.0161(3) Uani 1 1 d . . . . .
H28 H 0.8782 0.5540 0.8910 0.019 Uiso 1 1 calc R U . . .
C29 C 0.86190(15) 0.45515(8) 0.92676(10) 0.0186(3) Uani 1 1 d . . . . .
H29 H 0.9476 0.4518 0.9644 0.022 Uiso 1 1 calc R U . . .
C30 C 0.77729(15) 0.39994(8) 0.91600(10) 0.0176(3) Uani 1 1 d . . . . .
H30 H 0.8067 0.3597 0.9478 0.021 Uiso 1 1 calc R U . . .
P2 P 0.45752(4) 0.47327(2) 0.73071(2) 0.01030(7) Uani 1 1 d . . . . .
C31 C 0.39518(15) 0.55645(7) 0.75442(10) 0.0148(3) Uani 1 1 d . . . . .
H31 H 0.4678 0.5908 0.7655 0.018 Uiso 1 1 calc R U . . .
C32 C 0.35445(17) 0.54866(9) 0.83307(11) 0.0218(3) Uani 1 1 d . . . . .
H32A H 0.3277 0.5934 0.8488 0.033 Uiso 1 1 calc R U . . .
H32B H 0.4284 0.5312 0.8780 0.033 Uiso 1 1 calc R U . . .
H32C H 0.2812 0.5164 0.8228 0.033 Uiso 1 1 calc R U . . .
C33 C 0.28197(17) 0.58257(9) 0.68222(11) 0.0232(3) Uani 1 1 d . . . . .
H33A H 0.2124 0.5480 0.6678 0.035 Uiso 1 1 calc R U . . .
H33B H 0.3129 0.5911 0.6343 0.035 Uiso 1 1 calc R U . . .
H33C H 0.2480 0.6254 0.6983 0.035 Uiso 1 1 calc R U . . .
C34 C 0.49981(15) 0.48527(8) 0.63307(9) 0.0137(3) Uani 1 1 d . . . . .
H34 H 0.4154 0.4921 0.5883 0.016 Uiso 1 1 calc R U . . .
C35 C 0.55954(16) 0.41918(9) 0.61207(10) 0.0183(3) Uani 1 1 d . . . . .
H35A H 0.5763 0.4245 0.5586 0.027 Uiso 1 1 calc R U . . .
H35B H 0.4988 0.3810 0.6089 0.027 Uiso 1 1 calc R U . . .
H35C H 0.6419 0.4097 0.6552 0.027 Uiso 1 1 calc R U . . .
C36 C 0.58568(16) 0.54727(9) 0.62925(10) 0.0197(3) Uani 1 1 d . . . . .
H36A H 0.6745 0.5394 0.6658 0.030 Uiso 1 1 calc R U . . .
H36B H 0.5495 0.5886 0.6472 0.030 Uiso 1 1 calc R U . . .
H36C H 0.5880 0.5535 0.5723 0.030 Uiso 1 1 calc R U . . .
O1 O 0.64307(11) 0.28562(6) 0.92883(7) 0.0158(2) Uani 1 1 d . . . . .
C1O C 0.60309(15) 0.22493(8) 0.94093(10) 0.0165(3) Uani 1 1 d . . . . .
H1O H 0.5169 0.2122 0.9097 0.020 Uiso 1 1 calc R U . . .
O2 O 0.66780(11) 0.18313(6) 0.98934(7) 0.0200(2) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.3195(4) . ?
Au1 P2 2.3420(4) . ?
Au1 B1 2.6318(16) . ?
B1 C1 1.561(2) . ?
B1 C12 1.561(2) . ?
B1 C13 1.582(2) . ?
C1 C2 1.414(2) . ?
C1 C6 1.420(2) . ?
C2 C3 1.385(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.388(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.402(2) . ?
C5 H5 0.9500 . ?
C6 B2 1.614(2) . ?
B2 O1 1.5732(18) . ?
B2 C7 1.618(2) . ?
B2 C25 1.629(2) . ?
C7 C8 1.400(2) . ?
C7 C12 1.421(2) . ?
C8 C9 1.386(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.398(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.414(2) . ?
C11 H11 0.9500 . ?
C13 C14 1.406(2) . ?
C13 C18 1.407(2) . ?
C14 C15 1.405(2) . ?
C14 P1 1.8173(15) . ?
C15 C16 1.384(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(2) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
P1 C22 1.8489(15) . ?
P1 C19 1.8491(15) . ?
C19 C21 1.525(2) . ?
C19 C20 1.529(2) . ?
C19 H19 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 C24 1.528(2) . ?
C22 C23 1.531(2) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.409(2) . ?
C25 C26 1.416(2) . ?
C26 C27 1.409(2) . ?
C26 P2 1.8361(14) . ?
C27 C28 1.386(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.383(2) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
P2 C31 1.8423(15) . ?
P2 C34 1.8572(15) . ?
C31 C33 1.528(2) . ?
C31 C32 1.530(2) . ?
C31 H31 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 1.527(2) . ?
C34 C36 1.532(2) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
O1 C1O 1.2945(19) . ?
C1O O2 1.2140(18) . ?
C1O H1O 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 P2 156.685(13) . . ?
P1 Au1 B1 78.17(4) . . ?
P2 Au1 B1 124.27(4) . . ?
C1 B1 C12 120.25(13) . . ?
C1 B1 C13 119.28(13) . . ?
C12 B1 C13 120.31(13) . . ?
C1 B1 Au1 84.98(8) . . ?
C12 B1 Au1 80.84(8) . . ?
C13 B1 Au1 108.34(9) . . ?
C2 C1 C6 119.18(13) . . ?
C2 C1 B1 120.79(13) . . ?
C6 C1 B1 120.02(13) . . ?
C3 C2 C1 121.15(14) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C2 C3 C4 119.59(14) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 120.13(14) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 121.80(14) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 118.05(13) . . ?
C5 C6 B2 119.57(13) . . ?
C1 C6 B2 122.32(13) . . ?
O1 B2 C6 106.43(11) . . ?
O1 B2 C7 106.26(11) . . ?
C6 B2 C7 114.23(12) . . ?
O1 B2 C25 104.26(11) . . ?
C6 B2 C25 112.26(12) . . ?
C7 B2 C25 112.50(12) . . ?
C8 C7 C12 117.96(14) . . ?
C8 C7 B2 120.04(13) . . ?
C12 C7 B2 121.77(12) . . ?
C9 C8 C7 122.26(15) . . ?
C9 C8 H8 118.9 . . ?
C7 C8 H8 118.9 . . ?
C8 C9 C10 119.76(15) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 119.40(15) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 121.48(15) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C7 119.05(13) . . ?
C11 C12 B1 120.98(13) . . ?
C7 C12 B1 119.83(13) . . ?
C14 C13 C18 117.35(13) . . ?
C14 C13 B1 123.29(13) . . ?
C18 C13 B1 119.36(13) . . ?
C15 C14 C13 120.92(13) . . ?
C15 C14 P1 121.38(11) . . ?
C13 C14 P1 117.59(11) . . ?
C16 C15 C14 119.97(14) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.09(14) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 119.98(14) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C13 121.67(14) . . ?
C17 C18 H18 119.2 . . ?
C13 C18 H18 119.2 . . ?
C14 P1 C22 103.61(7) . . ?
C14 P1 C19 110.42(7) . . ?
C22 P1 C19 106.44(7) . . ?
C14 P1 Au1 112.41(5) . . ?
C22 P1 Au1 115.10(5) . . ?
C19 P1 Au1 108.63(5) . . ?
C21 C19 C20 110.16(14) . . ?
C21 C19 P1 115.57(11) . . ?
C20 C19 P1 111.54(11) . . ?
C21 C19 H19 106.3 . . ?
C20 C19 H19 106.3 . . ?
P1 C19 H19 106.3 . . ?
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 . . ?
C24 C22 C23 110.79(14) . . ?
C24 C22 P1 112.49(11) . . ?
C23 C22 P1 109.16(11) . . ?
C24 C22 H22 108.1 . . ?
C23 C22 H22 108.1 . . ?
P1 C22 H22 108.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 115.75(13) . . ?
C30 C25 B2 118.02(13) . . ?
C26 C25 B2 126.21(13) . . ?
C27 C26 C25 120.44(13) . . ?
C27 C26 P2 114.53(11) . . ?
C25 C26 P2 125.01(11) . . ?
C28 C27 C26 121.59(14) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C29 C28 C27 118.66(14) . . ?
C29 C28 H28 120.7 . . ?
C27 C28 H28 120.7 . . ?
C30 C29 C28 120.05(14) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 123.41(14) . . ?
C29 C30 H30 118.3 . . ?
C25 C30 H30 118.3 . . ?
C26 P2 C31 104.67(7) . . ?
C26 P2 C34 106.50(7) . . ?
C31 P2 C34 106.62(7) . . ?
C26 P2 Au1 125.17(5) . . ?
C31 P2 Au1 107.93(5) . . ?
C34 P2 Au1 104.77(5) . . ?
C33 C31 C32 111.27(14) . . ?
C33 C31 P2 111.81(11) . . ?
C32 C31 P2 108.71(10) . . ?
C33 C31 H31 108.3 . . ?
C32 C31 H31 108.3 . . ?
P2 C31 H31 108.3 . . ?
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 . . ?
C35 C34 C36 110.73(13) . . ?
C35 C34 P2 109.52(10) . . ?
C36 C34 P2 116.66(11) . . ?
C35 C34 H34 106.4 . . ?
C36 C34 H34 106.4 . . ?
P2 C34 H34 106.4 . . ?
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 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C1O O1 B2 120.97(12) . . ?
O2 C1O O1 124.71(15) . . ?
O2 C1O H1O 117.6 . . ?
O1 C1O H1O 117.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 B1 C1 C2 -178.60(13) . . . . ?
C13 B1 C1 C2 6.0(2) . . . . ?
Au1 B1 C1 C2 -102.27(13) . . . . ?
C12 B1 C1 C6 0.1(2) . . . . ?
C13 B1 C1 C6 -175.33(13) . . . . ?
Au1 B1 C1 C6 76.44(12) . . . . ?
C6 C1 C2 C3 -2.0(2) . . . . ?
B1 C1 C2 C3 176.71(14) . . . . ?
C1 C2 C3 C4 2.7(2) . . . . ?
C2 C3 C4 C5 -0.5(2) . . . . ?
C3 C4 C5 C6 -2.4(2) . . . . ?
C4 C5 C6 C1 3.0(2) . . . . ?
C4 C5 C6 B2 -179.71(14) . . . . ?
C2 C1 C6 C5 -0.8(2) . . . . ?
B1 C1 C6 C5 -179.55(13) . . . . ?
C2 C1 C6 B2 -177.99(13) . . . . ?
B1 C1 C6 B2 3.3(2) . . . . ?
C5 C6 B2 O1 -70.42(16) . . . . ?
C1 C6 B2 O1 106.71(14) . . . . ?
C5 C6 B2 C7 172.66(13) . . . . ?
C1 C6 B2 C7 -10.22(19) . . . . ?
C5 C6 B2 C25 43.05(18) . . . . ?
C1 C6 B2 C25 -139.83(13) . . . . ?
O1 B2 C7 C8 72.39(16) . . . . ?
C6 B2 C7 C8 -170.59(13) . . . . ?
C25 B2 C7 C8 -41.09(18) . . . . ?
O1 B2 C7 C12 -101.91(14) . . . . ?
C6 B2 C7 C12 15.11(19) . . . . ?
C25 B2 C7 C12 144.60(13) . . . . ?
C12 C7 C8 C9 1.1(2) . . . . ?
B2 C7 C8 C9 -173.46(14) . . . . ?
C7 C8 C9 C10 1.6(2) . . . . ?
C8 C9 C10 C11 -2.4(2) . . . . ?
C9 C10 C11 C12 0.5(2) . . . . ?
C10 C11 C12 C7 2.2(2) . . . . ?
C10 C11 C12 B1 -173.58(14) . . . . ?
C8 C7 C12 C11 -2.9(2) . . . . ?
B2 C7 C12 C11 171.48(13) . . . . ?
C8 C7 C12 B1 172.91(13) . . . . ?
B2 C7 C12 B1 -12.7(2) . . . . ?
C1 B1 C12 C11 -179.50(13) . . . . ?
C13 B1 C12 C11 -4.1(2) . . . . ?
Au1 B1 C12 C11 101.84(13) . . . . ?
C1 B1 C12 C7 4.7(2) . . . . ?
C13 B1 C12 C7 -179.88(13) . . . . ?
Au1 B1 C12 C7 -73.92(12) . . . . ?
C1 B1 C13 C14 -89.32(17) . . . . ?
C12 B1 C13 C14 95.24(17) . . . . ?
Au1 B1 C13 C14 5.28(17) . . . . ?
C1 B1 C13 C18 90.15(17) . . . . ?
C12 B1 C13 C18 -85.29(17) . . . . ?
Au1 B1 C13 C18 -175.25(11) . . . . ?
C18 C13 C14 C15 -0.6(2) . . . . ?
B1 C13 C14 C15 178.89(14) . . . . ?
C18 C13 C14 P1 175.68(11) . . . . ?
B1 C13 C14 P1 -4.84(19) . . . . ?
C13 C14 C15 C16 -0.6(2) . . . . ?
P1 C14 C15 C16 -176.77(12) . . . . ?
C14 C15 C16 C17 1.8(2) . . . . ?
C15 C16 C17 C18 -1.7(2) . . . . ?
C16 C17 C18 C13 0.4(2) . . . . ?
C14 C13 C18 C17 0.7(2) . . . . ?
B1 C13 C18 C17 -178.79(14) . . . . ?
C15 C14 P1 C22 52.87(14) . . . . ?
C13 C14 P1 C22 -123.38(12) . . . . ?
C15 C14 P1 C19 -60.76(14) . . . . ?
C13 C14 P1 C19 122.99(12) . . . . ?
C15 C14 P1 Au1 177.76(11) . . . . ?
C13 C14 P1 Au1 1.51(13) . . . . ?
C14 P1 C19 C21 46.41(14) . . . . ?
C22 P1 C19 C21 -65.41(14) . . . . ?
Au1 P1 C19 C21 170.10(11) . . . . ?
C14 P1 C19 C20 -80.43(13) . . . . ?
C22 P1 C19 C20 167.75(12) . . . . ?
Au1 P1 C19 C20 43.26(13) . . . . ?
C14 P1 C22 C24 -167.68(12) . . . . ?
C19 P1 C22 C24 -51.22(13) . . . . ?
Au1 P1 C22 C24 69.18(12) . . . . ?
C14 P1 C22 C23 68.91(12) . . . . ?
C19 P1 C22 C23 -174.62(11) . . . . ?
Au1 P1 C22 C23 -54.22(12) . . . . ?
O1 B2 C25 C30 4.95(18) . . . . ?
C6 B2 C25 C30 -109.84(15) . . . . ?
C7 B2 C25 C30 119.65(15) . . . . ?
O1 B2 C25 C26 -173.59(13) . . . . ?
C6 B2 C25 C26 71.62(18) . . . . ?
C7 B2 C25 C26 -58.89(19) . . . . ?
C30 C25 C26 C27 -3.4(2) . . . . ?
B2 C25 C26 C27 175.22(14) . . . . ?
C30 C25 C26 P2 175.18(11) . . . . ?
B2 C25 C26 P2 -6.2(2) . . . . ?
C25 C26 C27 C28 2.6(2) . . . . ?
P2 C26 C27 C28 -176.06(12) . . . . ?
C26 C27 C28 C29 0.2(2) . . . . ?
C27 C28 C29 C30 -2.1(2) . . . . ?
C28 C29 C30 C25 1.2(3) . . . . ?
C26 C25 C30 C29 1.5(2) . . . . ?
B2 C25 C30 C29 -177.19(15) . . . . ?
C27 C26 P2 C31 -49.87(12) . . . . ?
C25 C26 P2 C31 131.52(13) . . . . ?
C27 C26 P2 C34 62.83(12) . . . . ?
C25 C26 P2 C34 -115.78(13) . . . . ?
C27 C26 P2 Au1 -174.89(9) . . . . ?
C25 C26 P2 Au1 6.50(15) . . . . ?
C26 P2 C31 C33 167.49(11) . . . . ?
C34 P2 C31 C33 54.87(13) . . . . ?
Au1 P2 C31 C33 -57.23(12) . . . . ?
C26 P2 C31 C32 -69.28(12) . . . . ?
C34 P2 C31 C32 178.10(11) . . . . ?
Au1 P2 C31 C32 66.00(11) . . . . ?
C26 P2 C34 C35 65.51(12) . . . . ?
C31 P2 C34 C35 176.86(10) . . . . ?
Au1 P2 C34 C35 -68.88(11) . . . . ?
C26 P2 C34 C36 -61.22(13) . . . . ?
C31 P2 C34 C36 50.13(13) . . . . ?
Au1 P2 C34 C36 164.40(10) . . . . ?
C6 B2 O1 C1O -56.90(17) . . . . ?
C7 B2 O1 C1O 65.22(16) . . . . ?
C25 B2 O1 C1O -175.74(13) . . . . ?
B2 O1 C1O O2 172.56(15) . . . . ?

_refine_diff_density_max         0.924
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.070

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_hh218JT106_0m
_database_code_depnum_ccdc_archive 'CCDC 1921504'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H76 Au B2 K O10 P2'
_chemical_formula_weight         1228.79

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4884(3)
_cell_length_b                   16.6011(5)
_cell_length_c                   18.4187(5)
_cell_angle_alpha                82.1272(5)
_cell_angle_beta                 83.3368(5)
_cell_angle_gamma                81.8270(5)
_cell_volume                     2830.91(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9732
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      30.78

_exptl_crystal_description       'needle frag'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_F_000             1260
_exptl_transmission_factor_min   0.645
_exptl_transmission_factor_max   0.813
_exptl_crystal_size_max          0.332
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.083
_exptl_absorpt_coefficient_mu    2.784
_shelx_estimated_absorpt_T_min   0.458
_shelx_estimated_absorpt_T_max   0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79048
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.573
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14037
_reflns_number_gt                13078
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0207P)²+1.1577P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14037
_refine_ls_number_parameters     821
_refine_ls_number_restraints     96
_refine_ls_R_factor_all          0.0221
_refine_ls_R_factor_gt           0.0191
_refine_ls_wR_factor_ref         0.0439
_refine_ls_wR_factor_gt          0.0427
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.007
_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_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 0.56132(2) 0.69810(2) 0.64683(2) 0.01587(2) Uani 1 1 d . . . . .
B1 B 0.6252(2) 0.70766(11) 0.81312(10) 0.0147(4) Uani 1 1 d . . . . .
C1 C 0.46701(17) 0.68828(10) 0.80180(9) 0.0138(3) Uani 1 1 d . . . . .
C2 C 0.41819(18) 0.61438(10) 0.83447(9) 0.0166(3) Uani 1 1 d . . . . .
H2A H 0.4810 0.5749 0.8615 0.020 Uiso 1 1 calc R U . . .
C3 C 0.28158(18) 0.59725(10) 0.82849(10) 0.0185(3) Uani 1 1 d . . . . .
H3A H 0.2519 0.5466 0.8511 0.022 Uiso 1 1 calc R U . . .
C4 C 0.18777(18) 0.65480(11) 0.78911(10) 0.0200(4) Uani 1 1 d . . . . .
H4A H 0.0950 0.6430 0.7832 0.024 Uiso 1 1 calc R U . . .
C5 C 0.23188(18) 0.72942(11) 0.75872(10) 0.0182(3) Uani 1 1 d . . . . .
H5A H 0.1668 0.7688 0.7329 0.022 Uiso 1 1 calc R U . . .
C6 C 0.36959(17) 0.74901(10) 0.76464(9) 0.0143(3) Uani 1 1 d . . . . .
B2 B 0.4109(2) 0.84128(11) 0.74084(10) 0.0143(3) Uani 1 1 d . . . . .
C7 C 0.58181(17) 0.84187(10) 0.71921(9) 0.0141(3) Uani 1 1 d . . . . .
C8 C 0.63424(18) 0.90790(10) 0.67296(9) 0.0172(3) Uani 1 1 d . . . . .
H8A H 0.5678 0.9510 0.6527 0.021 Uiso 1 1 calc R U . . .
C9 C 0.77939(19) 0.91244(11) 0.65586(10) 0.0211(4) Uani 1 1 d . . . . .
H9A H 0.8112 0.9582 0.6248 0.025 Uiso 1 1 calc R U . . .
C10 C 0.87796(19) 0.84937(11) 0.68464(11) 0.0229(4) Uani 1 1 d . . . . .
H10E H 0.9777 0.8510 0.6725 0.028 Uiso 1 1 calc R U . . .
C11 C 0.82875(18) 0.78406(11) 0.73135(10) 0.0213(4) Uani 1 1 d . . . . .
H11E H 0.8967 0.7415 0.7512 0.026 Uiso 1 1 calc R U . . .
C12 C 0.68180(17) 0.77840(10) 0.75056(9) 0.0156(3) Uani 1 1 d . . . . .
C13 C 0.74336(17) 0.62530(10) 0.82273(10) 0.0166(3) Uani 1 1 d . . . . .
C14 C 0.78204(18) 0.56871(10) 0.77085(10) 0.0184(3) Uani 1 1 d . . . . .
C15 C 0.89355(19) 0.50371(11) 0.78112(11) 0.0228(4) Uani 1 1 d . . . . .
H15A H 0.9184 0.4671 0.7450 0.027 Uiso 1 1 calc R U . . .
C16 C 0.96751(19) 0.49242(11) 0.84305(11) 0.0245(4) Uani 1 1 d . . . . .
H16A H 1.0435 0.4489 0.8491 0.029 Uiso 1 1 calc R U . . .
C17 C 0.92932(19) 0.54510(11) 0.89565(11) 0.0236(4) Uani 1 1 d . . . . .
H17A H 0.9775 0.5373 0.9390 0.028 Uiso 1 1 calc R U . . .
C18 C 0.82024(18) 0.60980(11) 0.88531(10) 0.0206(4) Uani 1 1 d . . . . .
H18A H 0.7963 0.6454 0.9223 0.025 Uiso 1 1 calc R U . . .
P1 P 0.68867(5) 0.57429(3) 0.68798(3) 0.01727(9) Uani 1 1 d . . . . .
C19 C 0.57366(19) 0.49040(11) 0.71027(11) 0.0213(4) Uani 1 1 d . . . . .
H19A H 0.5314 0.4936 0.7623 0.026 Uiso 1 1 calc R U . . .
C20 C 0.6553(2) 0.40402(11) 0.70945(12) 0.0278(4) Uani 1 1 d . . . . .
H20A H 0.5884 0.3634 0.7238 0.042 Uiso 1 1 calc R U . . .
H20B H 0.7283 0.3957 0.7442 0.042 Uiso 1 1 calc R U . . .
H20C H 0.7015 0.3977 0.6598 0.042 Uiso 1 1 calc R U . . .
C21 C 0.4466(2) 0.50370(12) 0.66392(12) 0.0297(4) Uani 1 1 d . . . . .
H21A H 0.3847 0.4609 0.6806 0.045 Uiso 1 1 calc R U . . .
H21B H 0.4816 0.5012 0.6120 0.045 Uiso 1 1 calc R U . . .
H21C H 0.3919 0.5576 0.6695 0.045 Uiso 1 1 calc R U . . .
C22 C 0.8316(2) 0.54238(12) 0.61624(11) 0.0243(4) Uani 1 1 d . . . . .
H22A H 0.8781 0.4862 0.6336 0.029 Uiso 1 1 calc R U . . .
C23 C 0.9444(2) 0.60095(13) 0.60562(12) 0.0310(5) Uani 1 1 d . . . . .
H23A H 1.0195 0.5843 0.5674 0.046 Uiso 1 1 calc R U . . .
H23B H 0.9865 0.5994 0.6520 0.046 Uiso 1 1 calc R U . . .
H23C H 0.8997 0.6568 0.5906 0.046 Uiso 1 1 calc R U . . .
C24 C 0.7709(2) 0.53914(13) 0.54352(11) 0.0323(5) Uani 1 1 d . . . . .
H24A H 0.8492 0.5243 0.5062 0.048 Uiso 1 1 calc R U . . .
H24B H 0.7201 0.5930 0.5271 0.048 Uiso 1 1 calc R U . . .
H24C H 0.7043 0.4980 0.5506 0.048 Uiso 1 1 calc R U . . .
C25 C 0.31338(17) 0.89525(10) 0.67888(9) 0.0154(3) Uani 1 1 d . . . . .
C26 C 0.31897(17) 0.88034(10) 0.60442(9) 0.0167(3) Uani 1 1 d . . . . .
C27 C 0.22786(19) 0.92900(11) 0.55602(10) 0.0219(4) Uani 1 1 d . . . . .
H27A H 0.2326 0.9173 0.5067 0.026 Uiso 1 1 calc R U . . .
C28 C 0.13149(19) 0.99353(12) 0.57861(11) 0.0241(4) Uani 1 1 d . . . . .
H28A H 0.0708 1.0260 0.5452 0.029 Uiso 1 1 calc R U . . .
C29 C 0.12504(19) 1.00996(11) 0.65036(11) 0.0230(4) Uani 1 1 d . . . . .
H29A H 0.0601 1.0544 0.6666 0.028 Uiso 1 1 calc R U . . .
C30 C 0.21322(18) 0.96164(11) 0.69890(10) 0.0190(3) Uani 1 1 d . . . . .
H30A H 0.2056 0.9740 0.7482 0.023 Uiso 1 1 calc R U . . .
P2 P 0.44842(5) 0.80029(3) 0.56680(2) 0.01614(9) Uani 1 1 d . . . . .
C31 C 0.57857(19) 0.85784(11) 0.50432(10) 0.0215(4) Uani 1 1 d . . . . .
H31A H 0.5889 0.9067 0.5287 0.026 Uiso 1 1 calc R U . . .
C32 C 0.7270(2) 0.80808(12) 0.49792(12) 0.0297(4) Uani 1 1 d . . . . .
H32A H 0.7930 0.8402 0.4651 0.045 Uiso 1 1 calc R U . . .
H32B H 0.7213 0.7571 0.4778 0.045 Uiso 1 1 calc R U . . .
H32C H 0.7618 0.7951 0.5468 0.045 Uiso 1 1 calc R U . . .
C33 C 0.5301(2) 0.89156(14) 0.42829(11) 0.0346(5) Uani 1 1 d . . . . .
H33A H 0.6000 0.9255 0.4011 0.052 Uiso 1 1 calc R U . . .
H33B H 0.4365 0.9249 0.4342 0.052 Uiso 1 1 calc R U . . .
H33C H 0.5227 0.8459 0.4010 0.052 Uiso 1 1 calc R U . . .
C34 C 0.3457(2) 0.75309(12) 0.50852(10) 0.0250(4) Uani 1 1 d . . . . .
H34A H 0.3065 0.7967 0.4704 0.030 Uiso 1 1 calc R U . . .
C35 C 0.2203(2) 0.71790(14) 0.55613(12) 0.0342(5) Uani 1 1 d . . . . .
H35A H 0.1714 0.6879 0.5265 0.051 Uiso 1 1 calc R U . . .
H35B H 0.1531 0.7627 0.5746 0.051 Uiso 1 1 calc R U . . .
H35C H 0.2563 0.6805 0.5978 0.051 Uiso 1 1 calc R U . . .
C36 C 0.4390(3) 0.68612(13) 0.46953(12) 0.0349(5) Uani 1 1 d . . . . .
H36A H 0.3826 0.6651 0.4367 0.052 Uiso 1 1 calc R U . . .
H36B H 0.4737 0.6414 0.5062 0.052 Uiso 1 1 calc R U . . .
H36C H 0.5208 0.7089 0.4406 0.052 Uiso 1 1 calc R U . . .
O1A O 0.59836(13) 0.74055(7) 0.89014(7) 0.0189(2) Uani 1 1 d . . . . .
C1A C 0.6506(2) 0.80115(11) 0.90817(11) 0.0240(4) Uani 1 1 d . . . . .
H1A H 0.7155 0.8278 0.8729 0.029 Uiso 1 1 calc R U . . .
O2A O 0.62209(15) 0.82678(8) 0.96802(8) 0.0304(3) Uani 1 1 d . . . . .
O3A O 0.37770(13) 0.89027(7) 0.80907(6) 0.0181(2) Uani 1 1 d . . . . .
C2A C 0.32456(18) 0.86246(11) 0.87367(10) 0.0208(4) Uani 1 1 d . . . . .
H2B H 0.3094 0.8065 0.8823 0.025 Uiso 1 1 calc R U . . .
O4A O 0.29253(14) 0.90390(8) 0.92447(7) 0.0262(3) Uani 1 1 d . . . . .
K1 K 0.35395(5) 0.83073(2) 1.05826(2) 0.02508(9) Uani 1 1 d . . . . .
O1K O 0.0344(4) 0.81372(19) 1.0587(2) 0.0245(7) Uani 0.593(3) 1 d . U P A 1
C1K C 0.0307(4) 0.7728(3) 0.9968(3) 0.0274(9) Uani 0.593(3) 1 d . U P A 1
H1B H 0.0787 0.8024 0.9526 0.033 Uiso 0.593(3) 1 calc R U P A 1
H1C H -0.0697 0.7713 0.9879 0.033 Uiso 0.593(3) 1 calc R U P A 1
C2K C 0.1057(5) 0.6869(3) 1.0107(3) 0.0277(10) Uani 0.593(3) 1 d . U P A 1
H2C H 0.0594 0.6580 1.0558 0.033 Uiso 0.593(3) 1 calc R U P A 1
H2D H 0.0985 0.6566 0.9688 0.033 Uiso 0.593(3) 1 calc R U P A 1
O2K O 0.2526(4) 0.6894(3) 1.0192(3) 0.0230(8) Uani 0.593(3) 1 d . U P A 1
C3K C 0.3243(5) 0.6087(2) 1.0378(2) 0.0259(8) Uani 0.593(3) 1 d . U P A 1
H3B H 0.3077 0.5723 1.0022 0.031 Uiso 0.593(3) 1 calc R U P A 1
H3C H 0.2867 0.5859 1.0876 0.031 Uiso 0.593(3) 1 calc R U P A 1
C4K C 0.4809(4) 0.6136(2) 1.0359(2) 0.0240(7) Uani 0.593(3) 1 d . U P A 1
H4B H 0.5342 0.5577 1.0416 0.029 Uiso 0.593(3) 1 calc R U P A 1
H4C H 0.5159 0.6425 0.9880 0.029 Uiso 0.593(3) 1 calc R U P A 1
O3K O 0.5044(3) 0.6571(2) 1.09469(19) 0.0246(7) Uani 0.593(3) 1 d . U P A 1
C5K C 0.6512(4) 0.6655(2) 1.0932(2) 0.0306(8) Uani 0.593(3) 1 d . U P A 1
H5B H 0.6837 0.6976 1.0464 0.037 Uiso 0.593(3) 1 calc R U P A 1
H5C H 0.7091 0.6108 1.0967 0.037 Uiso 0.593(3) 1 calc R U P A 1
C6K C 0.6693(9) 0.7089(5) 1.1575(4) 0.0314(14) Uani 0.593(3) 1 d . U P A 1
H6A H 0.6307 0.6787 1.2039 0.038 Uiso 0.593(3) 1 calc R U P A 1
H6B H 0.7721 0.7114 1.1604 0.038 Uiso 0.593(3) 1 calc R U P A 1
O4K O 0.5948(3) 0.78933(18) 1.14758(15) 0.0304(6) Uani 0.593(3) 1 d . U P A 1
C7K C 0.5993(4) 0.8333(3) 1.2077(2) 0.0389(9) Uani 0.593(3) 1 d . U P A 1
H7A H 0.6997 0.8322 1.2181 0.047 Uiso 0.593(3) 1 calc R U P A 1
H7B H 0.5460 0.8076 1.2523 0.047 Uiso 0.593(3) 1 calc R U P A 1
C8K C 0.5341(16) 0.9195(9) 1.1893(8) 0.0411(19) Uani 0.593(3) 1 d . U P A 1
H8B H 0.5420 0.9520 1.2296 0.049 Uiso 0.593(3) 1 calc R U P A 1
H8C H 0.5844 0.9446 1.1435 0.049 Uiso 0.593(3) 1 calc R U P A 1
O5K O 0.3848(3) 0.91896(15) 1.17941(14) 0.0313(6) Uani 0.593(3) 1 d . U P A 1
C9K C 0.3164(5) 0.9992(2) 1.1577(2) 0.0363(9) Uani 0.593(3) 1 d . U P A 1
H9B H 0.3540 1.0188 1.1069 0.044 Uiso 0.593(3) 1 calc R U P A 1
H9C H 0.3362 1.0375 1.1909 0.044 Uiso 0.593(3) 1 calc R U P A 1
C10K C 0.1606(11) 0.9972(4) 1.1610(5) 0.0351(13) Uani 0.593(3) 1 d . U P A 1
H10A H 0.1243 0.9747 1.2112 0.042 Uiso 0.593(3) 1 calc R U P A 1
H10B H 0.1114 1.0536 1.1504 0.042 Uiso 0.593(3) 1 calc R U P A 1
O6K O 0.1307(3) 0.94748(15) 1.10860(14) 0.0286(6) Uani 0.593(3) 1 d . U P A 1
C11K C -0.0157(6) 0.9396(2) 1.1112(2) 0.0307(9) Uani 0.593(3) 1 d . U P A 1
H11A H -0.0723 0.9946 1.1071 0.037 Uiso 0.593(3) 1 calc R U P A 1
H11B H -0.0474 0.9090 1.1589 0.037 Uiso 0.593(3) 1 calc R U P A 1
C12K C -0.0404(5) 0.8949(3) 1.0492(3) 0.0307(11) Uani 0.593(3) 1 d . U P A 1
H12A H -0.1440 0.8924 1.0490 0.037 Uiso 0.593(3) 1 calc R U P A 1
H12B H -0.0055 0.9242 1.0015 0.037 Uiso 0.593(3) 1 calc R U P A 1
C1S C 1.0360(5) 0.2998(3) 0.63474(16) 0.0549(18) Uani 0.694(6) 1 d G U P B 1
H1D H 1.0918 0.3293 0.5968 0.066 Uiso 0.694(6) 1 calc R U P B 1
C2S C 1.0479(3) 0.3066(2) 0.7081(2) 0.0381(9) Uani 0.694(6) 1 d G U P B 1
H2E H 1.1118 0.3407 0.7203 0.046 Uiso 0.694(6) 1 calc R U P B 1
C3S C 0.9663(4) 0.2635(2) 0.76366(11) 0.0324(9) Uani 0.694(6) 1 d G U P B 1
H3D H 0.9744 0.2682 0.8138 0.039 Uiso 0.694(6) 1 calc R U P B 1
C4S C 0.8728(3) 0.21362(16) 0.7459(2) 0.0362(11) Uani 0.694(6) 1 d G U P B 1
H4D H 0.8170 0.1842 0.7838 0.043 Uiso 0.694(6) 1 calc R U P B 1
C5S C 0.8609(3) 0.2068(2) 0.6725(3) 0.0467(12) Uani 0.694(6) 1 d G U P B 1
H5D H 0.7970 0.1727 0.6603 0.056 Uiso 0.694(6) 1 calc R U P B 1
C6S C 0.9425(5) 0.2499(3) 0.61693(13) 0.0550(18) Uani 0.694(6) 1 d G U P B 1
H6C H 0.9343 0.2453 0.5668 0.066 Uiso 0.694(6) 1 calc R U P B 1
O1L O 0.0408(6) 0.7823(3) 1.0438(3) 0.0324(11) Uani 0.407(3) 1 d . U P A 2
C1L C 0.0741(10) 0.7286(6) 0.9900(4) 0.0406(17) Uani 0.407(3) 1 d . U P A 2
H1E H 0.1226 0.7566 0.9451 0.049 Uiso 0.407(3) 1 calc R U P A 2
H1F H -0.0150 0.7121 0.9768 0.049 Uiso 0.407(3) 1 calc R U P A 2
C2L C 0.1689(11) 0.6549(5) 1.0184(4) 0.0503(19) Uani 0.407(3) 1 d . U P A 2
H2F H 0.1216 0.6284 1.0645 0.060 Uiso 0.407(3) 1 calc R U P A 2
H2G H 0.1853 0.6151 0.9819 0.060 Uiso 0.407(3) 1 calc R U P A 2
O2L O 0.3032(8) 0.6762(4) 1.0325(4) 0.0394(15) Uani 0.407(3) 1 d . U P A 2
C3L C 0.3931(12) 0.6082(4) 1.0601(4) 0.0475(17) Uani 0.407(3) 1 d . U P A 2
H3E H 0.4075 0.5664 1.0256 0.057 Uiso 0.407(3) 1 calc R U P A 2
H3F H 0.3490 0.5838 1.1080 0.057 Uiso 0.407(3) 1 calc R U P A 2
C4L C 0.5318(10) 0.6330(5) 1.0701(5) 0.048(2) Uani 0.407(3) 1 d . U P A 2
H4E H 0.5989 0.5838 1.0849 0.058 Uiso 0.407(3) 1 calc R U P A 2
H4F H 0.5729 0.6605 1.0228 0.058 Uiso 0.407(3) 1 calc R U P A 2
O3L O 0.5151(5) 0.6873(3) 1.1248(3) 0.0385(11) Uani 0.407(3) 1 d . U P A 2
C5L C 0.6466(14) 0.7111(10) 1.1381(7) 0.052(3) Uani 0.407(3) 1 d . U P A 2
H5E H 0.6952 0.7353 1.0914 0.063 Uiso 0.407(3) 1 calc R U P A 2
H5F H 0.7099 0.6625 1.1581 0.063 Uiso 0.407(3) 1 calc R U P A 2
C6L C 0.6187(7) 0.7729(5) 1.1923(5) 0.0491(17) Uani 0.407(3) 1 d . U P A 2
H6D H 0.5636 0.7504 1.2377 0.059 Uiso 0.407(3) 1 calc R U P A 2
H6E H 0.7104 0.7856 1.2057 0.059 Uiso 0.407(3) 1 calc R U P A 2
O4L O 0.5408(4) 0.8443(3) 1.1599(2) 0.0334(10) Uani 0.407(3) 1 d . U P A 2
C7L C 0.516(3) 0.9086(14) 1.2046(13) 0.0411(19) Uani 0.407(3) 1 d . U P A 2
H7C H 0.6081 0.9267 1.2112 0.049 Uiso 0.407(3) 1 calc R U P A 2
H7D H 0.4707 0.8888 1.2537 0.049 Uiso 0.407(3) 1 calc R U P A 2
C8L C 0.4228(7) 0.9776(4) 1.1706(3) 0.0353(13) Uani 0.407(3) 1 d . U P A 2
H8D H 0.4121 1.0244 1.1996 0.042 Uiso 0.407(3) 1 calc R U P A 2
H8E H 0.4641 0.9954 1.1200 0.042 Uiso 0.407(3) 1 calc R U P A 2
O5L O 0.2857(4) 0.9504(2) 1.16853(18) 0.0242(8) Uani 0.407(3) 1 d . U P A 2
C9L C 0.1786(17) 1.0181(7) 1.1495(8) 0.0351(13) Uani 0.407(3) 1 d . U P A 2
H9D H 0.2082 1.0479 1.1011 0.042 Uiso 0.407(3) 1 calc R U P A 2
H9E H 0.1660 1.0568 1.1869 0.042 Uiso 0.407(3) 1 calc R U P A 2
C10L C 0.0426(6) 0.9848(3) 1.1466(3) 0.0288(11) Uani 0.407(3) 1 d . U P A 2
H10C H 0.0160 0.9528 1.1944 0.035 Uiso 0.407(3) 1 calc R U P A 2
H10D H -0.0349 1.0305 1.1373 0.035 Uiso 0.407(3) 1 calc R U P A 2
O6L O 0.0590(5) 0.9339(2) 1.0898(2) 0.0226(8) Uani 0.407(3) 1 d . U P A 2
C11L C -0.0744(8) 0.9093(5) 1.0795(5) 0.0378(18) Uani 0.407(3) 1 d . U P A 2
H11C H -0.1436 0.9580 1.0658 0.045 Uiso 0.407(3) 1 calc R U P A 2
H11D H -0.1144 0.8791 1.1257 0.045 Uiso 0.407(3) 1 calc R U P A 2
C12L C -0.0478(6) 0.8549(4) 1.0190(4) 0.0414(15) Uani 0.407(3) 1 d . U P A 2
H12C H -0.1397 0.8411 1.0069 0.050 Uiso 0.407(3) 1 calc R U P A 2
H12D H -0.0002 0.8836 0.9742 0.050 Uiso 0.407(3) 1 calc R U P A 2
C1D C 1.0080(11) 0.2978(6) 0.6262(3) 0.027(2) Uani 0.306(6) 1 d G U P B 2
H1G H 1.0392 0.3207 0.5779 0.032 Uiso 0.306(6) 1 calc R U P B 2
C2D C 1.0539(8) 0.3241(5) 0.6870(5) 0.0381(9) Uani 0.306(6) 1 d G U P B 2
H2H H 1.1164 0.3650 0.6801 0.046 Uiso 0.306(6) 1 calc R U P B 2
C3D C 1.0084(9) 0.2905(5) 0.7577(4) 0.0324(9) Uani 0.306(6) 1 d G U P B 2
H3G H 1.0398 0.3085 0.7992 0.039 Uiso 0.306(6) 1 calc R U P B 2
C4D C 0.9170(8) 0.2306(4) 0.7676(3) 0.0362(11) Uani 0.306(6) 1 d G U P B 2
H4G H 0.8859 0.2077 0.8159 0.043 Uiso 0.306(6) 1 calc R U P B 2
C5D C 0.8711(7) 0.2043(3) 0.7069(5) 0.033(2) Uani 0.306(6) 1 d G U P B 2
H5G H 0.8086 0.1634 0.7137 0.040 Uiso 0.306(6) 1 calc R U P B 2
C6D C 0.9166(10) 0.2379(5) 0.6362(4) 0.0235(18) Uani 0.306(6) 1 d G U P B 2
H6F H 0.8853 0.2199 0.5947 0.028 Uiso 0.306(6) 1 calc R U P B 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 P1 2.3106(4) . ?
Au1 P2 2.3159(4) . ?
B1 O1A 1.570(2) . ?
B1 C1 1.621(2) . ?
B1 C12 1.631(2) . ?
B1 C13 1.643(2) . ?
C1 C2 1.406(2) . ?
C1 C6 1.426(2) . ?
C2 C3 1.386(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.396(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.388(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.410(2) . ?
C5 H5A 0.9500 . ?
C6 B2 1.624(2) . ?
B2 O3A 1.567(2) . ?
B2 C7 1.625(2) . ?
B2 C25 1.640(2) . ?
C7 C8 1.406(2) . ?
C7 C12 1.421(2) . ?
C8 C9 1.387(2) . ?
C8 H8A 0.9500 . ?
C9 C10 1.392(2) . ?
C9 H9A 0.9500 . ?
C10 C11 1.389(2) . ?
C10 H10E 0.9500 . ?
C11 C12 1.411(2) . ?
C11 H11E 0.9500 . ?
C13 C18 1.410(2) . ?
C13 C14 1.413(3) . ?
C14 C15 1.409(2) . ?
C14 P1 1.8372(18) . ?
C15 C16 1.385(3) . ?
C15 H15A 0.9500 . ?
C16 C17 1.377(3) . ?
C16 H16A 0.9500 . ?
C17 C18 1.391(2) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
P1 C22 1.8539(19) . ?
P1 C19 1.8629(18) . ?
C19 C21 1.531(3) . ?
C19 C20 1.531(2) . ?
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 1.525(3) . ?
C22 C24 1.529(3) . ?
C22 H22A 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.409(2) . ?
C25 C26 1.420(2) . ?
C26 C27 1.406(2) . ?
C26 P2 1.8290(18) . ?
C27 C28 1.383(3) . ?
C27 H27A 0.9500 . ?
C28 C29 1.378(3) . ?
C28 H28A 0.9500 . ?
C29 C30 1.389(2) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
P2 C34 1.8460(19) . ?
P2 C31 1.8618(18) . ?
C31 C32 1.529(3) . ?
C31 C33 1.532(3) . ?
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 C36 1.526(3) . ?
C34 C35 1.529(3) . ?
C34 H34A 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
O1A C1A 1.281(2) . ?
C1A O2A 1.223(2) . ?
C1A H1A 0.9500 . ?
O2A K1 2.8707(15) . ?
O3A C2A 1.288(2) . ?
C2A O4A 1.222(2) . ?
C2A H2B 0.9500 . ?
O4A K1 2.6832(13) . ?
K1 O4L 2.775(4) . ?
K1 O2L 2.788(8) . ?
K1 O6K 2.823(3) . ?
K1 O3L 2.847(4) . ?
K1 O2K 2.866(5) . ?
K1 O5K 2.895(2) . ?
K1 O4K 2.919(3) . ?
K1 O5L 2.987(3) . ?
K1 O3K 3.053(3) . ?
K1 O1K 3.083(3) . ?
O1K C1K 1.411(5) . ?
O1K C12K 1.429(5) . ?
C1K C2K 1.502(6) . ?
C1K H1B 0.9900 . ?
C1K H1C 0.9900 . ?
C2K O2K 1.428(5) . ?
C2K H2C 0.9900 . ?
C2K H2D 0.9900 . ?
O2K C3K 1.429(5) . ?
C3K C4K 1.496(5) . ?
C3K H3B 0.9900 . ?
C3K H3C 0.9900 . ?
C4K O3K 1.434(5) . ?
C4K H4B 0.9900 . ?
C4K H4C 0.9900 . ?
O3K C5K 1.416(5) . ?
C5K C6K 1.506(8) . ?
C5K H5B 0.9900 . ?
C5K H5C 0.9900 . ?
C6K O4K 1.418(8) . ?
C6K H6A 0.9900 . ?
C6K H6B 0.9900 . ?
O4K C7K 1.416(5) . ?
C7K C8K 1.486(16) . ?
C7K H7A 0.9900 . ?
C7K H7B 0.9900 . ?
C8K O5K 1.450(16) . ?
C8K H8B 0.9900 . ?
C8K H8C 0.9900 . ?
O5K C9K 1.423(5) . ?
C9K C10K 1.477(11) . ?
C9K H9B 0.9900 . ?
C9K H9C 0.9900 . ?
C10K O6K 1.430(9) . ?
C10K H10A 0.9900 . ?
C10K H10B 0.9900 . ?
O6K C11K 1.408(5) . ?
C11K C12K 1.502(7) . ?
C11K H11A 0.9900 . ?
C11K H11B 0.9900 . ?
C12K H12A 0.9900 . ?
C12K H12B 0.9900 . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C1S H1D 0.9500 . ?
C2S C3S 1.3900 . ?
C2S H2E 0.9500 . ?
C3S C4S 1.3900 . ?
C3S H3D 0.9500 . ?
C4S C5S 1.3900 . ?
C4S H4D 0.9500 . ?
C5S C6S 1.3900 . ?
C5S H5D 0.9500 . ?
C6S H6C 0.9500 . ?
O1L C1L 1.402(9) . ?
O1L C12L 1.421(8) . ?
C1L C2L 1.484(12) . ?
C1L H1E 0.9900 . ?
C1L H1F 0.9900 . ?
C2L O2L 1.431(10) . ?
C2L H2F 0.9900 . ?
C2L H2G 0.9900 . ?
O2L C3L 1.390(9) . ?
C3L C4L 1.471(13) . ?
C3L H3E 0.9900 . ?
C3L H3F 0.9900 . ?
C4L O3L 1.423(10) . ?
C4L H4E 0.9900 . ?
C4L H4F 0.9900 . ?
O3L C5L 1.418(14) . ?
C5L C6L 1.503(17) . ?
C5L H5E 0.9900 . ?
C5L H5F 0.9900 . ?
C6L O4L 1.403(7) . ?
C6L H6D 0.9900 . ?
C6L H6E 0.9900 . ?
O4L C7L 1.41(3) . ?
C7L C8L 1.46(3) . ?
C7L H7C 0.9900 . ?
C7L H7D 0.9900 . ?
C8L O5L 1.443(6) . ?
C8L H8D 0.9900 . ?
C8L H8E 0.9900 . ?
O5L C9L 1.439(15) . ?
C9L C10L 1.483(15) . ?
C9L H9D 0.9900 . ?
C9L H9E 0.9900 . ?
C10L O6L 1.415(6) . ?
C10L H10C 0.9900 . ?
C10L H10D 0.9900 . ?
O6L C11L 1.425(9) . ?
C11L C12L 1.505(11) . ?
C11L H11C 0.9900 . ?
C11L H11D 0.9900 . ?
C12L H12C 0.9900 . ?
C12L H12D 0.9900 . ?
C1D C2D 1.3900 . ?
C1D C6D 1.3900 . ?
C1D H1G 0.9500 . ?
C2D C3D 1.3900 . ?
C2D H2H 0.9500 . ?
C3D C4D 1.3900 . ?
C3D H3G 0.9500 . ?
C4D C5D 1.3900 . ?
C4D H4G 0.9500 . ?
C5D C6D 1.3900 . ?
C5D H5G 0.9500 . ?
C6D H6F 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 P2 159.255(17) . . ?
O1A B1 C1 101.62(13) . . ?
O1A B1 C12 109.79(13) . . ?
C1 B1 C12 112.54(13) . . ?
O1A B1 C13 106.16(13) . . ?
C1 B1 C13 113.58(13) . . ?
C12 B1 C13 112.36(14) . . ?
C2 C1 C6 118.47(14) . . ?
C2 C1 B1 120.67(14) . . ?
C6 C1 B1 120.58(14) . . ?
C3 C2 C1 122.22(15) . . ?
C3 C2 H2A 118.9 . . ?
C1 C2 H2A 118.9 . . ?
C2 C3 C4 119.62(15) . . ?
C2 C3 H3A 120.2 . . ?
C4 C3 H3A 120.2 . . ?
C5 C4 C3 119.14(15) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C4 C5 C6 122.52(16) . . ?
C4 C5 H5A 118.7 . . ?
C6 C5 H5A 118.7 . . ?
C5 C6 C1 117.91(15) . . ?
C5 C6 B2 121.80(14) . . ?
C1 C6 B2 119.73(14) . . ?
O3A B2 C6 109.17(13) . . ?
O3A B2 C7 103.82(13) . . ?
C6 B2 C7 112.12(13) . . ?
O3A B2 C25 104.12(13) . . ?
C6 B2 C25 113.44(13) . . ?
C7 B2 C25 113.29(13) . . ?
C8 C7 C12 118.47(15) . . ?
C8 C7 B2 120.69(14) . . ?
C12 C7 B2 120.70(14) . . ?
C9 C8 C7 122.43(16) . . ?
C9 C8 H8A 118.8 . . ?
C7 C8 H8A 118.8 . . ?
C8 C9 C10 119.43(16) . . ?
C8 C9 H9A 120.3 . . ?
C10 C9 H9A 120.3 . . ?
C11 C10 C9 119.18(16) . . ?
C11 C10 H10E 120.4 . . ?
C9 C10 H10E 120.4 . . ?
C10 C11 C12 122.62(16) . . ?
C10 C11 H11E 118.7 . . ?
C12 C11 H11E 118.7 . . ?
C11 C12 C7 117.82(15) . . ?
C11 C12 B1 122.19(14) . . ?
C7 C12 B1 119.67(14) . . ?
C18 C13 C14 115.23(16) . . ?
C18 C13 B1 119.29(16) . . ?
C14 C13 B1 125.40(15) . . ?
C15 C14 C13 121.20(17) . . ?
C15 C14 P1 116.50(14) . . ?
C13 C14 P1 122.29(13) . . ?
C16 C15 C14 121.05(18) . . ?
C16 C15 H15A 119.5 . . ?
C14 C15 H15A 119.5 . . ?
C17 C16 C15 119.07(17) . . ?
C17 C16 H16A 120.5 . . ?
C15 C16 H16A 120.5 . . ?
C16 C17 C18 120.00(17) . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C17 C18 C13 123.41(18) . . ?
C17 C18 H18A 118.3 . . ?
C13 C18 H18A 118.3 . . ?
C14 P1 C22 104.29(9) . . ?
C14 P1 C19 103.85(8) . . ?
C22 P1 C19 107.12(9) . . ?
C14 P1 Au1 118.04(6) . . ?
C22 P1 Au1 110.35(6) . . ?
C19 P1 Au1 112.34(6) . . ?
C21 C19 C20 111.93(16) . . ?
C21 C19 P1 112.44(13) . . ?
C20 C19 P1 114.34(13) . . ?
C21 C19 H19A 105.8 . . ?
C20 C19 H19A 105.8 . . ?
P1 C19 H19A 105.8 . . ?
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 C24 110.73(17) . . ?
C23 C22 P1 109.53(13) . . ?
C24 C22 P1 111.42(13) . . ?
C23 C22 H22A 108.4 . . ?
C24 C22 H22A 108.4 . . ?
P1 C22 H22A 108.4 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 115.23(15) . . ?
C30 C25 B2 119.53(15) . . ?
C26 C25 B2 125.23(15) . . ?
C27 C26 C25 120.83(16) . . ?
C27 C26 P2 117.44(14) . . ?
C25 C26 P2 121.69(12) . . ?
C28 C27 C26 121.52(18) . . ?
C28 C27 H27A 119.2 . . ?
C26 C27 H27A 119.2 . . ?
C29 C28 C27 118.84(16) . . ?
C29 C28 H28A 120.6 . . ?
C27 C28 H28A 120.6 . . ?
C28 C29 C30 120.13(17) . . ?
C28 C29 H29A 119.9 . . ?
C30 C29 H29A 119.9 . . ?
C29 C30 C25 123.43(17) . . ?
C29 C30 H30A 118.3 . . ?
C25 C30 H30A 118.3 . . ?
C26 P2 C34 104.23(9) . . ?
C26 P2 C31 104.17(8) . . ?
C34 P2 C31 107.40(9) . . ?
C26 P2 Au1 119.21(6) . . ?
C34 P2 Au1 108.98(6) . . ?
C31 P2 Au1 112.04(6) . . ?
C32 C31 C33 111.34(16) . . ?
C32 C31 P2 111.47(12) . . ?
C33 C31 P2 114.95(13) . . ?
C32 C31 H31A 106.1 . . ?
C33 C31 H31A 106.1 . . ?
P2 C31 H31A 106.1 . . ?
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 . . ?
C36 C34 C35 110.22(17) . . ?
C36 C34 P2 111.78(14) . . ?
C35 C34 P2 109.23(13) . . ?
C36 C34 H34A 108.5 . . ?
C35 C34 H34A 108.5 . . ?
P2 C34 H34A 108.5 . . ?
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 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C1A O1A B1 126.23(14) . . ?
O2A C1A O1A 123.97(18) . . ?
O2A C1A H1A 118.0 . . ?
O1A C1A H1A 118.0 . . ?
C1A O2A K1 127.18(12) . . ?
C2A O3A B2 125.67(14) . . ?
O4A C2A O3A 123.82(17) . . ?
O4A C2A H2B 118.1 . . ?
O3A C2A H2B 118.1 . . ?
C2A O4A K1 116.36(11) . . ?
O4A K1 O4L 137.44(9) . . ?
O4A K1 O2L 94.44(14) . . ?
O4L K1 O2L 119.92(15) . . ?
O4A K1 O6K 83.78(6) . . ?
O4A K1 O3L 140.01(11) . . ?
O4L K1 O3L 60.19(15) . . ?
O2L K1 O3L 60.04(17) . . ?
O4A K1 O2K 86.23(9) . . ?
O6K K1 O2K 112.92(10) . . ?
O4A K1 O2A 74.11(4) . . ?
O4L K1 O2A 78.48(9) . . ?
O2L K1 O2A 94.65(17) . . ?
O6K K1 O2A 138.86(6) . . ?
O3L K1 O2A 77.76(9) . . ?
O2K K1 O2A 99.97(10) . . ?
O4A K1 O5K 123.78(6) . . ?
O6K K1 O5K 59.17(9) . . ?
O2K K1 O5K 144.52(11) . . ?
O2A K1 O5K 105.96(6) . . ?
O4A K1 O4K 140.33(6) . . ?
O6K K1 O4K 116.06(8) . . ?
O2K K1 O4K 113.03(9) . . ?
O2A K1 O4K 68.71(6) . . ?
O5K K1 O4K 57.43(8) . . ?
O4A K1 O5L 110.26(8) . . ?
O4L K1 O5L 57.68(12) . . ?
O2L K1 O5L 142.04(18) . . ?
O3L K1 O5L 108.08(14) . . ?
O2A K1 O5L 119.14(8) . . ?
O4A K1 O3K 126.48(8) . . ?
O6K K1 O3K 143.48(8) . . ?
O2K K1 O3K 57.49(9) . . ?
O2A K1 O3K 75.31(6) . . ?
O5K K1 O3K 106.33(9) . . ?
O4K K1 O3K 55.80(8) . . ?
O4A K1 O1K 76.96(7) . . ?
O6K K1 O1K 56.79(9) . . ?
O2K K1 O1K 56.32(10) . . ?
O2A K1 O1K 143.66(7) . . ?
O5K K1 O1K 108.25(9) . . ?
O4K K1 O1K 142.69(9) . . ?
O3K K1 O1K 105.95(8) . . ?
C1K O1K C12K 111.2(4) . . ?
C1K O1K K1 103.7(2) . . ?
C12K O1K K1 107.0(3) . . ?
O1K C1K C2K 109.1(3) . . ?
O1K C1K H1B 109.9 . . ?
C2K C1K H1B 109.9 . . ?
O1K C1K H1C 109.9 . . ?
C2K C1K H1C 109.9 . . ?
H1B C1K H1C 108.3 . . ?
O2K C2K C1K 109.7(4) . . ?
O2K C2K H2C 109.7 . . ?
C1K C2K H2C 109.7 . . ?
O2K C2K H2D 109.7 . . ?
C1K C2K H2D 109.7 . . ?
H2C C2K H2D 108.2 . . ?
C2K O2K C3K 110.9(4) . . ?
C2K O2K K1 122.6(3) . . ?
C3K O2K K1 121.2(2) . . ?
O2K C3K C4K 108.6(3) . . ?
O2K C3K H3B 110.0 . . ?
C4K C3K H3B 110.0 . . ?
O2K C3K H3C 110.0 . . ?
C4K C3K H3C 110.0 . . ?
H3B C3K H3C 108.3 . . ?
O3K C4K C3K 109.1(3) . . ?
O3K C4K H4B 109.9 . . ?
C3K C4K H4B 109.9 . . ?
O3K C4K H4C 109.9 . . ?
C3K C4K H4C 109.9 . . ?
H4B C4K H4C 108.3 . . ?
C5K O3K C4K 110.8(3) . . ?
C5K O3K K1 105.4(2) . . ?
C4K O3K K1 105.1(2) . . ?
O3K C5K C6K 108.1(4) . . ?
O3K C5K H5B 110.1 . . ?
C6K C5K H5B 110.1 . . ?
O3K C5K H5C 110.1 . . ?
C6K C5K H5C 110.1 . . ?
H5B C5K H5C 108.4 . . ?
O4K C6K C5K 108.7(5) . . ?
O4K C6K H6A 110.0 . . ?
C5K C6K H6A 110.0 . . ?
O4K C6K H6B 110.0 . . ?
C5K C6K H6B 110.0 . . ?
H6A C6K H6B 108.3 . . ?
C7K O4K C6K 112.6(4) . . ?
C7K O4K K1 119.2(3) . . ?
C6K O4K K1 122.0(3) . . ?
O4K C7K C8K 109.1(8) . . ?
O4K C7K H7A 109.9 . . ?
C8K C7K H7A 109.9 . . ?
O4K C7K H7B 109.9 . . ?
C8K C7K H7B 109.9 . . ?
H7A C7K H7B 108.3 . . ?
O5K C8K C7K 108.2(9) . . ?
O5K C8K H8B 110.1 . . ?
C7K C8K H8B 110.1 . . ?
O5K C8K H8C 110.1 . . ?
C7K C8K H8C 110.1 . . ?
H8B C8K H8C 108.4 . . ?
C9K O5K C8K 111.6(6) . . ?
C9K O5K K1 103.1(2) . . ?
C8K O5K K1 111.5(7) . . ?
O5K C9K C10K 109.2(4) . . ?
O5K C9K H9B 109.8 . . ?
C10K C9K H9B 109.8 . . ?
O5K C9K H9C 109.8 . . ?
C10K C9K H9C 109.8 . . ?
H9B C9K H9C 108.3 . . ?
O6K C10K C9K 110.0(7) . . ?
O6K C10K H10A 109.7 . . ?
C9K C10K H10A 109.7 . . ?
O6K C10K H10B 109.7 . . ?
C9K C10K H10B 109.7 . . ?
H10A C10K H10B 108.2 . . ?
C11K O6K C10K 113.1(5) . . ?
C11K O6K K1 124.0(2) . . ?
C10K O6K K1 117.7(4) . . ?
O6K C11K C12K 109.8(4) . . ?
O6K C11K H11A 109.7 . . ?
C12K C11K H11A 109.7 . . ?
O6K C11K H11B 109.7 . . ?
C12K C11K H11B 109.7 . . ?
H11A C11K H11B 108.2 . . ?
O1K C12K C11K 109.0(4) . . ?
O1K C12K H12A 109.9 . . ?
C11K C12K H12A 109.9 . . ?
O1K C12K H12B 109.9 . . ?
C11K C12K H12B 109.9 . . ?
H12A C12K H12B 108.3 . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S H1D 120.0 . . ?
C6S C1S H1D 120.0 . . ?
C3S C2S C1S 120.0 . . ?
C3S C2S H2E 120.0 . . ?
C1S C2S H2E 120.0 . . ?
C2S C3S C4S 120.0 . . ?
C2S C3S H3D 120.0 . . ?
C4S C3S H3D 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C3S C4S H4D 120.0 . . ?
C5S C4S H4D 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C6S C5S H5D 120.0 . . ?
C4S C5S H5D 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C5S C6S H6C 120.0 . . ?
C1S C6S H6C 120.0 . . ?
C1L O1L C12L 112.3(7) . . ?
C1L O1L K1 100.9(4) . . ?
C12L O1L K1 108.1(3) . . ?
O1L C1L C2L 109.8(6) . . ?
O1L C1L H1E 109.7 . . ?
C2L C1L H1E 109.7 . . ?
O1L C1L H1F 109.7 . . ?
C2L C1L H1F 109.7 . . ?
H1E C1L H1F 108.2 . . ?
O2L C2L C1L 110.9(6) . . ?
O2L C2L H2F 109.5 . . ?
C1L C2L H2F 109.5 . . ?
O2L C2L H2G 109.5 . . ?
C1L C2L H2G 109.5 . . ?
H2F C2L H2G 108.0 . . ?
C3L O2L C2L 111.9(7) . . ?
C3L O2L K1 118.2(5) . . ?
C2L O2L K1 125.8(5) . . ?
O2L C3L C4L 109.6(6) . . ?
O2L C3L H3E 109.7 . . ?
C4L C3L H3E 109.7 . . ?
O2L C3L H3F 109.7 . . ?
C4L C3L H3F 109.7 . . ?
H3E C3L H3F 108.2 . . ?
O3L C4L C3L 110.6(6) . . ?
O3L C4L H4E 109.5 . . ?
C3L C4L H4E 109.5 . . ?
O3L C4L H4F 109.5 . . ?
C3L C4L H4F 109.5 . . ?
H4E C4L H4F 108.1 . . ?
C5L O3L C4L 112.9(8) . . ?
C5L O3L K1 106.4(6) . . ?
C4L O3L K1 103.2(4) . . ?
O3L C5L C6L 109.5(10) . . ?
O3L C5L H5E 109.8 . . ?
C6L C5L H5E 109.8 . . ?
O3L C5L H5F 109.8 . . ?
C6L C5L H5F 109.8 . . ?
H5E C5L H5F 108.2 . . ?
O4L C6L C5L 108.7(8) . . ?
O4L C6L H6D 110.0 . . ?
C5L C6L H6D 110.0 . . ?
O4L C6L H6E 110.0 . . ?
C5L C6L H6E 110.0 . . ?
H6D C6L H6E 108.3 . . ?
C6L O4L C7L 113.5(11) . . ?
C6L O4L K1 118.9(4) . . ?
C7L O4L K1 121.4(11) . . ?
O4L C7L C8L 110.2(18) . . ?
O4L C7L H7C 109.6 . . ?
C8L C7L H7C 109.6 . . ?
O4L C7L H7D 109.6 . . ?
C8L C7L H7D 109.6 . . ?
H7C C7L H7D 108.1 . . ?
O5L C8L C7L 107.5(10) . . ?
O5L C8L H8D 110.2 . . ?
C7L C8L H8D 110.2 . . ?
O5L C8L H8E 110.2 . . ?
C7L C8L H8E 110.2 . . ?
H8D C8L H8E 108.5 . . ?
C9L O5L C8L 111.4(6) . . ?
C9L O5L K1 114.7(6) . . ?
C8L O5L K1 102.0(3) . . ?
O5L C9L C10L 108.0(7) . . ?
O5L C9L H9D 110.1 . . ?
C10L C9L H9D 110.1 . . ?
O5L C9L H9E 110.1 . . ?
C10L C9L H9E 110.1 . . ?
H9D C9L H9E 108.4 . . ?
O6L C10L C9L 109.6(7) . . ?
O6L C10L H10C 109.7 . . ?
C9L C10L H10C 109.7 . . ?
O6L C10L H10D 109.7 . . ?
C9L C10L H10D 109.7 . . ?
H10C C10L H10D 108.2 . . ?
C10L O6L C11L 110.9(6) . . ?
C10L O6L K1 118.3(3) . . ?
C11L O6L K1 124.2(4) . . ?
O6L C11L C12L 107.7(6) . . ?
O6L C11L H11C 110.2 . . ?
C12L C11L H11C 110.2 . . ?
O6L C11L H11D 110.2 . . ?
C12L C11L H11D 110.2 . . ?
H11C C11L H11D 108.5 . . ?
O1L C12L C11L 108.4(5) . . ?
O1L C12L H12C 110.0 . . ?
C11L C12L H12C 110.0 . . ?
O1L C12L H12D 110.0 . . ?
C11L C12L H12D 110.0 . . ?
H12C C12L H12D 108.4 . . ?
C2D C1D C6D 120.0 . . ?
C2D C1D H1G 120.0 . . ?
C6D C1D H1G 120.0 . . ?
C1D C2D C3D 120.0 . . ?
C1D C2D H2H 120.0 . . ?
C3D C2D H2H 120.0 . . ?
C4D C3D C2D 120.0 . . ?
C4D C3D H3G 120.0 . . ?
C2D C3D H3G 120.0 . . ?
C3D C4D C5D 120.0 . . ?
C3D C4D H4G 120.0 . . ?
C5D C4D H4G 120.0 . . ?
C6D C5D C4D 120.0 . . ?
C6D C5D H5G 120.0 . . ?
C4D C5D H5G 120.0 . . ?
C5D C6D C1D 120.0 . . ?
C5D C6D H6F 120.0 . . ?
C1D C6D H6F 120.0 . . ?

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
O1A B1 C1 C2 -82.29(18) . . . . ?
C12 B1 C1 C2 160.35(15) . . . . ?
C13 B1 C1 C2 31.3(2) . . . . ?
O1A B1 C1 C6 91.55(17) . . . . ?
C12 B1 C1 C6 -25.8(2) . . . . ?
C13 B1 C1 C6 -154.89(15) . . . . ?
C6 C1 C2 C3 3.3(3) . . . . ?
B1 C1 C2 C3 177.28(16) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
C2 C3 C4 C5 -2.1(3) . . . . ?
C3 C4 C5 C6 1.4(3) . . . . ?
C4 C5 C6 C1 1.7(3) . . . . ?
C4 C5 C6 B2 -169.73(17) . . . . ?
C2 C1 C6 C5 -3.9(2) . . . . ?
B1 C1 C6 C5 -177.89(15) . . . . ?
C2 C1 C6 B2 167.67(15) . . . . ?
B1 C1 C6 B2 -6.3(2) . . . . ?
C5 C6 B2 O3A 89.95(18) . . . . ?
C1 C6 B2 O3A -81.30(18) . . . . ?
C5 C6 B2 C7 -155.57(15) . . . . ?
C1 C6 B2 C7 33.2(2) . . . . ?
C5 C6 B2 C25 -25.7(2) . . . . ?
C1 C6 B2 C25 163.09(15) . . . . ?
O3A B2 C7 C8 -85.68(18) . . . . ?
C6 B2 C7 C8 156.60(15) . . . . ?
C25 B2 C7 C8 26.6(2) . . . . ?
O3A B2 C7 C12 90.05(17) . . . . ?
C6 B2 C7 C12 -27.7(2) . . . . ?
C25 B2 C7 C12 -157.66(15) . . . . ?
C12 C7 C8 C9 1.2(3) . . . . ?
B2 C7 C8 C9 177.06(16) . . . . ?
C7 C8 C9 C10 0.6(3) . . . . ?
C8 C9 C10 C11 -1.5(3) . . . . ?
C9 C10 C11 C12 0.6(3) . . . . ?
C10 C11 C12 C7 1.2(3) . . . . ?
C10 C11 C12 B1 -172.26(17) . . . . ?
C8 C7 C12 C11 -2.1(2) . . . . ?
B2 C7 C12 C11 -177.90(16) . . . . ?
C8 C7 C12 B1 171.57(15) . . . . ?
B2 C7 C12 B1 -4.3(2) . . . . ?
O1A B1 C12 C11 92.27(19) . . . . ?
C1 B1 C12 C11 -155.33(16) . . . . ?
C13 B1 C12 C11 -25.6(2) . . . . ?
O1A B1 C12 C7 -81.09(18) . . . . ?
C1 B1 C12 C7 31.3(2) . . . . ?
C13 B1 C12 C7 161.02(15) . . . . ?
O1A B1 C13 C18 -14.10(19) . . . . ?
C1 B1 C13 C18 -124.91(16) . . . . ?
C12 B1 C13 C18 105.92(17) . . . . ?
O1A B1 C13 C14 169.42(14) . . . . ?
C1 B1 C13 C14 58.6(2) . . . . ?
C12 B1 C13 C14 -70.6(2) . . . . ?
C18 C13 C14 C15 -2.2(2) . . . . ?
B1 C13 C14 C15 174.40(16) . . . . ?
C18 C13 C14 P1 176.57(12) . . . . ?
B1 C13 C14 P1 -6.8(2) . . . . ?
C13 C14 C15 C16 1.0(3) . . . . ?
P1 C14 C15 C16 -177.83(14) . . . . ?
C14 C15 C16 C17 1.0(3) . . . . ?
C15 C16 C17 C18 -1.6(3) . . . . ?
C16 C17 C18 C13 0.3(3) . . . . ?
C14 C13 C18 C17 1.6(2) . . . . ?
B1 C13 C18 C17 -175.23(16) . . . . ?
C15 C14 P1 C22 -37.16(15) . . . . ?
C13 C14 P1 C22 144.01(14) . . . . ?
C15 C14 P1 C19 74.91(15) . . . . ?
C13 C14 P1 C19 -103.92(15) . . . . ?
C15 C14 P1 Au1 -160.00(11) . . . . ?
C13 C14 P1 Au1 21.18(16) . . . . ?
C14 P1 C19 C21 157.73(14) . . . . ?
C22 P1 C19 C21 -92.27(15) . . . . ?
Au1 P1 C19 C21 29.05(16) . . . . ?
C14 P1 C19 C20 -73.21(16) . . . . ?
C22 P1 C19 C20 36.79(17) . . . . ?
Au1 P1 C19 C20 158.12(12) . . . . ?
C14 P1 C22 C23 -60.12(15) . . . . ?
C19 P1 C22 C23 -169.82(14) . . . . ?
Au1 P1 C22 C23 67.61(14) . . . . ?
C14 P1 C22 C24 177.02(14) . . . . ?
C19 P1 C22 C24 67.33(15) . . . . ?
Au1 P1 C22 C24 -55.25(15) . . . . ?
O3A B2 C25 C30 -8.21(19) . . . . ?
C6 B2 C25 C30 110.35(17) . . . . ?
C7 B2 C25 C30 -120.33(16) . . . . ?
O3A B2 C25 C26 172.69(14) . . . . ?
C6 B2 C25 C26 -68.7(2) . . . . ?
C7 B2 C25 C26 60.6(2) . . . . ?
C30 C25 C26 C27 -0.8(2) . . . . ?
B2 C25 C26 C27 178.28(15) . . . . ?
C30 C25 C26 P2 176.81(12) . . . . ?
B2 C25 C26 P2 -4.1(2) . . . . ?
C25 C26 C27 C28 1.0(3) . . . . ?
P2 C26 C27 C28 -176.78(14) . . . . ?
C26 C27 C28 C29 -0.2(3) . . . . ?
C27 C28 C29 C30 -0.7(3) . . . . ?
C28 C29 C30 C25 0.8(3) . . . . ?
C26 C25 C30 C29 0.0(2) . . . . ?
B2 C25 C30 C29 -179.18(16) . . . . ?
C27 C26 P2 C34 -43.10(15) . . . . ?
C25 C26 P2 C34 139.17(14) . . . . ?
C27 C26 P2 C31 69.38(15) . . . . ?
C25 C26 P2 C31 -108.35(14) . . . . ?
C27 C26 P2 Au1 -164.85(11) . . . . ?
C25 C26 P2 Au1 17.43(16) . . . . ?
C26 P2 C31 C32 151.55(14) . . . . ?
C34 P2 C31 C32 -98.28(15) . . . . ?
Au1 P2 C31 C32 21.36(16) . . . . ?
C26 P2 C31 C33 -80.55(16) . . . . ?
C34 P2 C31 C33 29.62(17) . . . . ?
Au1 P2 C31 C33 149.26(13) . . . . ?
C26 P2 C34 C36 177.74(14) . . . . ?
C31 P2 C34 C36 67.60(16) . . . . ?
Au1 P2 C34 C36 -53.98(15) . . . . ?
C26 P2 C34 C35 -60.02(15) . . . . ?
C31 P2 C34 C35 -170.15(14) . . . . ?
Au1 P2 C34 C35 68.27(15) . . . . ?
C1 B1 O1A C1A -139.15(16) . . . . ?
C12 B1 O1A C1A -19.8(2) . . . . ?
C13 B1 O1A C1A 101.86(18) . . . . ?
B1 O1A C1A O2A 176.89(16) . . . . ?
O1A C1A O2A K1 -33.9(3) . . . . ?
C6 B2 O3A C2A -0.7(2) . . . . ?
C7 B2 O3A C2A -120.47(16) . . . . ?
C25 B2 O3A C2A 120.73(16) . . . . ?
B2 O3A C2A O4A -175.68(16) . . . . ?
O3A C2A O4A K1 -140.18(14) . . . . ?
C12K O1K C1K C2K -177.8(4) . . . . ?
K1 O1K C1K C2K 67.5(3) . . . . ?
O1K C1K C2K O2K -62.8(5) . . . . ?
C1K C2K O2K C3K 175.8(4) . . . . ?
C1K C2K O2K K1 21.1(6) . . . . ?
C2K O2K C3K C4K 172.3(4) . . . . ?
K1 O2K C3K C4K -32.6(5) . . . . ?
O2K C3K C4K O3K 67.6(4) . . . . ?
C3K C4K O3K C5K -178.0(3) . . . . ?
C3K C4K O3K K1 -64.5(3) . . . . ?
C4K O3K C5K C6K -178.1(4) . . . . ?
K1 O3K C5K C6K 68.6(4) . . . . ?
O3K C5K C6K O4K -64.5(6) . . . . ?
C5K C6K O4K C7K 176.7(4) . . . . ?
C5K C6K O4K K1 24.7(7) . . . . ?
C6K O4K C7K C8K 173.4(6) . . . . ?
K1 O4K C7K C8K -33.7(6) . . . . ?
O4K C7K C8K O5K 63.3(9) . . . . ?
C7K C8K O5K C9K -176.9(6) . . . . ?
C7K C8K O5K K1 -62.1(9) . . . . ?
C8K O5K C9K C10K -170.2(8) . . . . ?
K1 O5K C9K C10K 69.9(5) . . . . ?
O5K C9K C10K O6K -64.4(5) . . . . ?
C9K C10K O6K C11K 177.1(4) . . . . ?
C9K C10K O6K K1 21.4(5) . . . . ?
C10K O6K C11K C12K 173.6(4) . . . . ?
K1 O6K C11K C12K -32.5(4) . . . . ?
C1K O1K C12K C11K -172.0(4) . . . . ?
K1 O1K C12K C11K -59.5(4) . . . . ?
O6K C11K C12K O1K 63.2(5) . . . . ?
C6S C1S C2S C3S 0.0 . . . . ?
C1S C2S C3S C4S 0.0 . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C3S C4S C5S C6S 0.0 . . . . ?
C4S C5S C6S C1S 0.0 . . . . ?
C2S C1S C6S C5S 0.0 . . . . ?
C12L O1L C1L C2L 178.9(5) . . . . ?
K1 O1L C1L C2L 64.0(5) . . . . ?
O1L C1L C2L O2L -63.9(8) . . . . ?
C1L C2L O2L C3L 179.2(6) . . . . ?
C1L C2L O2L K1 22.6(9) . . . . ?
C2L O2L C3L C4L 177.2(7) . . . . ?
K1 O2L C3L C4L -24.2(9) . . . . ?
O2L C3L C4L O3L 64.9(8) . . . . ?
C3L C4L O3L C5L 178.2(7) . . . . ?
C3L C4L O3L K1 -67.4(6) . . . . ?
C4L O3L C5L C6L 176.0(7) . . . . ?
K1 O3L C5L C6L 63.5(9) . . . . ?
O3L C5L C6L O4L -65.2(10) . . . . ?
C5L C6L O4L C7L -176.4(11) . . . . ?
C5L C6L O4L K1 30.9(8) . . . . ?
C6L O4L C7L C8L -174.4(8) . . . . ?
K1 O4L C7L C8L -22.4(15) . . . . ?
O4L C7L C8L O5L 64.7(12) . . . . ?
C7L C8L O5L C9L 168.5(12) . . . . ?
C7L C8L O5L K1 -68.7(11) . . . . ?
C8L O5L C9L C10L 178.4(7) . . . . ?
K1 O5L C9L C10L 63.2(10) . . . . ?
O5L C9L C10L O6L -63.6(10) . . . . ?
C9L C10L O6L C11L -172.8(6) . . . . ?
C9L C10L O6L K1 34.5(6) . . . . ?
C10L O6L C11L C12L -179.4(4) . . . . ?
K1 O6L C11L C12L -28.6(7) . . . . ?
C1L O1L C12L C11L -178.6(5) . . . . ?
K1 O1L C12L C11L -68.2(5) . . . . ?
O6L C11L C12L O1L 65.4(6) . . . . ?
C6D C1D C2D C3D 0.0 . . . . ?
C1D C2D C3D C4D 0.0 . . . . ?
C2D C3D C4D C5D 0.0 . . . . ?
C3D C4D C5D C6D 0.0 . . . . ?
C4D C5D C6D C1D 0.0 . . . . ?
C2D C1D C6D C5D 0.0 . . . . ?

_refine_diff_density_max         0.800
_refine_diff_density_min         -0.511
_refine_diff_density_rms         0.065

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_hh190JT93r_0m
_database_code_depnum_ccdc_archive 'CCDC 1921502'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C88 H128.50 Au2 B4 K2 O4 P4'
_chemical_formula_weight         1889.65

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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. 
;

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

_cell_length_a                   17.3226(5)
_cell_length_b                   14.0750(4)
_cell_length_c                   18.5251(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.2727(5)
_cell_angle_gamma                90
_cell_volume                     4289.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9159
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      31.47

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_F_000             1929
_exptl_transmission_factor_min   0.569
_exptl_transmission_factor_max   0.715
_exptl_crystal_size_max          0.321
_exptl_crystal_size_mid          0.193
_exptl_crystal_size_min          0.102
_exptl_absorpt_coefficient_mu    3.637
_shelx_estimated_absorpt_T_min   0.388
_shelx_estimated_absorpt_T_max   0.708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            101496
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.853
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             13085
_reflns_number_gt                10560
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0092P)²+4.6165P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13085
_refine_ls_number_parameters     521
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0211
_refine_ls_wR_factor_ref         0.0429
_refine_ls_wR_factor_gt          0.0398
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.059
_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_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 0.56414(2) 0.25253(2) 0.80794(2) 0.01320(2) Uani 1 1 d . . . . .
B1 B 0.48381(13) 0.05372(15) 0.83715(12) 0.0149(4) Uani 1 1 d . . . . .
H1 H 0.4655(13) -0.0023(15) 0.8732(12) 0.018 Uiso 1 1 d . U . . .
C1 C 0.44037(11) 0.15321(13) 0.84885(10) 0.0139(3) Uani 1 1 d . . . . .
C2 C 0.36480(11) 0.18339(14) 0.79893(10) 0.0161(4) Uani 1 1 d . . . . .
H2 H 0.3404 0.1476 0.7541 0.019 Uiso 1 1 calc R U . . .
C3 C 0.32460(11) 0.26358(14) 0.81289(11) 0.0185(4) Uani 1 1 d . . . . .
H3 H 0.2743 0.2826 0.7774 0.022 Uiso 1 1 calc R U . . .
C4 C 0.35846(12) 0.31558(14) 0.87893(11) 0.0189(4) Uani 1 1 d . . . . .
H4 H 0.3310 0.3695 0.8898 0.023 Uiso 1 1 calc R U . . .
C5 C 0.43313(12) 0.28766(14) 0.92888(11) 0.0164(4) Uani 1 1 d . . . . .
H5 H 0.4559 0.3234 0.9741 0.020 Uiso 1 1 calc R U . . .
C6 C 0.47636(11) 0.20869(13) 0.91519(10) 0.0137(3) Uani 1 1 d . . . . .
B2 B 0.56345(13) 0.17857(15) 0.97424(11) 0.0138(4) Uani 1 1 d . . . . .
H2B H 0.5497(13) 0.1238(15) 1.0180(12) 0.017 Uiso 1 1 d . U . . .
C7 C 0.61946(11) 0.12236(13) 0.93237(10) 0.0134(3) Uani 1 1 d . . . . .
C8 C 0.70482(11) 0.12440(14) 0.96075(11) 0.0173(4) Uani 1 1 d . . . . .
H8 H 0.7302 0.1659 1.0017 0.021 Uiso 1 1 calc R U . . .
C9 C 0.75374(12) 0.06799(15) 0.93118(11) 0.0207(4) Uani 1 1 d . . . . .
H9 H 0.8113 0.0720 0.9512 0.025 Uiso 1 1 calc R U . . .
C10 C 0.71740(13) 0.00582(15) 0.87209(11) 0.0218(4) Uani 1 1 d . . . . .
H10 H 0.7498 -0.0342 0.8520 0.026 Uiso 1 1 calc R U . . .
C11 C 0.63305(12) 0.00277(14) 0.84255(11) 0.0180(4) Uani 1 1 d . . . . .
H11 H 0.6088 -0.0402 0.8023 0.022 Uiso 1 1 calc R U . . .
C12 C 0.58226(11) 0.06080(13) 0.86998(10) 0.0141(3) Uani 1 1 d . . . . .
C13 C 0.44841(11) 0.01653(13) 0.74980(10) 0.0146(3) Uani 1 1 d . . . . .
C14 C 0.46002(11) 0.06208(13) 0.68569(10) 0.0151(3) Uani 1 1 d . . . . .
C15 C 0.42116(12) 0.02752(14) 0.61189(11) 0.0188(4) Uani 1 1 d . . . . .
H15 H 0.4288 0.0598 0.5696 0.023 Uiso 1 1 calc R U . . .
C16 C 0.37191(12) -0.05269(15) 0.59951(11) 0.0208(4) Uani 1 1 d . . . . .
H16 H 0.3464 -0.0753 0.5494 0.025 Uiso 1 1 calc R U . . .
C17 C 0.36060(12) -0.09922(14) 0.66134(11) 0.0200(4) Uani 1 1 d . . . . .
H17 H 0.3275 -0.1545 0.6540 0.024 Uiso 1 1 calc R U . . .
C18 C 0.39800(12) -0.06444(14) 0.73412(11) 0.0174(4) Uani 1 1 d . . . . .
H18 H 0.3891 -0.0971 0.7757 0.021 Uiso 1 1 calc R U . . .
P1 P 0.52624(3) 0.16640(3) 0.69543(3) 0.01382(9) Uani 1 1 d . . . . .
C19 C 0.61755(12) 0.11916(14) 0.67442(11) 0.0177(4) Uani 1 1 d . . . . .
H19 H 0.6300 0.0569 0.7016 0.021 Uiso 1 1 calc R U . . .
C20 C 0.60448(14) 0.09686(16) 0.59052(11) 0.0247(4) Uani 1 1 d . . . . .
H20A H 0.5915 0.1556 0.5607 0.037 Uiso 1 1 calc R U . . .
H20B H 0.5594 0.0518 0.5722 0.037 Uiso 1 1 calc R U . . .
H20C H 0.6541 0.0689 0.5850 0.037 Uiso 1 1 calc R U . . .
C21 C 0.69306(13) 0.18109(16) 0.70841(12) 0.0237(4) Uani 1 1 d . . . . .
H21A H 0.7404 0.1504 0.7002 0.035 Uiso 1 1 calc R U . . .
H21B H 0.7025 0.1890 0.7631 0.035 Uiso 1 1 calc R U . . .
H21C H 0.6845 0.2435 0.6837 0.035 Uiso 1 1 calc R U . . .
C22 C 0.47201(12) 0.24442(15) 0.61501(10) 0.0190(4) Uani 1 1 d . . . . .
H22 H 0.4615 0.2076 0.5667 0.023 Uiso 1 1 calc R U . . .
C23 C 0.39014(13) 0.27377(15) 0.62330(12) 0.0242(4) Uani 1 1 d . . . . .
H23A H 0.3990 0.3043 0.6728 0.036 Uiso 1 1 calc R U . . .
H23B H 0.3560 0.2174 0.6197 0.036 Uiso 1 1 calc R U . . .
H23C H 0.3630 0.3185 0.5827 0.036 Uiso 1 1 calc R U . . .
C24 C 0.52225(14) 0.33234(15) 0.61032(12) 0.0252(4) Uani 1 1 d . . . . .
H24A H 0.4903 0.3739 0.5694 0.038 Uiso 1 1 calc R U . . .
H24B H 0.5720 0.3127 0.5999 0.038 Uiso 1 1 calc R U . . .
H24C H 0.5366 0.3667 0.6587 0.038 Uiso 1 1 calc R U . . .
C25 C 0.60996(11) 0.26742(13) 1.02607(10) 0.0139(3) Uani 1 1 d . . . . .
C26 C 0.63717(11) 0.35002(13) 0.99807(10) 0.0145(3) Uani 1 1 d . . . . .
C27 C 0.68082(12) 0.42054(14) 1.04779(11) 0.0186(4) Uani 1 1 d . . . . .
H27 H 0.7002 0.4743 1.0277 0.022 Uiso 1 1 calc R U . . .
C28 C 0.69619(12) 0.41329(14) 1.12566(11) 0.0198(4) Uani 1 1 d . . . . .
H28 H 0.7262 0.4612 1.1588 0.024 Uiso 1 1 calc R U . . .
C29 C 0.66714(12) 0.33513(14) 1.15414(11) 0.0193(4) Uani 1 1 d . . . . .
H29 H 0.6751 0.3302 1.2071 0.023 Uiso 1 1 calc R U . . .
C30 C 0.62626(12) 0.26371(14) 1.10533(10) 0.0176(4) Uani 1 1 d . . . . .
H30 H 0.6084 0.2097 1.1265 0.021 Uiso 1 1 calc R U . . .
P2 P 0.61243(3) 0.37379(3) 0.89580(3) 0.01342(9) Uani 1 1 d . . . . .
C31 C 0.53804(12) 0.47375(14) 0.87932(11) 0.0197(4) Uani 1 1 d . . . . .
H31 H 0.5045 0.4614 0.9135 0.024 Uiso 1 1 calc R U . . .
C32 C 0.47850(13) 0.47318(15) 0.79823(12) 0.0241(4) Uani 1 1 d . . . . .
H32A H 0.4372 0.5225 0.7934 0.036 Uiso 1 1 calc R U . . .
H32B H 0.4520 0.4109 0.7874 0.036 Uiso 1 1 calc R U . . .
H32C H 0.5082 0.4858 0.7621 0.036 Uiso 1 1 calc R U . . .
C33 C 0.57511(15) 0.57221(16) 0.90084(13) 0.0287(5) Uani 1 1 d . . . . .
H33A H 0.6073 0.5892 0.8677 0.043 Uiso 1 1 calc R U . . .
H33B H 0.6102 0.5717 0.9539 0.043 Uiso 1 1 calc R U . . .
H33C H 0.5316 0.6189 0.8948 0.043 Uiso 1 1 calc R U . . .
C34 C 0.70710(12) 0.42340(14) 0.88518(11) 0.0174(4) Uani 1 1 d . . . . .
H34 H 0.7202 0.4836 0.9153 0.021 Uiso 1 1 calc R U . . .
C35 C 0.77761(12) 0.35407(16) 0.91665(12) 0.0238(4) Uani 1 1 d . . . . .
H35A H 0.7658 0.2944 0.8880 0.036 Uiso 1 1 calc R U . . .
H35B H 0.7847 0.3414 0.9704 0.036 Uiso 1 1 calc R U . . .
H35C H 0.8276 0.3819 0.9118 0.036 Uiso 1 1 calc R U . . .
C36 C 0.69589(13) 0.44700(15) 0.80176(11) 0.0216(4) Uani 1 1 d . . . . .
H36A H 0.7468 0.4723 0.7972 0.032 Uiso 1 1 calc R U . . .
H36B H 0.6528 0.4945 0.7837 0.032 Uiso 1 1 calc R U . . .
H36C H 0.6809 0.3892 0.7710 0.032 Uiso 1 1 calc R U . . .
K1 K 0.39875(3) 0.06045(3) 0.98699(2) 0.01777(8) Uani 1 1 d . . . . .
C1E C 0.23792(14) -0.01682(17) 0.84063(13) 0.0297(5) Uani 1 1 d D . . . .
H1A H 0.2753 0.0215 0.8225 0.045 Uiso 1 1 calc R U . . .
H1B H 0.2022 -0.0534 0.7982 0.045 Uiso 1 1 calc R U . . .
H1C H 0.2691 -0.0605 0.8803 0.045 Uiso 1 1 calc R U . . .
C2E C 0.18742(13) 0.04760(18) 0.87275(13) 0.0301(5) Uani 1 1 d D . . . .
H2C H 0.1540 0.0901 0.8324 0.036 Uiso 1 1 calc R U . . .
H2D H 0.1505 0.0093 0.8925 0.036 Uiso 1 1 calc R U . . .
O3E O 0.24038(9) 0.10257(11) 0.93266(8) 0.0225(3) Uani 1 1 d D . . . .
C4E C 0.19773(14) 0.16545(17) 0.96669(14) 0.0313(5) Uani 1 1 d D . . . .
H4A H 0.1641 0.1287 0.9913 0.038 Uiso 1 1 calc R U . . .
H4B H 0.1613 0.2068 0.9274 0.038 Uiso 1 1 calc R U . . .
C5E C 0.25825(17) 0.22498(17) 1.02484(15) 0.0365(6) Uani 1 1 d D . . . .
H5A H 0.2935 0.1837 1.0640 0.055 Uiso 1 1 calc R U . . .
H5B H 0.2294 0.2691 1.0483 0.055 Uiso 1 1 calc R U . . .
H5C H 0.2913 0.2611 1.0001 0.055 Uiso 1 1 calc R U . . .
O1T O 0.5739(2) 0.64870(19) 0.72496(16) 0.0559(8) Uani 0.874(4) 1 d . . P A 1
C1T C 0.5497(3) 0.7403(2) 0.7394(2) 0.0452(9) Uani 0.874(4) 1 d . . P A 1
H1D H 0.5821 0.7622 0.7908 0.054 Uiso 0.874(4) 1 calc R U P A 1
H1E H 0.4915 0.7411 0.7356 0.054 Uiso 0.874(4) 1 calc R U P A 1
C2T C 0.56528(18) 0.8032(2) 0.67833(16) 0.0320(7) Uani 0.874(4) 1 d . . P A 1
H2E H 0.5295 0.8597 0.6679 0.038 Uiso 0.874(4) 1 calc R U P A 1
H2F H 0.6227 0.8239 0.6929 0.038 Uiso 0.874(4) 1 calc R U P A 1
C3T C 0.54450(18) 0.7362(2) 0.61032(16) 0.0381(7) Uani 0.874(4) 1 d . . P A 1
H3A H 0.4861 0.7398 0.5807 0.046 Uiso 0.874(4) 1 calc R U P A 1
H3B H 0.5773 0.7507 0.5765 0.046 Uiso 0.874(4) 1 calc R U P A 1
C4T C 0.5663(3) 0.6399(3) 0.6477(2) 0.0523(10) Uani 0.874(4) 1 d . . P A 1
H4C H 0.5233 0.5932 0.6233 0.063 Uiso 0.874(4) 1 calc R U P A 1
H4D H 0.6181 0.6173 0.6419 0.063 Uiso 0.874(4) 1 calc R U P A 1
C1D C 0.5473(19) 0.764(2) 0.8071(14) 0.072(8) Uani 0.126(4) 1 d D U P A 2
H1F H 0.5371 0.8275 0.8235 0.108 Uiso 0.126(4) 1 calc R U P A 2
H1G H 0.5951 0.7363 0.8449 0.108 Uiso 0.126(4) 1 calc R U P A 2
H1H H 0.4999 0.7233 0.8020 0.108 Uiso 0.126(4) 1 calc R U P A 2
C2D C 0.563(2) 0.7707(14) 0.7293(13) 0.0452(9) Uani 0.126(4) 1 d D U P A 2
H2G H 0.5255 0.8165 0.6952 0.054 Uiso 0.126(4) 1 calc R U P A 2
H2H H 0.6198 0.7900 0.7358 0.054 Uiso 0.126(4) 1 calc R U P A 2
O3D O 0.5478(16) 0.6756(13) 0.7005(10) 0.066(5) Uani 0.126(4) 1 d D U P A 2
C4D C 0.557(2) 0.6751(16) 0.6255(13) 0.0523(10) Uani 0.126(4) 1 d D U P A 2
H4E H 0.6110 0.6984 0.6266 0.063 Uiso 0.126(4) 1 calc R U P A 2
H4F H 0.5143 0.7143 0.5895 0.063 Uiso 0.126(4) 1 calc R U P A 2
C5D C 0.5463(13) 0.5716(13) 0.6049(12) 0.041(5) Uani 0.126(4) 1 d D U P A 2
H5D H 0.5465 0.5631 0.5525 0.061 Uiso 0.126(4) 1 calc R U P A 2
H5E H 0.4945 0.5490 0.6095 0.061 Uiso 0.126(4) 1 calc R U P A 2
H5F H 0.5911 0.5353 0.6394 0.061 Uiso 0.126(4) 1 calc R U P 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 P1 2.3210(5) . ?
Au1 P2 2.3254(5) . ?
B1 C12 1.624(3) . ?
B1 C13 1.627(3) . ?
B1 C1 1.636(3) . ?
B1 K1 3.528(2) . ?
B1 H1 1.14(2) . ?
C1 C2 1.411(3) . ?
C1 C6 1.424(3) . ?
C1 K1 3.1513(18) . ?
C2 C3 1.392(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.388(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.407(3) . ?
C5 K1 3.485(2) . ?
C5 H5 0.9500 . ?
C6 B2 1.618(3) . ?
C6 K1 3.0086(18) . ?
B2 C7 1.625(3) . ?
B2 C25 1.628(3) . ?
B2 K1 3.374(2) . ?
B2 H2B 1.20(2) . ?
C7 C8 1.406(3) . ?
C7 C12 1.427(3) . ?
C8 C9 1.393(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.389(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.391(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.407(3) . ?
C11 H11 0.9500 . ?
C13 C18 1.410(3) . ?
C13 C14 1.418(3) . ?
C14 C15 1.408(3) . ?
C14 P1 1.837(2) . ?
C15 C16 1.390(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.389(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
P1 C22 1.8521(19) . ?
P1 C19 1.8659(19) . ?
C19 C20 1.531(3) . ?
C19 C21 1.533(3) . ?
C19 H19 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 1.530(3) . ?
C22 C24 1.531(3) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.407(2) . ?
C25 C26 1.413(3) . ?
C26 C27 1.403(3) . ?
C26 P2 1.8374(18) . ?
C27 C28 1.386(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(3) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
P2 C34 1.8489(19) . ?
P2 C31 1.867(2) . ?
C31 C33 1.527(3) . ?
C31 C32 1.533(3) . ?
C31 H31 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 1.529(3) . ?
C34 C36 1.532(3) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
K1 O3E 2.6757(15) . ?
K1 C1E 3.400(2) . ?
K1 H1 2.84(2) . ?
K1 H2B 2.65(2) . ?
C1E C2E 1.506(3) . ?
C1E H1A 0.9800 . ?
C1E H1B 0.9800 . ?
C1E H1C 0.9800 . ?
C2E O3E 1.426(3) . ?
C2E H2C 0.9900 . ?
C2E H2D 0.9900 . ?
O3E C4E 1.421(3) . ?
C4E C5E 1.501(4) . ?
C4E H4A 0.9900 . ?
C4E H4B 0.9900 . ?
C5E H5A 0.9800 . ?
C5E H5B 0.9800 . ?
C5E H5C 0.9800 . ?
O1T C4T 1.401(4) . ?
O1T C1T 1.407(4) . ?
C1T C2T 1.524(4) . ?
C1T H1D 0.9900 . ?
C1T H1E 0.9900 . ?
C2T C3T 1.523(4) . ?
C2T H2E 0.9900 . ?
C2T H2F 0.9900 . ?
C3T C4T 1.516(5) . ?
C3T H3A 0.9900 . ?
C3T H3B 0.9900 . ?
C4T H4C 0.9900 . ?
C4T H4D 0.9900 . ?
C1D C2D 1.550(18) . ?
C1D H1F 0.9800 . ?
C1D H1G 0.9800 . ?
C1D H1H 0.9800 . ?
C2D O3D 1.435(17) . ?
C2D H2G 0.9900 . ?
C2D H2H 0.9900 . ?
O3D C4D 1.446(17) . ?
C4D C5D 1.502(18) . ?
C4D H4E 0.9900 . ?
C4D H4F 0.9900 . ?
C5D H5D 0.9800 . ?
C5D H5E 0.9800 . ?
C5D H5F 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
P1 Au1 P2 161.855(17) . . ?
C12 B1 C13 114.60(15) . . ?
C12 B1 C1 111.74(15) . . ?
C13 B1 C1 111.20(15) . . ?
C12 B1 K1 110.63(11) . . ?
C13 B1 K1 132.15(12) . . ?
C1 B1 K1 63.25(9) . . ?
C12 B1 H1 105.9(11) . . ?
C13 B1 H1 105.8(11) . . ?
C1 B1 H1 106.9(11) . . ?
K1 B1 H1 45.3(11) . . ?
C2 C1 C6 117.77(17) . . ?
C2 C1 B1 122.80(16) . . ?
C6 C1 B1 119.24(16) . . ?
C2 C1 K1 104.81(11) . . ?
C6 C1 K1 71.10(10) . . ?
B1 C1 K1 89.13(10) . . ?
C3 C2 C1 122.52(17) . . ?
C3 C2 H2 118.7 . . ?
C1 C2 H2 118.7 . . ?
C4 C3 C2 119.56(18) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.05(18) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C6 122.68(18) . . ?
C4 C5 K1 104.57(12) . . ?
C6 C5 K1 58.86(10) . . ?
C4 C5 H5 118.7 . . ?
C6 C5 H5 118.7 . . ?
K1 C5 H5 106.1 . . ?
C5 C6 C1 118.35(17) . . ?
C5 C6 B2 121.42(16) . . ?
C1 C6 B2 120.19(16) . . ?
C5 C6 K1 97.54(12) . . ?
C1 C6 K1 82.29(11) . . ?
B2 C6 K1 88.31(10) . . ?
C6 B2 C7 112.00(15) . . ?
C6 B2 C25 112.43(15) . . ?
C7 B2 C25 113.35(15) . . ?
C6 B2 K1 63.05(9) . . ?
C7 B2 K1 115.98(12) . . ?
C25 B2 K1 127.61(11) . . ?
C6 B2 H2B 106.6(10) . . ?
C7 B2 H2B 106.6(10) . . ?
C25 B2 H2B 105.3(10) . . ?
C8 C7 C12 118.05(17) . . ?
C8 C7 B2 121.81(16) . . ?
C12 C7 B2 119.79(16) . . ?
C9 C8 C7 122.66(19) . . ?
C9 C8 H8 118.7 . . ?
C7 C8 H8 118.7 . . ?
C10 C9 C8 119.21(19) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C9 C10 C11 119.36(18) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 122.59(18) . . ?
C10 C11 H11 118.7 . . ?
C12 C11 H11 118.7 . . ?
C11 C12 C7 118.07(17) . . ?
C11 C12 B1 122.09(17) . . ?
C7 C12 B1 119.68(16) . . ?
C18 C13 C14 115.74(16) . . ?
C18 C13 B1 118.75(16) . . ?
C14 C13 B1 125.41(17) . . ?
C15 C14 C13 120.46(18) . . ?
C15 C14 P1 117.73(14) . . ?
C13 C14 P1 121.81(14) . . ?
C16 C15 C14 121.52(18) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C17 C16 C15 119.08(18) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C16 C17 C18 119.47(19) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C17 C18 C13 123.72(18) . . ?
C17 C18 H18 118.1 . . ?
C13 C18 H18 118.1 . . ?
C14 P1 C22 104.56(9) . . ?
C14 P1 C19 103.81(9) . . ?
C22 P1 C19 107.03(9) . . ?
C14 P1 Au1 119.86(6) . . ?
C22 P1 Au1 110.00(7) . . ?
C19 P1 Au1 110.72(6) . . ?
C20 C19 C21 111.65(17) . . ?
C20 C19 P1 114.80(14) . . ?
C21 C19 P1 112.43(14) . . ?
C20 C19 H19 105.7 . . ?
C21 C19 H19 105.7 . . ?
P1 C19 H19 105.7 . . ?
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 C24 110.40(17) . . ?
C23 C22 P1 109.36(13) . . ?
C24 C22 P1 111.78(14) . . ?
C23 C22 H22 108.4 . . ?
C24 C22 H22 108.4 . . ?
P1 C22 H22 108.4 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 115.65(17) . . ?
C30 C25 B2 119.17(16) . . ?
C26 C25 B2 125.17(16) . . ?
C27 C26 C25 120.95(17) . . ?
C27 C26 P2 116.84(14) . . ?
C25 C26 P2 122.11(14) . . ?
C28 C27 C26 121.28(18) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C29 C28 C27 118.82(18) . . ?
C29 C28 H28 120.6 . . ?
C27 C28 H28 120.6 . . ?
C28 C29 C30 120.01(18) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 123.19(18) . . ?
C29 C30 H30 118.4 . . ?
C25 C30 H30 118.4 . . ?
C26 P2 C34 104.51(9) . . ?
C26 P2 C31 103.40(9) . . ?
C34 P2 C31 106.72(9) . . ?
C26 P2 Au1 120.30(6) . . ?
C34 P2 Au1 109.82(6) . . ?
C31 P2 Au1 111.12(7) . . ?
C33 C31 C32 111.06(17) . . ?
C33 C31 P2 115.41(15) . . ?
C32 C31 P2 111.98(14) . . ?
C33 C31 H31 105.9 . . ?
C32 C31 H31 105.9 . . ?
P2 C31 H31 105.9 . . ?
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 . . ?
C35 C34 C36 110.88(17) . . ?
C35 C34 P2 110.34(13) . . ?
C36 C34 P2 110.67(13) . . ?
C35 C34 H34 108.3 . . ?
C36 C34 H34 108.3 . . ?
P2 C34 H34 108.3 . . ?
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 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O3E K1 C6 103.16(5) . . ?
O3E K1 C1 94.09(5) . . ?
C6 K1 C1 26.61(5) . . ?
O3E K1 B2 130.87(5) . . ?
C6 K1 B2 28.64(5) . . ?
C1 K1 B2 47.56(5) . . ?
O3E K1 C1E 44.25(5) . . ?
C6 K1 C1E 103.73(5) . . ?
C1 K1 C1E 79.85(5) . . ?
B2 K1 C1E 126.96(5) . . ?
O3E K1 C5 86.26(5) . . ?
C6 K1 C5 23.60(5) . . ?
C1 K1 C5 42.62(5) . . ?
B2 K1 C5 45.25(5) . . ?
C1E K1 C5 102.94(5) . . ?
O3E K1 B1 109.99(5) . . ?
C6 K1 B1 46.85(5) . . ?
C1 K1 B1 27.62(5) . . ?
B2 K1 B1 52.21(5) . . ?
C1E K1 B1 78.69(5) . . ?
C5 K1 B1 68.14(5) . . ?
O3E K1 H1 113.4(4) . . ?
C6 K1 H1 63.0(4) . . ?
C1 K1 H1 43.7(4) . . ?
B2 K1 H1 63.4(4) . . ?
C1E K1 H1 74.4(4) . . ?
C5 K1 H1 84.7(4) . . ?
B1 K1 H1 16.6(4) . . ?
O3E K1 H2B 146.4(5) . . ?
C6 K1 H2B 46.8(5) . . ?
C1 K1 H2B 64.8(5) . . ?
B2 K1 H2B 18.3(5) . . ?
C1E K1 H2B 141.9(5) . . ?
C5 K1 H2B 60.4(5) . . ?
B1 K1 H2B 63.4(5) . . ?
H1 K1 H2B 70.2(6) . . ?
C2E C1E K1 85.67(13) . . ?
C2E C1E H1A 109.5 . . ?
K1 C1E H1A 68.5 . . ?
C2E C1E H1B 109.5 . . ?
K1 C1E H1B 164.0 . . ?
H1A C1E H1B 109.5 . . ?
C2E C1E H1C 109.5 . . ?
K1 C1E H1C 58.7 . . ?
H1A C1E H1C 109.5 . . ?
H1B C1E H1C 109.5 . . ?
O3E C2E C1E 108.81(18) . . ?
O3E C2E H2C 109.9 . . ?
C1E C2E H2C 109.9 . . ?
O3E C2E H2D 109.9 . . ?
C1E C2E H2D 109.9 . . ?
H2C C2E H2D 108.3 . . ?
C4E O3E C2E 112.72(17) . . ?
C4E O3E K1 125.84(13) . . ?
C2E O3E K1 120.40(13) . . ?
O3E C4E C5E 108.84(19) . . ?
O3E C4E H4A 109.9 . . ?
C5E C4E H4A 109.9 . . ?
O3E C4E H4B 109.9 . . ?
C5E C4E H4B 109.9 . . ?
H4A C4E H4B 108.3 . . ?
C4E C5E H5A 109.5 . . ?
C4E C5E H5B 109.5 . . ?
H5A C5E H5B 109.5 . . ?
C4E C5E H5C 109.5 . . ?
H5A C5E H5C 109.5 . . ?
H5B C5E H5C 109.5 . . ?
C4T O1T C1T 109.7(3) . . ?
O1T C1T C2T 105.0(2) . . ?
O1T C1T H1D 110.8 . . ?
C2T C1T H1D 110.8 . . ?
O1T C1T H1E 110.8 . . ?
C2T C1T H1E 110.8 . . ?
H1D C1T H1E 108.8 . . ?
C3T C2T C1T 101.8(2) . . ?
C3T C2T H2E 111.4 . . ?
C1T C2T H2E 111.4 . . ?
C3T C2T H2F 111.4 . . ?
C1T C2T H2F 111.4 . . ?
H2E C2T H2F 109.3 . . ?
C4T C3T C2T 102.4(2) . . ?
C4T C3T H3A 111.3 . . ?
C2T C3T H3A 111.3 . . ?
C4T C3T H3B 111.3 . . ?
C2T C3T H3B 111.3 . . ?
H3A C3T H3B 109.2 . . ?
O1T C4T C3T 108.5(3) . . ?
O1T C4T H4C 110.0 . . ?
C3T C4T H4C 110.0 . . ?
O1T C4T H4D 110.0 . . ?
C3T C4T H4D 110.0 . . ?
H4C C4T H4D 108.4 . . ?
C2D C1D H1F 109.5 . . ?
C2D C1D H1G 109.5 . . ?
H1F C1D H1G 109.5 . . ?
C2D C1D H1H 109.5 . . ?
H1F C1D H1H 109.5 . . ?
H1G C1D H1H 109.5 . . ?
O3D C2D C1D 102.8(16) . . ?
O3D C2D H2G 111.2 . . ?
C1D C2D H2G 111.2 . . ?
O3D C2D H2H 111.2 . . ?
C1D C2D H2H 111.2 . . ?
H2G C2D H2H 109.1 . . ?
C2D O3D C4D 107.4(16) . . ?
O3D C4D C5D 102.0(17) . . ?
O3D C4D H4E 111.4 . . ?
C5D C4D H4E 111.4 . . ?
O3D C4D H4F 111.4 . . ?
C5D C4D H4F 111.4 . . ?
H4E C4D H4F 109.2 . . ?
C4D C5D H5D 109.5 . . ?
C4D C5D H5E 109.5 . . ?
H5D C5D H5E 109.5 . . ?
C4D C5D H5F 109.5 . . ?
H5D C5D H5F 109.5 . . ?
H5E C5D H5F 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
C12 B1 C1 C2 149.95(17) . . . . ?
C13 B1 C1 C2 20.5(2) . . . . ?
K1 B1 C1 C2 -107.12(17) . . . . ?
C12 B1 C1 C6 -35.2(2) . . . . ?
C13 B1 C1 C6 -164.69(16) . . . . ?
K1 B1 C1 C6 67.68(14) . . . . ?
C12 B1 C1 K1 -102.93(13) . . . . ?
C13 B1 C1 K1 127.63(13) . . . . ?
C6 C1 C2 C3 -0.9(3) . . . . ?
B1 C1 C2 C3 173.98(17) . . . . ?
K1 C1 C2 C3 75.25(19) . . . . ?
C1 C2 C3 C4 -1.4(3) . . . . ?
C2 C3 C4 C5 1.7(3) . . . . ?
C3 C4 C5 C6 0.3(3) . . . . ?
C3 C4 C5 K1 -61.81(19) . . . . ?
C4 C5 C6 C1 -2.5(3) . . . . ?
K1 C5 C6 C1 85.28(16) . . . . ?
C4 C5 C6 B2 179.56(18) . . . . ?
K1 C5 C6 B2 -92.64(16) . . . . ?
C4 C5 C6 K1 -87.80(19) . . . . ?
C2 C1 C6 C5 2.7(3) . . . . ?
B1 C1 C6 C5 -172.31(17) . . . . ?
K1 C1 C6 C5 -94.44(16) . . . . ?
C2 C1 C6 B2 -179.31(16) . . . . ?
B1 C1 C6 B2 5.6(2) . . . . ?
K1 C1 C6 B2 83.50(15) . . . . ?
C2 C1 C6 K1 97.19(15) . . . . ?
B1 C1 C6 K1 -77.87(15) . . . . ?
C5 C6 B2 C7 -153.25(17) . . . . ?
C1 C6 B2 C7 28.9(2) . . . . ?
K1 C6 B2 C7 108.94(13) . . . . ?
C5 C6 B2 C25 -24.2(2) . . . . ?
C1 C6 B2 C25 157.87(16) . . . . ?
K1 C6 B2 C25 -122.06(13) . . . . ?
C5 C6 B2 K1 97.81(17) . . . . ?
C1 C6 B2 K1 -80.07(15) . . . . ?
C6 B2 C7 C8 152.44(17) . . . . ?
C25 B2 C7 C8 23.9(2) . . . . ?
K1 B2 C7 C8 -137.86(15) . . . . ?
C6 B2 C7 C12 -34.5(2) . . . . ?
C25 B2 C7 C12 -162.99(16) . . . . ?
K1 B2 C7 C12 35.2(2) . . . . ?
C12 C7 C8 C9 -1.0(3) . . . . ?
B2 C7 C8 C9 172.18(18) . . . . ?
C7 C8 C9 C10 -1.1(3) . . . . ?
C8 C9 C10 C11 1.5(3) . . . . ?
C9 C10 C11 C12 0.3(3) . . . . ?
C10 C11 C12 C7 -2.3(3) . . . . ?
C10 C11 C12 B1 -177.64(18) . . . . ?
C8 C7 C12 C11 2.6(3) . . . . ?
B2 C7 C12 C11 -170.70(16) . . . . ?
C8 C7 C12 B1 178.06(16) . . . . ?
B2 C7 C12 B1 4.7(2) . . . . ?
C13 B1 C12 C11 -27.4(2) . . . . ?
C1 B1 C12 C11 -155.07(17) . . . . ?
K1 B1 C12 C11 136.50(15) . . . . ?
C13 B1 C12 C7 157.34(16) . . . . ?
C1 B1 C12 C7 29.7(2) . . . . ?
K1 B1 C12 C7 -38.73(19) . . . . ?
C12 B1 C13 C18 123.20(18) . . . . ?
C1 B1 C13 C18 -108.88(19) . . . . ?
K1 B1 C13 C18 -36.3(2) . . . . ?
C12 B1 C13 C14 -60.6(2) . . . . ?
C1 B1 C13 C14 67.3(2) . . . . ?
K1 B1 C13 C14 139.81(16) . . . . ?
C18 C13 C14 C15 1.3(3) . . . . ?
B1 C13 C14 C15 -174.97(18) . . . . ?
C18 C13 C14 P1 -178.10(14) . . . . ?
B1 C13 C14 P1 5.6(3) . . . . ?
C13 C14 C15 C16 -1.3(3) . . . . ?
P1 C14 C15 C16 178.11(15) . . . . ?
C14 C15 C16 C17 0.3(3) . . . . ?
C15 C16 C17 C18 0.5(3) . . . . ?
C16 C17 C18 C13 -0.5(3) . . . . ?
C14 C13 C18 C17 -0.4(3) . . . . ?
B1 C13 C18 C17 176.11(18) . . . . ?
C15 C14 P1 C22 39.53(17) . . . . ?
C13 C14 P1 C22 -141.06(15) . . . . ?
C15 C14 P1 C19 -72.51(16) . . . . ?
C13 C14 P1 C19 106.89(16) . . . . ?
C15 C14 P1 Au1 163.34(12) . . . . ?
C13 C14 P1 Au1 -17.25(18) . . . . ?
C14 P1 C19 C20 73.34(16) . . . . ?
C22 P1 C19 C20 -36.90(18) . . . . ?
Au1 P1 C19 C20 -156.79(13) . . . . ?
C14 P1 C19 C21 -157.57(14) . . . . ?
C22 P1 C19 C21 92.19(15) . . . . ?
Au1 P1 C19 C21 -27.70(15) . . . . ?
C14 P1 C22 C23 62.09(16) . . . . ?
C19 P1 C22 C23 171.81(14) . . . . ?
Au1 P1 C22 C23 -67.84(15) . . . . ?
C14 P1 C22 C24 -175.34(14) . . . . ?
C19 P1 C22 C24 -65.62(16) . . . . ?
Au1 P1 C22 C24 54.73(15) . . . . ?
C6 B2 C25 C30 117.20(18) . . . . ?
C7 B2 C25 C30 -114.51(18) . . . . ?
K1 B2 C25 C30 44.7(2) . . . . ?
C6 B2 C25 C26 -63.6(2) . . . . ?
C7 B2 C25 C26 64.7(2) . . . . ?
K1 B2 C25 C26 -136.08(15) . . . . ?
C30 C25 C26 C27 2.9(3) . . . . ?
B2 C25 C26 C27 -176.38(17) . . . . ?
C30 C25 C26 P2 -173.51(14) . . . . ?
B2 C25 C26 P2 7.3(3) . . . . ?
C25 C26 C27 C28 -2.3(3) . . . . ?
P2 C26 C27 C28 174.20(16) . . . . ?
C26 C27 C28 C29 -0.5(3) . . . . ?
C27 C28 C29 C30 2.6(3) . . . . ?
C28 C29 C30 C25 -2.0(3) . . . . ?
C26 C25 C30 C29 -0.7(3) . . . . ?
B2 C25 C30 C29 178.55(18) . . . . ?
C27 C26 P2 C34 43.75(17) . . . . ?
C25 C26 P2 C34 -139.75(15) . . . . ?
C27 C26 P2 C31 -67.78(16) . . . . ?
C25 C26 P2 C31 108.71(16) . . . . ?
C27 C26 P2 Au1 167.60(12) . . . . ?
C25 C26 P2 Au1 -15.90(18) . . . . ?
C26 P2 C31 C33 80.41(17) . . . . ?
C34 P2 C31 C33 -29.50(18) . . . . ?
Au1 P2 C31 C33 -149.21(14) . . . . ?
C26 P2 C31 C32 -151.23(15) . . . . ?
C34 P2 C31 C32 98.87(16) . . . . ?
Au1 P2 C31 C32 -20.84(17) . . . . ?
C26 P2 C34 C35 56.82(15) . . . . ?
C31 P2 C34 C35 165.95(14) . . . . ?
Au1 P2 C34 C35 -73.51(14) . . . . ?
C26 P2 C34 C36 179.92(14) . . . . ?
C31 P2 C34 C36 -70.95(16) . . . . ?
Au1 P2 C34 C36 49.59(15) . . . . ?
K1 C1E C2E O3E 7.28(16) . . . . ?
C1E C2E O3E C4E -179.75(18) . . . . ?
C1E C2E O3E K1 -10.7(2) . . . . ?
C2E O3E C4E C5E -175.91(19) . . . . ?
K1 O3E C4E C5E 15.8(2) . . . . ?
C4T O1T C1T C2T -26.9(4) . . . . ?
O1T C1T C2T C3T 35.5(4) . . . . ?
C1T C2T C3T C4T -30.3(3) . . . . ?
C1T O1T C4T C3T 6.8(5) . . . . ?
C2T C3T C4T O1T 15.9(4) . . . . ?
C1D C2D O3D C4D 177(3) . . . . ?
C2D O3D C4D C5D 175(2) . . . . ?

_refine_diff_density_max         1.030
_refine_diff_density_min         -0.977
_refine_diff_density_rms         0.085

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_hh233JT117_0m
_database_code_depnum_ccdc_archive 'CCDC 1921505'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C55 H74 Au B2 K O9 P2'
_chemical_formula_weight         1198.76

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.085(3)
_cell_length_b                   17.761(3)
_cell_length_c                   18.264(3)
_cell_angle_alpha                91.133(2)
_cell_angle_beta                 91.253(2)
_cell_angle_gamma                90.383(2)
_cell_volume                     5539.7(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9980
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      28.19

_exptl_crystal_description       'thin-needle frag'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_F_000             2456
_exptl_transmission_factor_min   0.461
_exptl_transmission_factor_max   0.887
_exptl_crystal_size_max          0.564
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.842
_shelx_estimated_absorpt_T_min   0.297
_shelx_estimated_absorpt_T_max   0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65770
_diffrn_reflns_av_unetI/netI     0.0642
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.584
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             20977
_reflns_number_gt                16228
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0351P)²+11.7761P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         20977
_refine_ls_number_parameters     1501
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0464
_refine_ls_wR_factor_ref         0.1063
_refine_ls_wR_factor_gt          0.0972
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_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_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 0.94610(2) 0.80905(2) 0.65882(2) 0.03338(7) Uani 1 1 d . . . . .
B1A B 0.9605(3) 0.8055(3) 0.8322(3) 0.0275(12) Uani 1 1 d . . . . .
C1A C 1.0308(3) 0.8451(3) 0.7889(3) 0.0285(11) Uani 1 1 d . . . . .
C2A C 1.0526(4) 0.9207(3) 0.7980(3) 0.0447(15) Uani 1 1 d . . . . .
H2A H 1.0197 0.9536 0.8248 0.054 Uiso 1 1 calc R U . . .
C3A C 1.1202(4) 0.9488(4) 0.7695(4) 0.0565(17) Uani 1 1 d . . . . .
H3A H 1.1328 1.0008 0.7745 0.068 Uiso 1 1 calc R U . . .
C4A C 1.1692(4) 0.9008(4) 0.7337(4) 0.0578(19) Uani 1 1 d . . . . .
H4A H 1.2167 0.9197 0.7148 0.069 Uiso 1 1 calc R U . . .
C5A C 1.1510(3) 0.8249(3) 0.7246(4) 0.0466(15) Uani 1 1 d . . . . .
H5A H 1.1867 0.7923 0.7007 0.056 Uiso 1 1 calc R U . . .
C6A C 1.0805(3) 0.7956(3) 0.7504(3) 0.0327(12) Uani 1 1 d . . . . .
B2A B 1.0576(4) 0.7074(3) 0.7547(3) 0.0303(13) Uani 1 1 d . . . . .
C7A C 0.9656(3) 0.6868(3) 0.7502(3) 0.0273(11) Uani 1 1 d . . . . .
C8A C 0.9338(3) 0.6188(3) 0.7232(3) 0.0414(14) Uani 1 1 d . . . . .
H8A H 0.9661 0.5854 0.6963 0.050 Uiso 1 1 calc R U . . .
C9A C 0.8567(4) 0.5987(3) 0.7346(4) 0.0482(16) Uani 1 1 d . . . . .
H9A H 0.8367 0.5519 0.7159 0.058 Uiso 1 1 calc R U . . .
C10A C 0.8092(3) 0.6469(3) 0.7731(4) 0.0496(16) Uani 1 1 d . . . . .
H10A H 0.7558 0.6341 0.7800 0.060 Uiso 1 1 calc R U . . .
C11A C 0.8393(3) 0.7137(3) 0.8017(3) 0.0411(13) Uani 1 1 d . . . . .
H11A H 0.8066 0.7456 0.8297 0.049 Uiso 1 1 calc R U . . .
C12A C 0.9169(3) 0.7357(3) 0.7904(3) 0.0282(11) Uani 1 1 d . . . . .
C13A C 0.8981(3) 0.8673(3) 0.8585(3) 0.0290(11) Uani 1 1 d . . . . .
C14A C 0.8496(3) 0.9053(3) 0.8076(3) 0.0393(13) Uani 1 1 d . . . . .
C15A C 0.7977(3) 0.9598(3) 0.8322(3) 0.0395(13) Uani 1 1 d . . . . .
H15A H 0.7665 0.9859 0.7974 0.047 Uiso 1 1 calc R U . . .
C16A C 0.7904(3) 0.9766(3) 0.9055(3) 0.0339(12) Uani 1 1 d . . . . .
H16A H 0.7536 1.0130 0.9214 0.041 Uiso 1 1 calc R U . . .
C17A C 0.8368(3) 0.9402(3) 0.9554(3) 0.0323(12) Uani 1 1 d . . . . .
H17A H 0.8327 0.9518 1.0062 0.039 Uiso 1 1 calc R U . . .
C18A C 0.8895(3) 0.8867(3) 0.9323(3) 0.0311(11) Uani 1 1 d . . . . .
H18A H 0.9211 0.8623 0.9680 0.037 Uiso 1 1 calc R U . . .
P1A P 0.84446(15) 0.88066(12) 0.70934(11) 0.0346(5) Uani 0.764(3) 1 d . . P A 1
C19A C 0.8372(6) 0.9738(5) 0.6655(4) 0.051(2) Uani 0.764(3) 1 d . . P A 1
H19A H 0.7882 0.9985 0.6824 0.062 Uiso 0.764(3) 1 calc R U P A 1
C20A C 0.9052(7) 1.0227(5) 0.6893(5) 0.052(3) Uani 0.764(3) 1 d . . P A 1
H20A H 0.9542 0.9963 0.6795 0.078 Uiso 0.764(3) 1 calc R U P A 1
H20B H 0.9021 1.0342 0.7419 0.078 Uiso 0.764(3) 1 calc R U P A 1
H20C H 0.9038 1.0697 0.6621 0.078 Uiso 0.764(3) 1 calc R U P A 1
C21A C 0.8310(11) 0.9630(6) 0.5832(6) 0.083(5) Uani 0.764(3) 1 d . . P A 1
H21A H 0.8194 1.0114 0.5606 0.124 Uiso 0.764(3) 1 calc R U P A 1
H21B H 0.7888 0.9270 0.5708 0.124 Uiso 0.764(3) 1 calc R U P A 1
H21C H 0.8806 0.9437 0.5649 0.124 Uiso 0.764(3) 1 calc R U P A 1
C22A C 0.7479(5) 0.8318(5) 0.6930(5) 0.047(2) Uani 0.764(3) 1 d . . P A 1
H22A H 0.7385 0.8022 0.7380 0.056 Uiso 0.764(3) 1 calc R U P A 1
C23A C 0.6771(5) 0.8842(6) 0.6848(6) 0.069(3) Uani 0.764(3) 1 d . . P A 1
H23A H 0.6833 0.9152 0.6415 0.104 Uiso 0.764(3) 1 calc R U P A 1
H23B H 0.6738 0.9169 0.7285 0.104 Uiso 0.764(3) 1 calc R U P A 1
H23C H 0.6291 0.8540 0.6793 0.104 Uiso 0.764(3) 1 calc R U P A 1
C24A C 0.7499(5) 0.7743(5) 0.6300(5) 0.062(3) Uani 0.764(3) 1 d . . P A 1
H24A H 0.6988 0.7492 0.6246 0.093 Uiso 0.764(3) 1 calc R U P A 1
H24B H 0.7902 0.7368 0.6403 0.093 Uiso 0.764(3) 1 calc R U P A 1
H24C H 0.7619 0.7999 0.5845 0.093 Uiso 0.764(3) 1 calc R U P A 1
C25A C 1.1032(3) 0.6574(3) 0.6946(3) 0.0413(14) Uani 1 1 d . . . . .
C26A C 1.0904(4) 0.6678(4) 0.6190(4) 0.0571(18) Uani 1 1 d . . . . .
C27A C 1.1252(5) 0.6188(4) 0.5688(4) 0.076(2) Uani 1 1 d . . . . .
H27A H 1.1165 0.6257 0.5178 0.091 Uiso 1 1 calc R U . . .
C28A C 1.1720(5) 0.5608(4) 0.5920(4) 0.081(3) Uani 1 1 d . . . . .
H28A H 1.1944 0.5274 0.5571 0.097 Uiso 1 1 calc R U . . .
C29A C 1.1861(4) 0.5509(4) 0.6642(4) 0.062(2) Uani 1 1 d . . . . .
H29A H 1.2193 0.5114 0.6798 0.075 Uiso 1 1 calc R U . . .
C30A C 1.1524(3) 0.5983(3) 0.7155(4) 0.0430(14) Uani 1 1 d . . . . .
H30A H 1.1628 0.5905 0.7661 0.052 Uiso 1 1 calc R U . . .
P2A P 1.03337(15) 0.74884(11) 0.58246(10) 0.0438(6) Uani 0.764(3) 1 d . . P A 1
C31A C 1.1069(6) 0.8154(5) 0.5470(5) 0.057(3) Uani 0.764(3) 1 d . . P A 1
H31A H 1.1529 0.8142 0.5818 0.069 Uiso 0.764(3) 1 calc R U P A 1
C32A C 1.0778(7) 0.8964(5) 0.5478(5) 0.077(3) Uani 0.764(3) 1 d . . P A 1
H32A H 1.1202 0.9302 0.5339 0.115 Uiso 0.764(3) 1 calc R U P A 1
H32B H 1.0606 0.9101 0.5971 0.115 Uiso 0.764(3) 1 calc R U P A 1
H32C H 1.0337 0.9008 0.5129 0.115 Uiso 0.764(3) 1 calc R U P A 1
C33A C 1.1379(8) 0.7937(5) 0.4710(5) 0.081(4) Uani 0.764(3) 1 d . . P A 1
H33A H 1.0945 0.7934 0.4349 0.121 Uiso 0.764(3) 1 calc R U P A 1
H33B H 1.1612 0.7435 0.4726 0.121 Uiso 0.764(3) 1 calc R U P A 1
H33C H 1.1776 0.8304 0.4569 0.121 Uiso 0.764(3) 1 calc R U P A 1
C34A C 0.9797(7) 0.7061(5) 0.5022(5) 0.064(3) Uani 0.764(3) 1 d . . P A 1
H34A H 1.0187 0.6876 0.4661 0.077 Uiso 0.764(3) 1 calc R U P A 1
C35A C 0.9292(9) 0.6410(7) 0.5237(6) 0.079(4) Uani 0.764(3) 1 d . . P A 1
H35A H 0.8974 0.6561 0.5655 0.118 Uiso 0.764(3) 1 calc R U P A 1
H35B H 0.9625 0.5986 0.5374 0.118 Uiso 0.764(3) 1 calc R U P A 1
H35C H 0.8948 0.6259 0.4823 0.118 Uiso 0.764(3) 1 calc R U P A 1
C36A C 0.9265(10) 0.7659(7) 0.4646(6) 0.091(5) Uani 0.764(3) 1 d . . P A 1
H36A H 0.9037 0.7445 0.4190 0.136 Uiso 0.764(3) 1 calc R U P A 1
H36B H 0.9579 0.8105 0.4536 0.136 Uiso 0.764(3) 1 calc R U P A 1
H36C H 0.8844 0.7804 0.4976 0.136 Uiso 0.764(3) 1 calc R U P A 1
P1F P 0.8855(4) 0.9117(4) 0.7048(3) 0.0272(14) Uani 0.236(3) 1 d . . P A 2
C19F C 0.9480(15) 1.0022(16) 0.6865(17) 0.038(7) Uani 0.236(3) 1 d . . P A 2
H19F H 0.9842 1.0081 0.7299 0.046 Uiso 0.236(3) 1 calc R U P A 2
C20F C 0.8981(15) 1.0692(17) 0.6879(15) 0.040(4) Uani 0.236(3) 1 d . . P A 2
H20D H 0.9303 1.1142 0.6805 0.061 Uiso 0.236(3) 1 calc R U P A 2
H20E H 0.8728 1.0733 0.7354 0.061 Uiso 0.236(3) 1 calc R U P A 2
H20F H 0.8581 1.0648 0.6488 0.061 Uiso 0.236(3) 1 calc R U P A 2
C21F C 0.9976(14) 0.9930(14) 0.6251(13) 0.040(4) Uani 0.236(3) 1 d . . P A 2
H21D H 0.9661 0.9768 0.5820 0.061 Uiso 0.236(3) 1 calc R U P A 2
H21E H 1.0372 0.9549 0.6358 0.061 Uiso 0.236(3) 1 calc R U P A 2
H21F H 1.0235 1.0410 0.6152 0.061 Uiso 0.236(3) 1 calc R U P A 2
C22F C 0.7923(16) 0.9261(15) 0.6603(14) 0.046(7) Uani 0.236(3) 1 d . . P A 2
H22F H 0.7718 0.9758 0.6776 0.055 Uiso 0.236(3) 1 calc R U P A 2
C23F C 0.806(4) 0.931(2) 0.573(3) 0.083(5) Uani 0.236(3) 1 d . . P A 2
H23D H 0.8407 0.8904 0.5575 0.124 Uiso 0.236(3) 1 calc R U P A 2
H23E H 0.8289 0.9796 0.5618 0.124 Uiso 0.236(3) 1 calc R U P A 2
H23F H 0.7551 0.9251 0.5468 0.124 Uiso 0.236(3) 1 calc R U P A 2
C24F C 0.736(2) 0.8666(16) 0.6820(19) 0.047(2) Uani 0.236(3) 1 d . . P A 2
H24D H 0.6837 0.8786 0.6633 0.070 Uiso 0.236(3) 1 calc R U P A 2
H24E H 0.7357 0.8640 0.7355 0.070 Uiso 0.236(3) 1 calc R U P A 2
H24F H 0.7525 0.8179 0.6614 0.070 Uiso 0.236(3) 1 calc R U P A 2
P2F P 0.9931(5) 0.7106(4) 0.5811(3) 0.0438(6) Uani 0.236(3) 1 d . . P A 2
C31F C 1.027(2) 0.7470(16) 0.4952(15) 0.057(3) Uani 0.236(3) 1 d . . P A 2
H31F H 1.0383 0.7031 0.4622 0.069 Uiso 0.236(3) 1 calc R U P A 2
C32F C 0.9654(15) 0.7948(16) 0.4570(18) 0.035(7) Uani 0.236(3) 1 d . . P A 2
H32D H 0.9457 0.8326 0.4916 0.053 Uiso 0.236(3) 1 calc R U P A 2
H32E H 0.9220 0.7625 0.4391 0.053 Uiso 0.236(3) 1 calc R U P A 2
H32F H 0.9890 0.8200 0.4155 0.053 Uiso 0.236(3) 1 calc R U P A 2
C33F C 1.106(3) 0.791(2) 0.511(2) 0.081(4) Uani 0.236(3) 1 d . . P A 2
H33D H 1.1253 0.8115 0.4655 0.121 Uiso 0.236(3) 1 calc R U P A 2
H33E H 1.1446 0.7573 0.5324 0.121 Uiso 0.236(3) 1 calc R U P A 2
H33F H 1.0964 0.8330 0.5460 0.121 Uiso 0.236(3) 1 calc R U P A 2
C34F C 0.913(3) 0.645(2) 0.552(2) 0.064(3) Uani 0.236(3) 1 d . . P A 2
H34F H 0.9171 0.6038 0.5880 0.077 Uiso 0.236(3) 1 calc R U P A 2
C35F C 0.8321(17) 0.6777(14) 0.5656(14) 0.052(7) Uani 0.236(3) 1 d . . P A 2
H35D H 0.8198 0.7154 0.5287 0.078 Uiso 0.236(3) 1 calc R U P A 2
H35E H 0.8318 0.7015 0.6145 0.078 Uiso 0.236(3) 1 calc R U P A 2
H35F H 0.7927 0.6373 0.5627 0.078 Uiso 0.236(3) 1 calc R U P A 2
C36F C 0.913(3) 0.605(2) 0.4830(17) 0.091(5) Uani 0.236(3) 1 d . . P A 2
H36D H 0.8707 0.5681 0.4809 0.136 Uiso 0.236(3) 1 calc R U P A 2
H36E H 0.9636 0.5793 0.4778 0.136 Uiso 0.236(3) 1 calc R U P A 2
H36F H 0.9065 0.6408 0.4431 0.136 Uiso 0.236(3) 1 calc R U P A 2
C1 C 1.0518(3) 0.7125(3) 0.8963(3) 0.0293(11) Uani 1 1 d . . . . .
O1 O 1.00166(19) 0.76855(18) 0.89872(18) 0.0289(8) Uani 1 1 d . . . . .
O2 O 1.0816(2) 0.68588(18) 0.83416(19) 0.0310(8) Uani 1 1 d . . . . .
O3 O 1.0746(2) 0.6849(2) 0.9546(2) 0.0384(9) Uani 1 1 d . . . . .
C1S C 0.9994(17) 0.6833(14) 1.2760(9) 0.052(7) Uani 0.44(3) 1 d G . P B 1
H1S H 0.9673 0.7163 1.2483 0.062 Uiso 0.44(3) 1 calc R U P B 1
C2S C 0.9662(10) 0.6217(15) 1.3097(12) 0.061(7) Uani 0.44(3) 1 d G . P B 1
H2S H 0.9114 0.6126 1.3051 0.073 Uiso 0.44(3) 1 calc R U P B 1
C3S C 1.0131(15) 0.5734(12) 1.3502(15) 0.057(6) Uani 0.44(3) 1 d G . P B 1
H3S H 0.9904 0.5313 1.3732 0.068 Uiso 0.44(3) 1 calc R U P B 1
C4S C 1.0932(14) 0.5868(17) 1.357(2) 0.067(3) Uani 0.44(3) 1 d G . P B 1
H4S H 1.1253 0.5538 1.3846 0.080 Uiso 0.44(3) 1 calc R U P B 1
C5S C 1.1264(11) 0.648(2) 1.323(2) 0.074(3) Uani 0.44(3) 1 d G . P B 1
H5S H 1.1811 0.6575 1.3278 0.089 Uiso 0.44(3) 1 calc R U P B 1
C6S C 1.0795(18) 0.6966(14) 1.2827(17) 0.076(5) Uani 0.44(3) 1 d G . P B 1
H6S H 1.1022 0.7388 1.2597 0.091 Uiso 0.44(3) 1 calc R U P B 1
K1A K 1.03156(6) 0.67390(6) 1.08943(6) 0.0308(2) Uani 1 1 d . . . . .
C1T C 1.0355(16) 0.7112(12) 1.2728(7) 0.068(7) Uani 0.56(3) 1 d G . P B 2
H1T H 1.0197 0.7546 1.2470 0.081 Uiso 0.56(3) 1 calc R U P B 2
C2T C 0.9813(10) 0.6549(15) 1.2869(12) 0.070(8) Uani 0.56(3) 1 d G . P B 2
H2T H 0.9284 0.6599 1.2706 0.084 Uiso 0.56(3) 1 calc R U P B 2
C3T C 1.0043(10) 0.5913(13) 1.3246(15) 0.081(7) Uani 0.56(3) 1 d G . P B 2
H3T H 0.9673 0.5529 1.3342 0.098 Uiso 0.56(3) 1 calc R U P B 2
C4T C 1.0817(13) 0.5840(12) 1.3484(17) 0.067(3) Uani 0.56(3) 1 d G . P B 2
H4T H 1.0975 0.5406 1.3743 0.080 Uiso 0.56(3) 1 calc R U P B 2
C5T C 1.1360(9) 0.6403(15) 1.3344(18) 0.074(3) Uani 0.56(3) 1 d G . P B 2
H5T H 1.1889 0.6353 1.3507 0.089 Uiso 0.56(3) 1 calc R U P B 2
C6T C 1.1129(14) 0.7039(12) 1.2966(13) 0.076(5) Uani 0.56(3) 1 d G . P B 2
H6T H 1.1500 0.7423 1.2871 0.091 Uiso 0.56(3) 1 calc R U P B 2
O1C O 0.9342(2) 0.55075(18) 1.0990(2) 0.0333(8) Uani 1 1 d . . . . .
C1C C 0.9682(3) 0.4841(3) 1.1297(3) 0.0391(13) Uani 1 1 d . . . . .
H1C1 H 0.9355 0.4396 1.1161 0.047 Uiso 1 1 calc R U . . .
H1C2 H 0.9704 0.4891 1.1838 0.047 Uiso 1 1 calc R U . . .
C2C C 1.0486(3) 0.4738(3) 1.1015(3) 0.0422(14) Uani 1 1 d . . . . .
H2C1 H 1.0707 0.4261 1.1195 0.051 Uiso 1 1 calc R U . . .
H2C2 H 1.0468 0.4715 1.0473 0.051 Uiso 1 1 calc R U . . .
O2C O 1.0965(2) 0.53564(19) 1.1264(2) 0.0358(9) Uani 1 1 d . . . . .
C3C C 1.1753(3) 0.5293(3) 1.1028(4) 0.0481(16) Uani 1 1 d . . . . .
H3C1 H 1.1765 0.5290 1.0487 0.058 Uiso 1 1 calc R U . . .
H3C2 H 1.1980 0.4815 1.1201 0.058 Uiso 1 1 calc R U . . .
C4C C 1.2218(3) 0.5938(4) 1.1330(3) 0.0465(15) Uani 1 1 d . . . . .
H4C1 H 1.2187 0.5958 1.1871 0.056 Uiso 1 1 calc R U . . .
H4C2 H 1.2775 0.5883 1.1199 0.056 Uiso 1 1 calc R U . . .
O3C O 1.1910(2) 0.6605(2) 1.1031(2) 0.0407(9) Uani 1 1 d . . . . .
C5C C 1.2354(4) 0.7247(4) 1.1242(4) 0.0534(16) Uani 1 1 d . . . . .
H5C1 H 1.2898 0.7194 1.1074 0.064 Uiso 1 1 calc R U . . .
H5C2 H 1.2367 0.7306 1.1783 0.064 Uiso 1 1 calc R U . . .
C6C C 1.1977(4) 0.7922(4) 1.0901(4) 0.0583(18) Uani 1 1 d . . . . .
H6C1 H 1.2316 0.8371 1.0986 0.070 Uiso 1 1 calc R U . . .
H6C2 H 1.1912 0.7836 1.0366 0.070 Uiso 1 1 calc R U . . .
O4C O 1.1226(2) 0.8049(2) 1.1219(3) 0.0544(11) Uani 1 1 d . . . . .
C7C C 1.0814(4) 0.8632(4) 1.0841(6) 0.084(3) Uani 1 1 d . . . . .
H7C1 H 1.0723 0.8480 1.0321 0.101 Uiso 1 1 calc R U . . .
H7C2 H 1.1130 0.9101 1.0857 0.101 Uiso 1 1 calc R U . . .
C8C C 1.0049(4) 0.8763(3) 1.1201(5) 0.074(2) Uani 1 1 d . . . . .
H8C1 H 1.0132 0.8839 1.1735 0.089 Uiso 1 1 calc R U . . .
H8C2 H 0.9796 0.9217 1.1002 0.089 Uiso 1 1 calc R U . . .
O5C O 0.9574(2) 0.81257(19) 1.1059(2) 0.0394(9) Uani 1 1 d . . . . .
C9C C 0.8798(4) 0.8210(3) 1.1303(4) 0.0486(16) Uani 1 1 d . . . . .
H9C1 H 0.8591 0.8707 1.1161 0.058 Uiso 1 1 calc R U . . .
H9C2 H 0.8787 0.8177 1.1843 0.058 Uiso 1 1 calc R U . . .
C10C C 0.8316(3) 0.7598(3) 1.0957(4) 0.0487(16) Uani 1 1 d . . . . .
H10B H 0.7761 0.7661 1.1088 0.058 Uiso 1 1 calc R U . . .
H10C H 0.8352 0.7615 1.0417 0.058 Uiso 1 1 calc R U . . .
O6C O 0.8600(2) 0.6895(2) 1.1213(2) 0.0398(9) Uani 1 1 d . . . . .
C11C C 0.8222(3) 0.6274(3) 1.0855(4) 0.0487(16) Uani 1 1 d . . . . .
H11B H 0.8316 0.6284 1.0322 0.058 Uiso 1 1 calc R U . . .
H11C H 0.7650 0.6296 1.0930 0.058 Uiso 1 1 calc R U . . .
C12C C 0.8546(3) 0.5565(3) 1.1170(4) 0.0451(15) Uani 1 1 d . . . . .
H12A H 0.8494 0.5576 1.1709 0.054 Uiso 1 1 calc R U . . .
H12B H 0.8251 0.5124 1.0968 0.054 Uiso 1 1 calc R U . . .
Au2 Au 0.46738(2) 0.20444(2) 0.64105(2) 0.03531(7) Uani 1 1 d . . . . .
C1B C 0.4221(6) 0.2854(4) 0.7703(7) 0.0248(10) Uani 0.491(3) 1 d DG . P C 1
C2B C 0.3418(5) 0.2921(5) 0.7787(6) 0.030(2) Uani 0.491(3) 1 d G . P C 1
H2B H 0.3133 0.2534 0.8018 0.036 Uiso 0.491(3) 1 calc R U P C 1
C3B C 0.3031(3) 0.3553(5) 0.7532(5) 0.034(2) Uani 0.491(3) 1 d G . P C 1
H3B H 0.2482 0.3599 0.7589 0.041 Uiso 0.491(3) 1 calc R U P C 1
C4B C 0.3448(4) 0.4119(4) 0.7193(4) 0.0333(19) Uani 0.491(3) 1 d G . P C 1
H4B H 0.3183 0.4551 0.7019 0.040 Uiso 0.491(3) 1 calc R U P C 1
C5B C 0.4251(4) 0.4052(4) 0.7109(4) 0.0264(18) Uani 0.491(3) 1 d G . P C 1
H5B H 0.4536 0.4438 0.6878 0.032 Uiso 0.491(3) 1 calc R U P C 1
C6B C 0.4638(4) 0.3419(5) 0.7364(5) 0.0248(10) Uani 0.491(3) 1 d DG . P C 1
B1B B 0.4667(10) 0.2205(5) 0.8175(7) 0.0275(16) Uani 0.491(3) 1 d D . P C 1
C7B C 0.5882(5) 0.2339(4) 0.7460(6) 0.027(2) Uani 0.491(3) 1 d DG . P C 1
C8B C 0.6619(5) 0.2063(4) 0.7298(4) 0.0248(18) Uani 0.491(3) 1 d G . P C 1
H8B H 0.6979 0.2366 0.7045 0.030 Uiso 0.491(3) 1 calc R U P C 1
C9B C 0.6828(3) 0.1342(4) 0.7507(5) 0.027(2) Uani 0.491(3) 1 d G . P C 1
H9B H 0.7331 0.1153 0.7397 0.033 Uiso 0.491(3) 1 calc R U P C 1
C10B C 0.6300(4) 0.0898(3) 0.7878(5) 0.030(2) Uani 0.491(3) 1 d G . P C 1
H10D H 0.6443 0.0405 0.8021 0.036 Uiso 0.491(3) 1 calc R U P C 1
C11B C 0.5563(4) 0.1174(5) 0.8040(5) 0.0248(18) Uani 0.491(3) 1 d G . P C 1
H11D H 0.5203 0.0871 0.8293 0.030 Uiso 0.491(3) 1 calc R U P C 1
C12B C 0.5354(4) 0.1895(5) 0.7831(7) 0.030(2) Uani 0.491(3) 1 d G . P C 1
B2B B 0.5587(5) 0.3224(5) 0.7375(4) 0.0273(13) Uani 0.491(3) 1 d D U P C 1
C13B C 0.3912(7) 0.1636(11) 0.8356(5) 0.028(2) Uani 0.491(3) 1 d DG . P C 1
C14B C 0.3557(10) 0.1166(13) 0.7828(4) 0.025(3) Uani 0.491(3) 1 d DG . P C 1
C15B C 0.3027(9) 0.0617(12) 0.8034(5) 0.028(2) Uani 0.491(3) 1 d G . P C 1
H15B H 0.2784 0.0296 0.7673 0.034 Uiso 0.491(3) 1 calc R U P C 1
C16B C 0.2852(11) 0.0537(12) 0.8768(6) 0.023(3) Uani 0.491(3) 1 d G . P C 1
H16B H 0.2490 0.0162 0.8909 0.027 Uiso 0.491(3) 1 calc R U P C 1
C17B C 0.3207(12) 0.1007(14) 0.9296(4) 0.026(3) Uani 0.491(3) 1 d G . P C 1
H17B H 0.3088 0.0953 0.9798 0.031 Uiso 0.491(3) 1 calc R U P C 1
C18B C 0.3737(8) 0.1557(11) 0.9090(5) 0.023(3) Uani 0.491(3) 1 d G . P C 1
H18B H 0.3980 0.1878 0.9451 0.027 Uiso 0.491(3) 1 calc R U P C 1
P3 P 0.3701(2) 0.1265(2) 0.6830(2) 0.0272(9) Uani 0.491(3) 1 d D . P C 1
C19B C 0.3798(7) 0.0271(6) 0.6500(6) 0.035(3) Uani 0.491(3) 1 d . . P C 1
H19E H 0.3306 -0.0004 0.6621 0.042 Uiso 0.491(3) 1 calc R U P C 1
C20B C 0.3876(8) 0.0242(7) 0.5661(6) 0.045(3) Uani 0.491(3) 1 d . . P C 1
H20J H 0.4358 0.0503 0.5527 0.068 Uiso 0.491(3) 1 calc R U P C 1
H20K H 0.3425 0.0490 0.5432 0.068 Uiso 0.491(3) 1 calc R U P C 1
H20L H 0.3895 -0.0284 0.5491 0.068 Uiso 0.491(3) 1 calc R U P C 1
C21B C 0.4458(11) -0.0100(10) 0.6888(10) 0.045(3) Uani 0.491(3) 1 d . . P C 1
H21J H 0.4534 -0.0605 0.6677 0.067 Uiso 0.491(3) 1 calc R U P C 1
H21K H 0.4341 -0.0138 0.7409 0.067 Uiso 0.491(3) 1 calc R U P C 1
H21L H 0.4937 0.0200 0.6835 0.067 Uiso 0.491(3) 1 calc R U P C 1
C22B C 0.2747(9) 0.1644(10) 0.6492(10) 0.029(4) Uani 0.491(3) 1 d . . P C 1
H22E H 0.2558 0.1998 0.6881 0.035 Uiso 0.491(3) 1 calc R U P C 1
C23B C 0.2097(7) 0.1015(8) 0.6376(7) 0.048(3) Uani 0.491(3) 1 d . . P C 1
H23J H 0.1590 0.1252 0.6279 0.072 Uiso 0.491(3) 1 calc R U P C 1
H23K H 0.2067 0.0714 0.6819 0.072 Uiso 0.491(3) 1 calc R U P C 1
H23L H 0.2231 0.0688 0.5959 0.072 Uiso 0.491(3) 1 calc R U P C 1
C24B C 0.2822(7) 0.2092(7) 0.5808(7) 0.049(3) Uani 0.491(3) 1 d . . P C 1
H24J H 0.2997 0.1762 0.5408 0.074 Uiso 0.491(3) 1 calc R U P C 1
H24K H 0.3205 0.2499 0.5895 0.074 Uiso 0.491(3) 1 calc R U P C 1
H24L H 0.2313 0.2307 0.5675 0.074 Uiso 0.491(3) 1 calc R U P C 1
C25B C 0.5946(7) 0.3828(7) 0.6762(4) 0.029(3) Uani 0.491(3) 1 d DG . P C 1
C26B C 0.5820(5) 0.3706(4) 0.6014(5) 0.030(3) Uani 0.491(3) 1 d G . P C 1
C27B C 0.6178(6) 0.4171(5) 0.5516(4) 0.042(3) Uani 0.491(3) 1 d G . P C 1
H27B H 0.6092 0.4088 0.5005 0.050 Uiso 0.491(3) 1 calc R U P C 1
C28B C 0.6662(6) 0.4758(4) 0.5765(6) 0.050(4) Uani 0.491(3) 1 d G . P C 1
H28B H 0.6907 0.5076 0.5425 0.060 Uiso 0.491(3) 1 calc R U P C 1
C29B C 0.6788(7) 0.4880(7) 0.6513(6) 0.044(3) Uani 0.491(3) 1 d G . P C 1
H29B H 0.7119 0.5281 0.6683 0.052 Uiso 0.491(3) 1 calc R U P C 1
C30B C 0.6430(8) 0.4415(9) 0.7011(4) 0.0338(19) Uani 0.491(3) 1 d G . P C 1
H30B H 0.6516 0.4498 0.7522 0.041 Uiso 0.491(3) 1 calc R U P C 1
P4 P 0.50850(17) 0.30256(15) 0.56622(14) 0.0309(7) Uani 0.491(3) 1 d . . P C 1
C31B C 0.4265(9) 0.3639(7) 0.5309(8) 0.046(3) Uani 0.491(3) 1 d . . P C 1
H31B H 0.4259 0.4093 0.5641 0.056 Uiso 0.491(3) 1 calc R U P C 1
C32B C 0.3471(7) 0.3266(7) 0.5371(7) 0.049(3) Uani 0.491(3) 1 d . . P C 1
H32G H 0.3062 0.3614 0.5210 0.074 Uiso 0.491(3) 1 calc R U P C 1
H32H H 0.3387 0.3132 0.5881 0.074 Uiso 0.491(3) 1 calc R U P C 1
H32I H 0.3449 0.2809 0.5061 0.074 Uiso 0.491(3) 1 calc R U P C 1
C33B C 0.4404(9) 0.3934(8) 0.4528(7) 0.062(4) Uani 0.491(3) 1 d . . P C 1
H33G H 0.4405 0.3510 0.4178 0.093 Uiso 0.491(3) 1 calc R U P C 1
H33H H 0.4910 0.4197 0.4521 0.093 Uiso 0.491(3) 1 calc R U P C 1
H33I H 0.3985 0.4283 0.4393 0.093 Uiso 0.491(3) 1 calc R U P C 1
C34B C 0.5532(8) 0.2591(8) 0.4836(7) 0.038(2) Uani 0.491(3) 1 d . . P C 1
H34B H 0.5666 0.3012 0.4505 0.046 Uiso 0.491(3) 1 calc R U P C 1
C35B C 0.6302(7) 0.2212(8) 0.5050(7) 0.045(3) Uani 0.491(3) 1 d . . P C 1
H35G H 0.6492 0.1919 0.4631 0.068 Uiso 0.491(3) 1 calc R U P C 1
H35H H 0.6215 0.1877 0.5461 0.068 Uiso 0.491(3) 1 calc R U P C 1
H35I H 0.6691 0.2598 0.5196 0.068 Uiso 0.491(3) 1 calc R U P C 1
C36B C 0.4744(14) 0.2158(16) 0.4467(15) 0.048(3) Uani 0.491(3) 1 d . . P C 1
H36G H 0.4902 0.1689 0.4223 0.071 Uiso 0.491(3) 1 calc R U P C 1
H36H H 0.4492 0.2487 0.4109 0.071 Uiso 0.491(3) 1 calc R U P C 1
H36I H 0.4374 0.2043 0.4854 0.071 Uiso 0.491(3) 1 calc R U P C 1
C1E C 0.4154(5) 0.2938(5) 0.7609(6) 0.0248(10) Uani 0.509(3) 1 d DG . P C 2
C2E C 0.3360(5) 0.3105(5) 0.7588(5) 0.030(2) Uani 0.509(3) 1 d G . P C 2
H2E H 0.3006 0.2825 0.7871 0.036 Uiso 0.509(3) 1 calc R U P C 2
C3E C 0.3085(3) 0.3684(5) 0.7152(5) 0.034(2) Uani 0.509(3) 1 d G . P C 2
H3E H 0.2543 0.3798 0.7137 0.041 Uiso 0.509(3) 1 calc R U P C 2
C4E C 0.3603(4) 0.4094(4) 0.6737(4) 0.0333(19) Uani 0.509(3) 1 d G . P C 2
H4E H 0.3415 0.4489 0.6439 0.040 Uiso 0.509(3) 1 calc R U P C 2
C5E C 0.4397(3) 0.3926(4) 0.6758(4) 0.0264(18) Uani 0.509(3) 1 d G . P C 2
H5E H 0.4751 0.4207 0.6475 0.032 Uiso 0.509(3) 1 calc R U P C 2
C6E C 0.4672(4) 0.3348(5) 0.7194(5) 0.0248(10) Uani 0.509(3) 1 d DG . P C 2
B1E B 0.4643(10) 0.2335(5) 0.8102(6) 0.0275(16) Uani 0.509(3) 1 d D . P C 2
C7E C 0.5884(5) 0.2440(4) 0.7307(5) 0.0213(19) Uani 0.509(3) 1 d DG . P C 2
C8E C 0.6578(5) 0.2239(4) 0.6973(4) 0.030(2) Uani 0.509(3) 1 d G . P C 2
H8E H 0.6841 0.2590 0.6677 0.036 Uiso 0.509(3) 1 calc R U P C 2
C9E C 0.6887(4) 0.1526(4) 0.7073(4) 0.035(3) Uani 0.509(3) 1 d G . P C 2
H9E H 0.7361 0.1388 0.6845 0.042 Uiso 0.509(3) 1 calc R U P C 2
C10E C 0.6502(5) 0.1013(3) 0.7507(5) 0.039(3) Uani 0.509(3) 1 d G . P C 2
H10E H 0.6713 0.0525 0.7575 0.047 Uiso 0.509(3) 1 calc R U P C 2
C11E C 0.5808(5) 0.1214(4) 0.7840(4) 0.030(2) Uani 0.509(3) 1 d G . P C 2
H11E H 0.5545 0.0863 0.8137 0.036 Uiso 0.509(3) 1 calc R U P C 2
C12E C 0.5499(4) 0.1927(5) 0.7740(5) 0.0213(19) Uani 0.509(3) 1 d G . P C 2
B2E B 0.5602(5) 0.3305(5) 0.7368(4) 0.0273(13) Uani 0.509(3) 1 d D U P C 2
C13E C 0.4150(6) 0.1594(10) 0.8416(5) 0.022(3) Uani 0.509(3) 1 d DG . P C 2
C14E C 0.3777(9) 0.1121(12) 0.7901(4) 0.025(3) Uani 0.509(3) 1 d DG . P C 2
C15E C 0.3209(9) 0.0613(11) 0.8120(5) 0.028(2) Uani 0.509(3) 1 d G . P C 2
H15E H 0.2954 0.0290 0.7768 0.034 Uiso 0.509(3) 1 calc R U P C 2
C16E C 0.3014(10) 0.0579(12) 0.8853(6) 0.026(3) Uani 0.509(3) 1 d G . P C 2
H16E H 0.2626 0.0232 0.9003 0.031 Uiso 0.509(3) 1 calc R U P C 2
C17E C 0.3387(11) 0.1052(14) 0.9368(4) 0.026(3) Uani 0.509(3) 1 d G . P C 2
H17E H 0.3254 0.1029 0.9870 0.031 Uiso 0.509(3) 1 calc R U P C 2
C18E C 0.3955(8) 0.1560(11) 0.9150(4) 0.026(3) Uani 0.509(3) 1 d G . P C 2
H18E H 0.4210 0.1883 0.9502 0.031 Uiso 0.509(3) 1 calc R U P C 2
P3E P 0.4001(2) 0.1073(2) 0.6911(2) 0.0283(8) Uani 0.509(3) 1 d D . P C 2
C19E C 0.4595(9) 0.0185(8) 0.6792(8) 0.042(4) Uani 0.509(3) 1 d . . P C 2
H19B H 0.4964 0.0180 0.7224 0.050 Uiso 0.509(3) 1 calc R U P C 2
C20E C 0.4119(8) -0.0548(7) 0.6833(7) 0.051(3) Uani 0.509(3) 1 d . . P C 2
H20G H 0.3734 -0.0574 0.6427 0.077 Uiso 0.509(3) 1 calc R U P C 2
H20H H 0.3847 -0.0559 0.7300 0.077 Uiso 0.509(3) 1 calc R U P C 2
H20I H 0.4472 -0.0980 0.6798 0.077 Uiso 0.509(3) 1 calc R U P C 2
C21E C 0.5099(7) 0.0208(6) 0.6145(6) 0.045(3) Uani 0.509(3) 1 d . . P C 2
H21G H 0.5443 -0.0231 0.6141 0.067 Uiso 0.509(3) 1 calc R U P C 2
H21H H 0.5417 0.0670 0.6166 0.067 Uiso 0.509(3) 1 calc R U P C 2
H21I H 0.4771 0.0202 0.5698 0.067 Uiso 0.509(3) 1 calc R U P C 2
C22E C 0.3037(7) 0.0887(7) 0.6457(6) 0.046(3) Uani 0.509(3) 1 d . . P C 2
H22B H 0.2825 0.0401 0.6640 0.055 Uiso 0.509(3) 1 calc R U P C 2
C23E C 0.3139(9) 0.0808(8) 0.5625(7) 0.060(4) Uani 0.509(3) 1 d . . P C 2
H23G H 0.2631 0.0695 0.5387 0.090 Uiso 0.509(3) 1 calc R U P C 2
H23H H 0.3504 0.0399 0.5520 0.090 Uiso 0.509(3) 1 calc R U P C 2
H23I H 0.3348 0.1280 0.5438 0.090 Uiso 0.509(3) 1 calc R U P C 2
C24E C 0.2467(10) 0.1500(10) 0.6629(12) 0.047(5) Uani 0.509(3) 1 d . . P C 2
H24G H 0.2722 0.1991 0.6577 0.071 Uiso 0.509(3) 1 calc R U P C 2
H24H H 0.2291 0.1450 0.7133 0.071 Uiso 0.509(3) 1 calc R U P C 2
H24I H 0.2015 0.1459 0.6291 0.071 Uiso 0.509(3) 1 calc R U P C 2
C25E C 0.6171(6) 0.3692(6) 0.6765(4) 0.029(3) Uani 0.509(3) 1 d DG . P C 2
C26E C 0.6177(4) 0.3430(4) 0.6043(5) 0.028(2) Uani 0.509(3) 1 d G . P C 2
C27E C 0.6568(5) 0.3836(4) 0.5519(4) 0.042(2) Uani 0.509(3) 1 d G . P C 2
H27E H 0.6572 0.3657 0.5025 0.050 Uiso 0.509(3) 1 calc R U P C 2
C28E C 0.6954(5) 0.4503(4) 0.5716(5) 0.042(2) Uani 0.509(3) 1 d G . P C 2
H28E H 0.7221 0.4781 0.5358 0.050 Uiso 0.509(3) 1 calc R U P C 2
C29E C 0.6948(7) 0.4765(6) 0.6438(6) 0.044(3) Uani 0.509(3) 1 d G . P C 2
H29E H 0.7212 0.5222 0.6573 0.052 Uiso 0.509(3) 1 calc R U P C 2
C30E C 0.6557(8) 0.4360(8) 0.6963(4) 0.0338(19) Uani 0.509(3) 1 d G . P C 2
H30E H 0.6553 0.4539 0.7456 0.041 Uiso 0.509(3) 1 calc R U P C 2
P4E P 0.56532(16) 0.25662(15) 0.56712(14) 0.0303(7) Uani 0.509(3) 1 d . . P C 2
C31E C 0.5180(7) 0.2830(7) 0.4797(6) 0.037(3) Uani 0.509(3) 1 d . . P C 2
H31E H 0.5608 0.3030 0.4490 0.044 Uiso 0.509(3) 1 calc R U P C 2
C32E C 0.4617(8) 0.3491(8) 0.4918(8) 0.052(3) Uani 0.509(3) 1 d . . P C 2
H32J H 0.4336 0.3596 0.4458 0.078 Uiso 0.509(3) 1 calc R U P C 2
H32K H 0.4915 0.3938 0.5081 0.078 Uiso 0.509(3) 1 calc R U P C 2
H32L H 0.4239 0.3359 0.5292 0.078 Uiso 0.509(3) 1 calc R U P C 2
C33E C 0.4957(11) 0.2026(13) 0.4455(14) 0.046(5) Uani 0.509(3) 1 d . . P C 2
H33J H 0.4501 0.2072 0.4125 0.070 Uiso 0.509(3) 1 calc R U P C 2
H33K H 0.4833 0.1681 0.4849 0.070 Uiso 0.509(3) 1 calc R U P C 2
H33L H 0.5400 0.1829 0.4181 0.070 Uiso 0.509(3) 1 calc R U P C 2
C34E C 0.6468(7) 0.1908(7) 0.5440(7) 0.038(2) Uani 0.509(3) 1 d . . P C 2
H34E H 0.6895 0.2009 0.5814 0.046 Uiso 0.509(3) 1 calc R U P C 2
C35E C 0.6235(7) 0.1084(6) 0.5515(7) 0.047(3) Uani 0.509(3) 1 d . . P C 2
H35J H 0.5818 0.0956 0.5157 0.071 Uiso 0.509(3) 1 calc R U P C 2
H35K H 0.6048 0.1001 0.6011 0.071 Uiso 0.509(3) 1 calc R U P C 2
H35L H 0.6691 0.0765 0.5426 0.071 Uiso 0.509(3) 1 calc R U P C 2
C36E C 0.6833(7) 0.2041(7) 0.4680(6) 0.048(3) Uani 0.509(3) 1 d . . P C 2
H36J H 0.7270 0.1695 0.4610 0.071 Uiso 0.509(3) 1 calc R U P C 2
H36K H 0.7023 0.2561 0.4658 0.071 Uiso 0.509(3) 1 calc R U P C 2
H36L H 0.6434 0.1950 0.4294 0.071 Uiso 0.509(3) 1 calc R U P C 2
C2 C 0.5537(3) 0.3274(3) 0.8789(3) 0.0306(12) Uani 1 1 d . . . . .
O4 O 0.4995(2) 0.27321(18) 0.88151(19) 0.0374(9) Uani 1 1 d D . . . .
O5 O 0.57924(19) 0.35497(17) 0.81665(17) 0.0253(7) Uani 1 1 d D . . . .
O6 O 0.5812(2) 0.35370(19) 0.93685(18) 0.0367(9) Uani 1 1 d . . . . .
C7S C 0.5544(7) 0.2402(8) 1.2488(6) 0.081(6) Uani 0.67(2) 1 d G . P D 1
H7S H 0.5374 0.1948 1.2249 0.097 Uiso 0.67(2) 1 calc R U P D 1
C8S C 0.6287(6) 0.2448(8) 1.2812(7) 0.077(5) Uani 0.67(2) 1 d G . P D 1
H8S H 0.6625 0.2026 1.2794 0.092 Uiso 0.67(2) 1 calc R U P D 1
C9S C 0.6536(7) 0.3113(8) 1.3162(8) 0.064(5) Uani 0.67(2) 1 d G . P D 1
H9S H 0.7044 0.3144 1.3383 0.077 Uiso 0.67(2) 1 calc R U P D 1
C10S C 0.6042(9) 0.3731(7) 1.3188(9) 0.074(3) Uani 0.67(2) 1 d G . P D 1
H10S H 0.6212 0.4185 1.3427 0.088 Uiso 0.67(2) 1 calc R U P D 1
C11S C 0.5299(8) 0.3684(8) 1.2864(8) 0.081(5) Uani 0.67(2) 1 d G . P D 1
H11S H 0.4961 0.4107 1.2882 0.098 Uiso 0.67(2) 1 calc R U P D 1
C12S C 0.5050(6) 0.3020(9) 1.2514(6) 0.079(5) Uani 0.67(2) 1 d G . P D 1
H12S H 0.4542 0.2988 1.2293 0.095 Uiso 0.67(2) 1 calc R U P D 1
K1B K 0.53548(6) 0.28919(5) 1.05770(6) 0.0284(2) Uani 1 1 d . . . . .
C7T C 0.5133(17) 0.2752(13) 1.2425(11) 0.079(5) Uani 0.33(2) 1 d G . P D 2
H7T H 0.4835 0.2388 1.2148 0.095 Uiso 0.33(2) 1 calc R U P D 2
C8T C 0.5929(17) 0.2643(12) 1.2553(12) 0.061(9) Uani 0.33(2) 1 d G . P D 2
H8T H 0.6175 0.2204 1.2364 0.073 Uiso 0.33(2) 1 calc R U P D 2
C9T C 0.6365(15) 0.3175(15) 1.2956(15) 0.059(8) Uani 0.33(2) 1 d G . P D 2
H9T H 0.6909 0.3101 1.3044 0.071 Uiso 0.33(2) 1 calc R U P D 2
C10T C 0.6005(19) 0.3817(14) 1.3232(18) 0.074(3) Uani 0.33(2) 1 d G . P D 2
H10T H 0.6303 0.4181 1.3508 0.088 Uiso 0.33(2) 1 calc R U P D 2
C11T C 0.5209(19) 0.3927(12) 1.3104(17) 0.081(5) Uani 0.33(2) 1 d G . P D 2
H11T H 0.4963 0.4365 1.3293 0.098 Uiso 0.33(2) 1 calc R U P D 2
C12T C 0.4773(15) 0.3394(14) 1.2700(13) 0.073(10) Uani 0.33(2) 1 d G . P D 2
H12T H 0.4229 0.3469 1.2613 0.088 Uiso 0.33(2) 1 calc R U P D 2
O1D O 0.5577(2) 0.12838(18) 1.0914(2) 0.0346(8) Uani 1 1 d . . . . .
C1D C 0.6229(3) 0.1084(3) 1.0488(4) 0.0422(14) Uani 1 1 d . . . . .
H1D1 H 0.6136 0.1227 0.9972 0.051 Uiso 1 1 calc R U . . .
H1D2 H 0.6313 0.0534 1.0501 0.051 Uiso 1 1 calc R U . . .
C2D C 0.6930(3) 0.1494(3) 1.0801(4) 0.0458(15) Uani 1 1 d . . . . .
H2D1 H 0.6986 0.1395 1.1331 0.055 Uiso 1 1 calc R U . . .
H2D2 H 0.7408 0.1316 1.0557 0.055 Uiso 1 1 calc R U . . .
O2D O 0.6832(2) 0.22779(18) 1.0690(2) 0.0368(9) Uani 1 1 d . . . . .
C3D C 0.7423(3) 0.2727(3) 1.1047(3) 0.0416(14) Uani 1 1 d . . . . .
H3D1 H 0.7947 0.2548 1.0906 0.050 Uiso 1 1 calc R U . . .
H3D2 H 0.7381 0.2690 1.1585 0.050 Uiso 1 1 calc R U . . .
C4D C 0.7319(3) 0.3526(3) 1.0825(3) 0.0386(13) Uani 1 1 d . . . . .
H4D1 H 0.7767 0.3836 1.1011 0.046 Uiso 1 1 calc R U . . .
H4D2 H 0.7298 0.3555 1.0284 0.046 Uiso 1 1 calc R U . . .
O3D O 0.6604(2) 0.38031(19) 1.1123(2) 0.0348(8) Uani 1 1 d . . . . .
C5D C 0.6462(3) 0.4558(3) 1.0915(3) 0.0409(14) Uani 1 1 d . . . . .
H5D1 H 0.6446 0.4589 1.0374 0.049 Uiso 1 1 calc R U . . .
H5D2 H 0.6889 0.4890 1.1108 0.049 Uiso 1 1 calc R U . . .
C6D C 0.5695(3) 0.4813(3) 1.1216(3) 0.0424(14) Uani 1 1 d . . . . .
H6D1 H 0.5694 0.4748 1.1753 0.051 Uiso 1 1 calc R U . . .
H6D2 H 0.5614 0.5353 1.1114 0.051 Uiso 1 1 calc R U . . .
O4D O 0.5091(2) 0.43760(18) 1.0878(2) 0.0361(9) Uani 1 1 d . . . . .
C7D C 0.4332(3) 0.4634(3) 1.1069(3) 0.0414(14) Uani 1 1 d . . . . .
H7D1 H 0.4257 0.5159 1.0911 0.050 Uiso 1 1 calc R U . . .
H7D2 H 0.4270 0.4619 1.1607 0.050 Uiso 1 1 calc R U . . .
C8D C 0.3749(3) 0.4127(3) 1.0693(3) 0.0414(14) Uani 1 1 d . . . . .
H8D1 H 0.3215 0.4327 1.0757 0.050 Uiso 1 1 calc R U . . .
H8D2 H 0.3853 0.4097 1.0162 0.050 Uiso 1 1 calc R U . . .
O5D O 0.3805(2) 0.33943(18) 1.10014(19) 0.0313(8) Uani 1 1 d . . . . .
C9D C 0.3241(3) 0.2880(3) 1.0708(3) 0.0380(13) Uani 1 1 d . . . . .
H9D1 H 0.3311 0.2812 1.0174 0.046 Uiso 1 1 calc R U . . .
H9D2 H 0.2708 0.3073 1.0790 0.046 Uiso 1 1 calc R U . . .
C10D C 0.3347(3) 0.2143(3) 1.1084(3) 0.0362(13) Uani 1 1 d . . . . .
H10F H 0.3342 0.2220 1.1622 0.043 Uiso 1 1 calc R U . . .
H10G H 0.2917 0.1791 1.0939 0.043 Uiso 1 1 calc R U . . .
O6D O 0.40767(19) 0.18423(18) 1.08700(19) 0.0312(8) Uani 1 1 d . . . . .
C11D C 0.4236(3) 0.1123(3) 1.1163(4) 0.0404(14) Uani 1 1 d . . . . .
H11F H 0.3775 0.0787 1.1092 0.048 Uiso 1 1 calc R U . . .
H11G H 0.4358 0.1171 1.1694 0.048 Uiso 1 1 calc R U . . .
C12D C 0.4922(3) 0.0803(3) 1.0770(4) 0.0420(14) Uani 1 1 d . . . . .
H12C H 0.5035 0.0290 1.0945 0.050 Uiso 1 1 calc R U . . .
H12D H 0.4806 0.0771 1.0237 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 P1F 2.259(5) . ?
Au1 P2A 2.316(2) . ?
Au1 P1A 2.353(2) . ?
Au1 P2F 2.384(6) . ?
B1A O1 1.550(6) . ?
B1A C13A 1.609(7) . ?
B1A C12A 1.611(8) . ?
B1A C1A 1.618(8) . ?
C1A C2A 1.396(7) . ?
C1A C6A 1.414(7) . ?
C2A C3A 1.372(9) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.366(10) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.388(9) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.404(8) . ?
C5A H5A 0.9500 . ?
C6A B2A 1.617(8) . ?
B2A O2 1.555(6) . ?
B2A C7A 1.611(8) . ?
B2A C25A 1.615(8) . ?
C7A C8A 1.398(7) . ?
C7A C12A 1.413(7) . ?
C8A C9A 1.384(8) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.379(9) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.379(8) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.399(7) . ?
C11A H11A 0.9500 . ?
C13A C18A 1.396(7) . ?
C13A C14A 1.417(7) . ?
C14A C15A 1.390(7) . ?
C14A P1A 1.840(6) . ?
C14A P1F 1.993(8) . ?
C15A C16A 1.375(8) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.370(7) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.379(7) . ?
C17A H17A 0.9500 . ?
C18A H18A 0.9500 . ?
P1A C19A 1.856(8) . ?
P1A C22A 1.874(9) . ?
C19A C20A 1.497(14) . ?
C19A C21A 1.514(14) . ?
C19A H19A 1.0000 . ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C20A H20C 0.9800 . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C22A C24A 1.525(12) . ?
C22A C23A 1.538(12) . ?
C22A H22A 1.0000 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A C30A 1.403(7) . ?
C25A C26A 1.409(8) . ?
C26A C27A 1.396(9) . ?
C26A P2A 1.870(6) . ?
C26A P2F 1.952(10) . ?
C27A C28A 1.378(10) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.350(10) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.384(8) . ?
C29A H29A 0.9500 . ?
C30A H30A 0.9500 . ?
P2A C31A 1.855(9) . ?
P2A C34A 1.858(9) . ?
C31A C32A 1.526(12) . ?
C31A C33A 1.540(11) . ?
C31A H31A 1.0000 . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C34A C35A 1.501(18) . ?
C34A C36A 1.563(16) . ?
C34A H34A 1.0000 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C36A H36A 0.9800 . ?
C36A H36B 0.9800 . ?
C36A H36C 0.9800 . ?
P1F C22F 1.79(3) . ?
P1F C19F 1.96(3) . ?
C19F C21F 1.43(4) . ?
C19F C20F 1.47(3) . ?
C19F H19F 1.0000 . ?
C20F H20D 0.9800 . ?
C20F H20E 0.9800 . ?
C20F H20F 0.9800 . ?
C21F H21D 0.9800 . ?
C21F H21E 0.9800 . ?
C21F H21F 0.9800 . ?
C22F C24F 1.49(4) . ?
C22F C23F 1.62(6) . ?
C22F H22F 1.0000 . ?
C23F H23D 0.9800 . ?
C23F H23E 0.9800 . ?
C23F H23F 0.9800 . ?
C24F H24D 0.9800 . ?
C24F H24E 0.9800 . ?
C24F H24F 0.9800 . ?
P2F C31F 1.81(3) . ?
P2F C34F 1.86(6) . ?
C31F C32F 1.52(4) . ?
C31F C33F 1.58(5) . ?
C31F H31F 1.0000 . ?
C32F H32D 0.9800 . ?
C32F H32E 0.9800 . ?
C32F H32F 0.9800 . ?
C33F H33D 0.9800 . ?
C33F H33E 0.9800 . ?
C33F H33F 0.9800 . ?
C34F C36F 1.43(4) . ?
C34F C35F 1.53(6) . ?
C34F H34F 1.0000 . ?
C35F H35D 0.9800 . ?
C35F H35E 0.9800 . ?
C35F H35F 0.9800 . ?
C36F H36D 0.9800 . ?
C36F H36E 0.9800 . ?
C36F H36F 0.9800 . ?
C1 O3 1.238(6) . ?
C1 O1 1.317(6) . ?
C1 O2 1.334(6) . ?
O3 K1A 2.595(4) . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C1S K1A 3.464(18) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.3900 . ?
C2S H2S 0.9500 . ?
C3S C4S 1.3900 . ?
C3S H3S 0.9500 . ?
C4S C5S 1.3900 . ?
C4S H4S 0.9500 . ?
C5S C6S 1.3900 . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
K1A O3C 2.742(4) . ?
K1A O1C 2.749(4) . ?
K1A O2C 2.790(3) . ?
K1A O5C 2.791(3) . ?
K1A O4C 2.835(4) . ?
K1A O6C 3.015(4) . ?
K1A C1T 3.401(13) . ?
C1T C2T 1.3900 . ?
C1T C6T 1.3900 . ?
C1T H1T 0.9500 . ?
C2T C3T 1.3900 . ?
C2T H2T 0.9500 . ?
C3T C4T 1.3900 . ?
C3T H3T 0.9500 . ?
C4T C5T 1.3900 . ?
C4T H4T 0.9500 . ?
C5T C6T 1.3900 . ?
C5T H5T 0.9500 . ?
C6T H6T 0.9500 . ?
O1C C12C 1.410(6) . ?
O1C C1C 1.440(6) . ?
C1C C2C 1.488(8) . ?
C1C H1C1 0.9900 . ?
C1C H1C2 0.9900 . ?
C2C O2C 1.425(7) . ?
C2C H2C1 0.9900 . ?
C2C H2C2 0.9900 . ?
O2C C3C 1.427(6) . ?
C3C C4C 1.481(9) . ?
C3C H3C1 0.9900 . ?
C3C H3C2 0.9900 . ?
C4C O3C 1.415(6) . ?
C4C H4C1 0.9900 . ?
C4C H4C2 0.9900 . ?
O3C C5C 1.408(7) . ?
C5C C6C 1.504(9) . ?
C5C H5C1 0.9900 . ?
C5C H5C2 0.9900 . ?
C6C O4C 1.437(8) . ?
C6C H6C1 0.9900 . ?
C6C H6C2 0.9900 . ?
O4C C7C 1.436(8) . ?
C7C C8C 1.494(11) . ?
C7C H7C1 0.9900 . ?
C7C H7C2 0.9900 . ?
C8C O5C 1.405(7) . ?
C8C H8C1 0.9900 . ?
C8C H8C2 0.9900 . ?
O5C C9C 1.416(7) . ?
C9C C10C 1.483(9) . ?
C9C H9C1 0.9900 . ?
C9C H9C2 0.9900 . ?
C10C O6C 1.426(6) . ?
C10C H10B 0.9900 . ?
C10C H10C 0.9900 . ?
O6C C11C 1.416(7) . ?
C11C C12C 1.498(8) . ?
C11C H11B 0.9900 . ?
C11C H11C 0.9900 . ?
C12C H12A 0.9900 . ?
C12C H12B 0.9900 . ?
Au2 P3E 2.283(4) . ?
Au2 P3 2.310(4) . ?
Au2 P4 2.349(3) . ?
Au2 P4E 2.368(3) . ?
Au2 C7E 2.690(9) . ?
Au2 C6E 2.698(8) . ?
C1B C2B 1.3900 . ?
C1B C6B 1.3900 . ?
C1B B1B 1.635(9) . ?
C2B C3B 1.3900 . ?
C2B H2B 0.9500 . ?
C3B C4B 1.3900 . ?
C3B H3B 0.9500 . ?
C4B C5B 1.3900 . ?
C4B H4B 0.9500 . ?
C5B C6B 1.3900 . ?
C5B H5B 0.9500 . ?
C6B B2B 1.661(7) . ?
B1B C12B 1.450(19) . ?
B1B O4 1.574(9) . ?
B1B C13B 1.675(9) . ?
C7B C8B 1.3900 . ?
C7B C12B 1.3900 . ?
C7B B2B 1.661(7) . ?
C8B C9B 1.3900 . ?
C8B H8B 0.9500 . ?
C9B C10B 1.3900 . ?
C9B H9B 0.9500 . ?
C10B C11B 1.3900 . ?
C10B H10D 0.9500 . ?
C11B C12B 1.3900 . ?
C11B H11D 0.9500 . ?
B2B O5 1.577(8) . ?
B2B C25B 1.689(8) . ?
C13B C14B 1.3900 . ?
C13B C18B 1.3900 . ?
C14B C15B 1.3900 . ?
C14B P3 1.856(6) . ?
C15B C16B 1.3900 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.3900 . ?
C16B H16B 0.9500 . ?
C17B C18B 1.3900 . ?
C17B H17B 0.9500 . ?
C18B H18B 0.9500 . ?
P3 C19B 1.863(11) . ?
P3 C22B 1.865(19) . ?
C19B C21B 1.48(2) . ?
C19B C20B 1.541(15) . ?
C19B H19E 1.0000 . ?
C20B H20J 0.9800 . ?
C20B H20K 0.9800 . ?
C20B H20L 0.9800 . ?
C21B H21J 0.9800 . ?
C21B H21K 0.9800 . ?
C21B H21L 0.9800 . ?
C22B C24B 1.50(2) . ?
C22B C23B 1.578(16) . ?
C22B H22E 1.0000 . ?
C23B H23J 0.9800 . ?
C23B H23K 0.9800 . ?
C23B H23L 0.9800 . ?
C24B H24J 0.9800 . ?
C24B H24K 0.9800 . ?
C24B H24L 0.9800 . ?
C25B C26B 1.3900 . ?
C25B C30B 1.3900 . ?
C26B C27B 1.3900 . ?
C26B P4 1.834(8) . ?
C27B C28B 1.3900 . ?
C27B H27B 0.9500 . ?
C28B C29B 1.3900 . ?
C28B H28B 0.9500 . ?
C29B C30B 1.3900 . ?
C29B H29B 0.9500 . ?
C30B H30B 0.9500 . ?
P4 C34B 1.862(13) . ?
P4 C31B 1.890(12) . ?
C31B C32B 1.513(19) . ?
C31B C33B 1.552(18) . ?
C31B H31B 1.0000 . ?
C32B H32G 0.9800 . ?
C32B H32H 0.9800 . ?
C32B H32I 0.9800 . ?
C33B H33G 0.9800 . ?
C33B H33H 0.9800 . ?
C33B H33I 0.9800 . ?
C34B C35B 1.528(18) . ?
C34B C36B 1.67(3) . ?
C34B H34B 1.0000 . ?
C35B H35G 0.9800 . ?
C35B H35H 0.9800 . ?
C35B H35I 0.9800 . ?
C36B H36G 0.9800 . ?
C36B H36H 0.9800 . ?
C36B H36I 0.9800 . ?
C1E C2E 1.3900 . ?
C1E C6E 1.3900 . ?
C1E B1E 1.636(8) . ?
C2E C3E 1.3900 . ?
C2E H2E 0.9500 . ?
C3E C4E 1.3900 . ?
C3E H3E 0.9500 . ?
C4E C5E 1.3900 . ?
C4E H4E 0.9500 . ?
C5E C6E 1.3900 . ?
C5E H5E 0.9500 . ?
C6E B2E 1.617(7) . ?
B1E O4 1.574(8) . ?
B1E C13E 1.675(9) . ?
B1E C12E 1.771(19) . ?
C7E C8E 1.3900 . ?
C7E C12E 1.3900 . ?
C7E B2E 1.616(7) . ?
C8E C9E 1.3900 . ?
C8E H8E 0.9500 . ?
C9E C10E 1.3900 . ?
C9E H9E 0.9500 . ?
C10E C11E 1.3900 . ?
C10E H10E 0.9500 . ?
C11E C12E 1.3900 . ?
C11E H11E 0.9500 . ?
B2E O5 1.540(8) . ?
B2E C25E 1.643(8) . ?
C13E C14E 1.3900 . ?
C13E C18E 1.3900 . ?
C14E C15E 1.3900 . ?
C14E P3E 1.857(6) . ?
C15E C16E 1.3900 . ?
C15E H15E 0.9500 . ?
C16E C17E 1.3900 . ?
C16E H16E 0.9500 . ?
C17E C18E 1.3900 . ?
C17E H17E 0.9500 . ?
C18E H18E 0.9500 . ?
P3E C22E 1.852(12) . ?
P3E C19E 1.894(16) . ?
C19E C21E 1.478(18) . ?
C19E C20E 1.535(16) . ?
C19E H19B 1.0000 . ?
C20E H20G 0.9800 . ?
C20E H20H 0.9800 . ?
C20E H20I 0.9800 . ?
C21E H21G 0.9800 . ?
C21E H21H 0.9800 . ?
C21E H21I 0.9800 . ?
C22E C24E 1.50(2) . ?
C22E C23E 1.538(17) . ?
C22E H22B 1.0000 . ?
C23E H23G 0.9800 . ?
C23E H23H 0.9800 . ?
C23E H23I 0.9800 . ?
C24E H24G 0.9800 . ?
C24E H24H 0.9800 . ?
C24E H24I 0.9800 . ?
C25E C26E 1.3900 . ?
C25E C30E 1.3900 . ?
C26E C27E 1.3900 . ?
C26E P4E 1.879(8) . ?
C27E C28E 1.3900 . ?
C27E H27E 0.9500 . ?
C28E C29E 1.3900 . ?
C28E H28E 0.9500 . ?
C29E C30E 1.3900 . ?
C29E H29E 0.9500 . ?
C30E H30E 0.9500 . ?
P4E C31E 1.844(12) . ?
P4E C34E 1.874(11) . ?
C31E C32E 1.538(18) . ?
C31E C33E 1.59(3) . ?
C31E H31E 1.0000 . ?
C32E H32J 0.9800 . ?
C32E H32K 0.9800 . ?
C32E H32L 0.9800 . ?
C33E H33J 0.9800 . ?
C33E H33K 0.9800 . ?
C33E H33L 0.9800 . ?
C34E C35E 1.524(17) . ?
C34E C36E 1.555(16) . ?
C34E H34E 1.0000 . ?
C35E H35J 0.9800 . ?
C35E H35K 0.9800 . ?
C35E H35L 0.9800 . ?
C36E H36J 0.9800 . ?
C36E H36K 0.9800 . ?
C36E H36L 0.9800 . ?
C2 O6 1.231(6) . ?
C2 O5 1.328(6) . ?
C2 O4 1.334(6) . ?
O4 K1B 3.269(4) . ?
O6 K1B 2.638(4) . ?
C7S C8S 1.3900 . ?
C7S C12S 1.3900 . ?
C7S K1B 3.622(13) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.3900 . ?
C8S H8S 0.9500 . ?
C9S C10S 1.3900 . ?
C9S H9S 0.9500 . ?
C10S C11S 1.3900 . ?
C10S H10S 0.9500 . ?
C11S C12S 1.3900 . ?
C11S H11S 0.9500 . ?
C12S H12S 0.9500 . ?
K1B O4D 2.725(3) . ?
K1B O2D 2.761(4) . ?
K1B O3D 2.822(4) . ?
K1B O5D 2.915(4) . ?
K1B O6D 2.927(3) . ?
K1B O1D 2.959(3) . ?
K1B C7T 3.42(2) . ?
C7T C8T 1.3900 . ?
C7T C12T 1.3900 . ?
C7T H7T 0.9500 . ?
C8T C9T 1.3900 . ?
C8T H8T 0.9500 . ?
C9T C10T 1.3900 . ?
C9T H9T 0.9500 . ?
C10T C11T 1.3900 . ?
C10T H10T 0.9500 . ?
C11T C12T 1.3900 . ?
C11T H11T 0.9500 . ?
C12T H12T 0.9500 . ?
O1D C1D 1.416(6) . ?
O1D C12D 1.420(6) . ?
C1D C2D 1.495(8) . ?
C1D H1D1 0.9900 . ?
C1D H1D2 0.9900 . ?
C2D O2D 1.422(6) . ?
C2D H2D1 0.9900 . ?
C2D H2D2 0.9900 . ?
O2D C3D 1.422(6) . ?
C3D C4D 1.493(7) . ?
C3D H3D1 0.9900 . ?
C3D H3D2 0.9900 . ?
C4D O3D 1.435(6) . ?
C4D H4D1 0.9900 . ?
C4D H4D2 0.9900 . ?
O3D C5D 1.422(6) . ?
C5D C6D 1.501(8) . ?
C5D H5D1 0.9900 . ?
C5D H5D2 0.9900 . ?
C6D O4D 1.411(7) . ?
C6D H6D1 0.9900 . ?
C6D H6D2 0.9900 . ?
O4D C7D 1.426(6) . ?
C7D C8D 1.486(8) . ?
C7D H7D1 0.9900 . ?
C7D H7D2 0.9900 . ?
C8D O5D 1.431(6) . ?
C8D H8D1 0.9900 . ?
C8D H8D2 0.9900 . ?
O5D C9D 1.413(6) . ?
C9D C10D 1.500(7) . ?
C9D H9D1 0.9900 . ?
C9D H9D2 0.9900 . ?
C10D O6D 1.419(6) . ?
C10D H10F 0.9900 . ?
C10D H10G 0.9900 . ?
O6D C11D 1.421(6) . ?
C11D C12D 1.497(8) . ?
C11D H11F 0.9900 . ?
C11D H11G 0.9900 . ?
C12D H12C 0.9900 . ?
C12D H12D 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
P2A Au1 P1A 166.04(7) . . ?
P1F Au1 P2F 164.8(2) . . ?
O1 B1A C13A 111.0(4) . . ?
O1 B1A C12A 103.5(4) . . ?
C13A B1A C12A 110.8(4) . . ?
O1 B1A C1A 104.4(4) . . ?
C13A B1A C1A 110.5(4) . . ?
C12A B1A C1A 116.3(4) . . ?
C2A C1A C6A 119.1(5) . . ?
C2A C1A B1A 124.2(5) . . ?
C6A C1A B1A 115.6(4) . . ?
C3A C2A C1A 122.0(6) . . ?
C3A C2A H2A 119.0 . . ?
C1A C2A H2A 119.0 . . ?
C4A C3A C2A 119.0(6) . . ?
C4A C3A H3A 120.5 . . ?
C2A C3A H3A 120.5 . . ?
C3A C4A C5A 121.2(6) . . ?
C3A C4A H4A 119.4 . . ?
C5A C4A H4A 119.4 . . ?
C4A C5A C6A 120.7(6) . . ?
C4A C5A H5A 119.6 . . ?
C6A C5A H5A 119.6 . . ?
C5A C6A C1A 117.8(5) . . ?
C5A C6A B2A 125.9(5) . . ?
C1A C6A B2A 115.1(4) . . ?
O2 B2A C7A 103.0(4) . . ?
O2 B2A C25A 111.7(4) . . ?
C7A B2A C25A 109.4(4) . . ?
O2 B2A C6A 104.1(4) . . ?
C7A B2A C6A 116.5(4) . . ?
C25A B2A C6A 111.6(5) . . ?
C8A C7A C12A 118.3(5) . . ?
C8A C7A B2A 125.1(5) . . ?
C12A C7A B2A 115.2(4) . . ?
C9A C8A C7A 121.9(5) . . ?
C9A C8A H8A 119.1 . . ?
C7A C8A H8A 119.1 . . ?
C10A C9A C8A 119.6(5) . . ?
C10A C9A H9A 120.2 . . ?
C8A C9A H9A 120.2 . . ?
C11A C10A C9A 119.8(6) . . ?
C11A C10A H10A 120.1 . . ?
C9A C10A H10A 120.1 . . ?
C10A C11A C12A 121.8(6) . . ?
C10A C11A H11A 119.1 . . ?
C12A C11A H11A 119.1 . . ?
C11A C12A C7A 118.6(5) . . ?
C11A C12A B1A 124.7(5) . . ?
C7A C12A B1A 115.7(4) . . ?
C18A C13A C14A 116.5(4) . . ?
C18A C13A B1A 122.0(4) . . ?
C14A C13A B1A 121.5(4) . . ?
C15A C14A C13A 120.0(5) . . ?
C15A C14A P1A 116.7(4) . . ?
C13A C14A P1A 123.1(4) . . ?
C15A C14A P1F 117.7(4) . . ?
C13A C14A P1F 117.8(4) . . ?
C16A C15A C14A 121.6(5) . . ?
C16A C15A H15A 119.2 . . ?
C14A C15A H15A 119.2 . . ?
C17A C16A C15A 119.1(5) . . ?
C17A C16A H16A 120.4 . . ?
C15A C16A H16A 120.4 . . ?
C16A C17A C18A 120.3(5) . . ?
C16A C17A H17A 119.8 . . ?
C18A C17A H17A 119.8 . . ?
C17A C18A C13A 122.4(5) . . ?
C17A C18A H18A 118.8 . . ?
C13A C18A H18A 118.8 . . ?
C14A P1A C19A 103.0(3) . . ?
C14A P1A C22A 106.1(4) . . ?
C19A P1A C22A 106.9(4) . . ?
C14A P1A Au1 118.71(19) . . ?
C19A P1A Au1 111.0(3) . . ?
C22A P1A Au1 110.4(3) . . ?
C20A C19A C21A 112.7(10) . . ?
C20A C19A P1A 110.1(6) . . ?
C21A C19A P1A 109.6(6) . . ?
C20A C19A H19A 108.1 . . ?
C21A C19A H19A 108.1 . . ?
P1A C19A H19A 108.1 . . ?
C19A C20A H20A 109.5 . . ?
C19A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
C19A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
C19A C21A H21A 109.5 . . ?
C19A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C19A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C24A C22A C23A 111.0(7) . . ?
C24A C22A P1A 112.5(7) . . ?
C23A C22A P1A 115.1(6) . . ?
C24A C22A H22A 105.8 . . ?
C23A C22A H22A 105.8 . . ?
P1A C22A H22A 105.8 . . ?
C22A C23A H23A 109.5 . . ?
C22A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C22A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C22A C24A H24A 109.5 . . ?
C22A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C22A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C30A C25A C26A 117.4(5) . . ?
C30A C25A B2A 121.3(5) . . ?
C26A C25A B2A 121.1(5) . . ?
C27A C26A C25A 119.5(6) . . ?
C27A C26A P2A 118.0(5) . . ?
C25A C26A P2A 122.4(4) . . ?
C27A C26A P2F 112.7(6) . . ?
C25A C26A P2F 121.4(5) . . ?
C28A C27A C26A 121.0(7) . . ?
C28A C27A H27A 119.5 . . ?
C26A C27A H27A 119.5 . . ?
C29A C28A C27A 120.3(6) . . ?
C29A C28A H28A 119.8 . . ?
C27A C28A H28A 119.8 . . ?
C28A C29A C30A 120.2(6) . . ?
C28A C29A H29A 119.9 . . ?
C30A C29A H29A 119.9 . . ?
C29A C30A C25A 121.6(6) . . ?
C29A C30A H30A 119.2 . . ?
C25A C30A H30A 119.2 . . ?
C31A P2A C34A 107.5(5) . . ?
C31A P2A C26A 105.8(4) . . ?
C34A P2A C26A 102.8(4) . . ?
C31A P2A Au1 111.7(3) . . ?
C34A P2A Au1 109.8(4) . . ?
C26A P2A Au1 118.5(2) . . ?
C32A C31A C33A 110.4(7) . . ?
C32A C31A P2A 112.2(7) . . ?
C33A C31A P2A 114.4(7) . . ?
C32A C31A H31A 106.4 . . ?
C33A C31A H31A 106.4 . . ?
P2A C31A H31A 106.4 . . ?
C31A C32A H32A 109.5 . . ?
C31A C32A H32B 109.5 . . ?
H32A C32A H32B 109.5 . . ?
C31A C32A H32C 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
C31A C33A H33A 109.5 . . ?
C31A C33A H33B 109.5 . . ?
H33A C33A H33B 109.5 . . ?
C31A C33A H33C 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
C35A C34A C36A 108.5(11) . . ?
C35A C34A P2A 111.7(6) . . ?
C36A C34A P2A 110.4(7) . . ?
C35A C34A H34A 108.7 . . ?
C36A C34A H34A 108.7 . . ?
P2A C34A H34A 108.7 . . ?
C34A C35A H35A 109.5 . . ?
C34A C35A H35B 109.5 . . ?
H35A C35A H35B 109.5 . . ?
C34A C35A H35C 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C34A C36A H36A 109.5 . . ?
C34A C36A H36B 109.5 . . ?
H36A C36A H36B 109.5 . . ?
C34A C36A H36C 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C22F P1F C19F 105.9(13) . . ?
C22F P1F C14A 98.7(9) . . ?
C19F P1F C14A 113.6(10) . . ?
C22F P1F Au1 111.6(8) . . ?
C19F P1F Au1 109.7(8) . . ?
C14A P1F Au1 116.4(3) . . ?
C21F C19F C20F 117(2) . . ?
C21F C19F P1F 112.7(19) . . ?
C20F C19F P1F 110.2(17) . . ?
C21F C19F H19F 105.3 . . ?
C20F C19F H19F 105.3 . . ?
P1F C19F H19F 105.3 . . ?
C19F C20F H20D 109.5 . . ?
C19F C20F H20E 109.5 . . ?
H20D C20F H20E 109.5 . . ?
C19F C20F H20F 109.5 . . ?
H20D C20F H20F 109.5 . . ?
H20E C20F H20F 109.5 . . ?
C19F C21F H21D 109.5 . . ?
C19F C21F H21E 109.5 . . ?
H21D C21F H21E 109.5 . . ?
C19F C21F H21F 109.5 . . ?
H21D C21F H21F 109.5 . . ?
H21E C21F H21F 109.5 . . ?
C24F C22F C23F 115(3) . . ?
C24F C22F P1F 110(2) . . ?
C23F C22F P1F 108(3) . . ?
C24F C22F H22F 108.0 . . ?
C23F C22F H22F 108.0 . . ?
P1F C22F H22F 108.0 . . ?
C22F C23F H23D 109.5 . . ?
C22F C23F H23E 109.5 . . ?
H23D C23F H23E 109.5 . . ?
C22F C23F H23F 109.5 . . ?
H23D C23F H23F 109.5 . . ?
H23E C23F H23F 109.5 . . ?
C22F C24F H24D 109.5 . . ?
C22F C24F H24E 109.5 . . ?
H24D C24F H24E 109.5 . . ?
C22F C24F H24F 109.5 . . ?
H24D C24F H24F 109.5 . . ?
H24E C24F H24F 109.5 . . ?
C31F P2F C34F 102.9(17) . . ?
C31F P2F C26A 100.0(12) . . ?
C34F P2F C26A 118.1(15) . . ?
C31F P2F Au1 111.3(9) . . ?
C34F P2F Au1 111.3(13) . . ?
C26A P2F Au1 112.1(4) . . ?
C32F C31F C33F 113(2) . . ?
C32F C31F P2F 113(2) . . ?
C33F C31F P2F 108(2) . . ?
C32F C31F H31F 107.9 . . ?
C33F C31F H31F 107.9 . . ?
P2F C31F H31F 107.9 . . ?
C31F C32F H32D 109.5 . . ?
C31F C32F H32E 109.5 . . ?
H32D C32F H32E 109.5 . . ?
C31F C32F H32F 109.5 . . ?
H32D C32F H32F 109.5 . . ?
H32E C32F H32F 109.5 . . ?
C31F C33F H33D 109.5 . . ?
C31F C33F H33E 109.5 . . ?
H33D C33F H33E 109.5 . . ?
C31F C33F H33F 109.5 . . ?
H33D C33F H33F 109.5 . . ?
H33E C33F H33F 109.5 . . ?
C36F C34F C35F 111(4) . . ?
C36F C34F P2F 122(4) . . ?
C35F C34F P2F 112(3) . . ?
C36F C34F H34F 103.0 . . ?
C35F C34F H34F 103.0 . . ?
P2F C34F H34F 103.0 . . ?
C34F C35F H35D 109.5 . . ?
C34F C35F H35E 109.5 . . ?
H35D C35F H35E 109.5 . . ?
C34F C35F H35F 109.5 . . ?
H35D C35F H35F 109.5 . . ?
H35E C35F H35F 109.5 . . ?
C34F C36F H36D 109.5 . . ?
C34F C36F H36E 109.5 . . ?
H36D C36F H36E 109.5 . . ?
C34F C36F H36F 109.5 . . ?
H36D C36F H36F 109.5 . . ?
H36E C36F H36F 109.5 . . ?
O3 C1 O1 118.7(5) . . ?
O3 C1 O2 118.1(4) . . ?
O1 C1 O2 123.2(4) . . ?
C1 O1 B1A 126.4(4) . . ?
C1 O2 B2A 127.3(4) . . ?
C1 O3 K1A 139.8(3) . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S K1A 119.2(13) . . ?
C6S C1S K1A 85.1(15) . . ?
C2S C1S H1S 120.0 . . ?
C6S C1S H1S 120.0 . . ?
K1A C1S H1S 66.3 . . ?
C1S C2S C3S 120.0 . . ?
C1S C2S H2S 120.0 . . ?
C3S C2S H2S 120.0 . . ?
C2S C3S C4S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C1S C6S H6S 120.0 . . ?
O3 K1A O3C 78.10(12) . . ?
O3 K1A O1C 108.50(12) . . ?
O3C K1A O1C 121.32(11) . . ?
O3 K1A O2C 101.05(11) . . ?
O3C K1A O2C 60.32(11) . . ?
O1C K1A O2C 61.24(10) . . ?
O3 K1A O5C 99.17(12) . . ?
O3C K1A O5C 121.77(12) . . ?
O1C K1A O5C 114.63(11) . . ?
O2C K1A O5C 159.55(12) . . ?
O3 K1A O4C 87.59(13) . . ?
O3C K1A O4C 61.25(12) . . ?
O1C K1A O4C 163.90(13) . . ?
O2C K1A O4C 117.23(12) . . ?
O5C K1A O4C 60.52(12) . . ?
O3 K1A O6C 118.11(11) . . ?
O3C K1A O6C 163.65(12) . . ?
O1C K1A O6C 58.04(10) . . ?
O2C K1A O6C 114.86(10) . . ?
O5C K1A O6C 56.63(10) . . ?
O4C K1A O6C 114.45(12) . . ?
O3 K1A C1T 156.6(6) . . ?
O3C K1A C1T 85.9(4) . . ?
O1C K1A C1T 94.3(5) . . ?
O2C K1A C1T 85.3(2) . . ?
O5C K1A C1T 74.9(2) . . ?
O4C K1A C1T 69.7(5) . . ?
O6C K1A C1T 78.0(5) . . ?
O3 K1A C1S 169.8(6) . . ?
O3C K1A C1S 95.3(4) . . ?
O1C K1A C1S 81.5(6) . . ?
O2C K1A C1S 81.9(3) . . ?
O5C K1A C1S 77.6(3) . . ?
O4C K1A C1S 82.4(6) . . ?
O6C K1A C1S 68.4(4) . . ?
C2T C1T C6T 120.0 . . ?
C2T C1T K1A 93.2(12) . . ?
C6T C1T K1A 106.7(12) . . ?
C2T C1T H1T 120.0 . . ?
C6T C1T H1T 120.0 . . ?
K1A C1T H1T 69.9 . . ?
C3T C2T C1T 120.0 . . ?
C3T C2T H2T 120.0 . . ?
C1T C2T H2T 120.0 . . ?
C4T C3T C2T 120.0 . . ?
C4T C3T H3T 120.0 . . ?
C2T C3T H3T 120.0 . . ?
C3T C4T C5T 120.0 . . ?
C3T C4T H4T 120.0 . . ?
C5T C4T H4T 120.0 . . ?
C6T C5T C4T 120.0 . . ?
C6T C5T H5T 120.0 . . ?
C4T C5T H5T 120.0 . . ?
C5T C6T C1T 120.0 . . ?
C5T C6T H6T 120.0 . . ?
C1T C6T H6T 120.0 . . ?
C12C O1C C1C 110.8(4) . . ?
C12C O1C K1A 122.9(3) . . ?
C1C O1C K1A 116.4(3) . . ?
O1C C1C C2C 109.6(4) . . ?
O1C C1C H1C1 109.8 . . ?
C2C C1C H1C1 109.8 . . ?
O1C C1C H1C2 109.8 . . ?
C2C C1C H1C2 109.8 . . ?
H1C1 C1C H1C2 108.2 . . ?
O2C C2C C1C 108.9(4) . . ?
O2C C2C H2C1 109.9 . . ?
C1C C2C H2C1 109.9 . . ?
O2C C2C H2C2 109.9 . . ?
C1C C2C H2C2 109.9 . . ?
H2C1 C2C H2C2 108.3 . . ?
C2C O2C C3C 112.5(4) . . ?
C2C O2C K1A 112.0(3) . . ?
C3C O2C K1A 111.7(3) . . ?
O2C C3C C4C 109.3(5) . . ?
O2C C3C H3C1 109.8 . . ?
C4C C3C H3C1 109.8 . . ?
O2C C3C H3C2 109.8 . . ?
C4C C3C H3C2 109.8 . . ?
H3C1 C3C H3C2 108.3 . . ?
O3C C4C C3C 108.1(5) . . ?
O3C C4C H4C1 110.1 . . ?
C3C C4C H4C1 110.1 . . ?
O3C C4C H4C2 110.1 . . ?
C3C C4C H4C2 110.1 . . ?
H4C1 C4C H4C2 108.4 . . ?
C5C O3C C4C 112.2(4) . . ?
C5C O3C K1A 118.5(3) . . ?
C4C O3C K1A 118.5(3) . . ?
O3C C5C C6C 108.1(5) . . ?
O3C C5C H5C1 110.1 . . ?
C6C C5C H5C1 110.1 . . ?
O3C C5C H5C2 110.1 . . ?
C6C C5C H5C2 110.1 . . ?
H5C1 C5C H5C2 108.4 . . ?
O4C C6C C5C 109.6(5) . . ?
O4C C6C H6C1 109.8 . . ?
C5C C6C H6C1 109.8 . . ?
O4C C6C H6C2 109.8 . . ?
C5C C6C H6C2 109.8 . . ?
H6C1 C6C H6C2 108.2 . . ?
C7C O4C C6C 110.6(5) . . ?
C7C O4C K1A 103.6(3) . . ?
C6C O4C K1A 106.3(3) . . ?
O4C C7C C8C 108.9(7) . . ?
O4C C7C H7C1 109.9 . . ?
C8C C7C H7C1 109.9 . . ?
O4C C7C H7C2 109.9 . . ?
C8C C7C H7C2 109.9 . . ?
H7C1 C7C H7C2 108.3 . . ?
O5C C8C C7C 107.7(6) . . ?
O5C C8C H8C1 110.2 . . ?
C7C C8C H8C1 110.2 . . ?
O5C C8C H8C2 110.2 . . ?
C7C C8C H8C2 110.2 . . ?
H8C1 C8C H8C2 108.5 . . ?
C8C O5C C9C 113.5(5) . . ?
C8C O5C K1A 117.6(3) . . ?
C9C O5C K1A 123.9(3) . . ?
O5C C9C C10C 107.7(5) . . ?
O5C C9C H9C1 110.2 . . ?
C10C C9C H9C1 110.2 . . ?
O5C C9C H9C2 110.2 . . ?
C10C C9C H9C2 110.2 . . ?
H9C1 C9C H9C2 108.5 . . ?
O6C C10C C9C 108.5(5) . . ?
O6C C10C H10B 110.0 . . ?
C9C C10C H10B 110.0 . . ?
O6C C10C H10C 110.0 . . ?
C9C C10C H10C 110.0 . . ?
H10B C10C H10C 108.4 . . ?
C11C O6C C10C 112.3(4) . . ?
C11C O6C K1A 105.9(3) . . ?
C10C O6C K1A 110.2(3) . . ?
O6C C11C C12C 108.3(5) . . ?
O6C C11C H11B 110.0 . . ?
C12C C11C H11B 110.0 . . ?
O6C C11C H11C 110.0 . . ?
C12C C11C H11C 110.0 . . ?
H11B C11C H11C 108.4 . . ?
O1C C12C C11C 108.9(4) . . ?
O1C C12C H12A 109.9 . . ?
C11C C12C H12A 109.9 . . ?
O1C C12C H12B 109.9 . . ?
C11C C12C H12B 109.9 . . ?
H12A C12C H12B 108.3 . . ?
P3 Au2 P4 150.60(12) . . ?
P3E Au2 P4E 154.00(12) . . ?
P3E Au2 C7E 109.22(19) . . ?
P4E Au2 C7E 72.93(19) . . ?
P3E Au2 C6E 115.2(2) . . ?
P4E Au2 C6E 88.5(2) . . ?
C7E Au2 C6E 58.68(16) . . ?
C2B C1B C6B 120.0 . . ?
C2B C1B B1B 117.1(9) . . ?
C6B C1B B1B 121.3(9) . . ?
C3B C2B C1B 120.0 . . ?
C3B C2B H2B 120.0 . . ?
C1B C2B H2B 120.0 . . ?
C2B C3B C4B 120.0 . . ?
C2B C3B H3B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C5B C4B C3B 120.0 . . ?
C5B C4B H4B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C4B C5B C6B 120.0 . . ?
C4B C5B H5B 120.0 . . ?
C6B C5B H5B 120.0 . . ?
C5B C6B C1B 120.0 . . ?
C5B C6B B2B 129.6(6) . . ?
C1B C6B B2B 110.3(6) . . ?
C12B B1B O4 105.1(10) . . ?
C12B B1B C1B 114.4(12) . . ?
O4 B1B C1B 97.5(7) . . ?
C12B B1B C13B 119.5(9) . . ?
O4 B1B C13B 117.6(13) . . ?
C1B B1B C13B 100.6(11) . . ?
C8B C7B C12B 120.0 . . ?
C8B C7B B2B 126.3(6) . . ?
C12B C7B B2B 113.0(6) . . ?
C7B C8B C9B 120.0 . . ?
C7B C8B H8B 120.0 . . ?
C9B C8B H8B 120.0 . . ?
C10B C9B C8B 120.0 . . ?
C10B C9B H9B 120.0 . . ?
C8B C9B H9B 120.0 . . ?
C9B C10B C11B 120.0 . . ?
C9B C10B H10D 120.0 . . ?
C11B C10B H10D 120.0 . . ?
C12B C11B C10B 120.0 . . ?
C12B C11B H11D 120.0 . . ?
C10B C11B H11D 120.0 . . ?
C11B C12B C7B 120.0 . . ?
C11B C12B B1B 115.8(8) . . ?
C7B C12B B1B 122.4(8) . . ?
O5 B2B C6B 97.7(5) . . ?
O5 B2B C7B 100.6(6) . . ?
C6B B2B C7B 120.0(7) . . ?
O5 B2B C25B 107.9(6) . . ?
C6B B2B C25B 102.7(7) . . ?
C7B B2B C25B 124.2(7) . . ?
C14B C13B C18B 120.0 . . ?
C14B C13B B1B 122.8(9) . . ?
C18B C13B B1B 116.4(8) . . ?
C13B C14B C15B 120.0 . . ?
C13B C14B P3 123.4(8) . . ?
C15B C14B P3 116.5(8) . . ?
C16B C15B C14B 120.0 . . ?
C16B C15B H15B 120.0 . . ?
C14B C15B H15B 120.0 . . ?
C17B C16B C15B 120.0 . . ?
C17B C16B H16B 120.0 . . ?
C15B C16B H16B 120.0 . . ?
C16B C17B C18B 120.0 . . ?
C16B C17B H17B 120.0 . . ?
C18B C17B H17B 120.0 . . ?
C17B C18B C13B 120.0 . . ?
C17B C18B H18B 120.0 . . ?
C13B C18B H18B 120.0 . . ?
C14B P3 C19B 103.1(8) . . ?
C14B P3 C22B 103.5(8) . . ?
C19B P3 C22B 109.2(7) . . ?
C14B P3 Au2 120.3(6) . . ?
C19B P3 Au2 112.9(4) . . ?
C22B P3 Au2 107.2(5) . . ?
C21B C19B C20B 112.8(11) . . ?
C21B C19B P3 110.4(10) . . ?
C20B C19B P3 110.2(7) . . ?
C21B C19B H19E 107.8 . . ?
C20B C19B H19E 107.8 . . ?
P3 C19B H19E 107.8 . . ?
C19B C20B H20J 109.5 . . ?
C19B C20B H20K 109.5 . . ?
H20J C20B H20K 109.5 . . ?
C19B C20B H20L 109.5 . . ?
H20J C20B H20L 109.5 . . ?
H20K C20B H20L 109.5 . . ?
C19B C21B H21J 109.5 . . ?
C19B C21B H21K 109.5 . . ?
H21J C21B H21K 109.5 . . ?
C19B C21B H21L 109.5 . . ?
H21J C21B H21L 109.5 . . ?
H21K C21B H21L 109.5 . . ?
C24B C22B C23B 110.1(13) . . ?
C24B C22B P3 112.9(9) . . ?
C23B C22B P3 112.9(11) . . ?
C24B C22B H22E 106.8 . . ?
C23B C22B H22E 106.8 . . ?
P3 C22B H22E 106.8 . . ?
C22B C23B H23J 109.5 . . ?
C22B C23B H23K 109.5 . . ?
H23J C23B H23K 109.5 . . ?
C22B C23B H23L 109.5 . . ?
H23J C23B H23L 109.5 . . ?
H23K C23B H23L 109.5 . . ?
C22B C24B H24J 109.5 . . ?
C22B C24B H24K 109.5 . . ?
H24J C24B H24K 109.5 . . ?
C22B C24B H24L 109.5 . . ?
H24J C24B H24L 109.5 . . ?
H24K C24B H24L 109.5 . . ?
C26B C25B C30B 120.0 . . ?
C26B C25B B2B 120.9(7) . . ?
C30B C25B B2B 118.8(7) . . ?
C27B C26B C25B 120.0 . . ?
C27B C26B P4 118.0(5) . . ?
C25B C26B P4 121.4(5) . . ?
C28B C27B C26B 120.0 . . ?
C28B C27B H27B 120.0 . . ?
C26B C27B H27B 120.0 . . ?
C27B C28B C29B 120.0 . . ?
C27B C28B H28B 120.0 . . ?
C29B C28B H28B 120.0 . . ?
C28B C29B C30B 120.0 . . ?
C28B C29B H29B 120.0 . . ?
C30B C29B H29B 120.0 . . ?
C29B C30B C25B 120.0 . . ?
C29B C30B H30B 120.0 . . ?
C25B C30B H30B 120.0 . . ?
C26B P4 C34B 104.7(5) . . ?
C26B P4 C31B 103.6(5) . . ?
C34B P4 C31B 105.9(6) . . ?
C26B P4 Au2 119.6(3) . . ?
C34B P4 Au2 107.6(5) . . ?
C31B P4 Au2 114.3(5) . . ?
C32B C31B C33B 112.2(11) . . ?
C32B C31B P4 112.3(9) . . ?
C33B C31B P4 113.3(10) . . ?
C32B C31B H31B 106.2 . . ?
C33B C31B H31B 106.2 . . ?
P4 C31B H31B 106.1 . . ?
C31B C32B H32G 109.5 . . ?
C31B C32B H32H 109.5 . . ?
H32G C32B H32H 109.5 . . ?
C31B C32B H32I 109.5 . . ?
H32G C32B H32I 109.5 . . ?
H32H C32B H32I 109.5 . . ?
C31B C33B H33G 109.5 . . ?
C31B C33B H33H 109.5 . . ?
H33G C33B H33H 109.5 . . ?
C31B C33B H33I 109.5 . . ?
H33G C33B H33I 109.5 . . ?
H33H C33B H33I 109.5 . . ?
C35B C34B C36B 125.7(13) . . ?
C35B C34B P4 109.9(9) . . ?
C36B C34B P4 99.5(10) . . ?
C35B C34B H34B 106.8 . . ?
C36B C34B H34B 106.8 . . ?
P4 C34B H34B 106.8 . . ?
C34B C35B H35G 109.5 . . ?
C34B C35B H35H 109.5 . . ?
H35G C35B H35H 109.5 . . ?
C34B C35B H35I 109.5 . . ?
H35G C35B H35I 109.5 . . ?
H35H C35B H35I 109.5 . . ?
C34B C36B H36G 109.5 . . ?
C34B C36B H36H 109.5 . . ?
H36G C36B H36H 109.5 . . ?
C34B C36B H36I 109.5 . . ?
H36G C36B H36I 109.5 . . ?
H36H C36B H36I 109.5 . . ?
C2E C1E C6E 120.0 . . ?
C2E C1E B1E 130.6(9) . . ?
C6E C1E B1E 109.3(9) . . ?
C3E C2E C1E 120.0 . . ?
C3E C2E H2E 120.0 . . ?
C1E C2E H2E 120.0 . . ?
C2E C3E C4E 120.0 . . ?
C2E C3E H3E 120.0 . . ?
C4E C3E H3E 120.0 . . ?
C3E C4E C5E 120.0 . . ?
C3E C4E H4E 120.0 . . ?
C5E C4E H4E 120.0 . . ?
C6E C5E C4E 120.0 . . ?
C6E C5E H5E 120.0 . . ?
C4E C5E H5E 120.0 . . ?
C5E C6E C1E 120.0 . . ?
C5E C6E B2E 118.3(6) . . ?
C1E C6E B2E 119.9(6) . . ?
C5E C6E Au2 109.8(4) . . ?
C1E C6E Au2 81.2(4) . . ?
B2E C6E Au2 92.5(4) . . ?
O4 B1E C1E 110.4(7) . . ?
O4 B1E C13E 104.0(10) . . ?
C1E B1E C13E 117.4(11) . . ?
O4 B1E C12E 100.4(9) . . ?
C1E B1E C12E 118.9(10) . . ?
C13E B1E C12E 103.5(8) . . ?
C8E C7E C12E 120.0 . . ?
C8E C7E B2E 122.0(6) . . ?
C12E C7E B2E 116.5(6) . . ?
C8E C7E Au2 108.9(4) . . ?
C12E C7E Au2 79.5(3) . . ?
B2E C7E Au2 92.8(4) . . ?
C9E C8E C7E 120.0 . . ?
C9E C8E H8E 120.0 . . ?
C7E C8E H8E 120.0 . . ?
C10E C9E C8E 120.0 . . ?
C10E C9E H9E 120.0 . . ?
C8E C9E H9E 120.0 . . ?
C9E C10E C11E 120.0 . . ?
C9E C10E H10E 120.0 . . ?
C11E C10E H10E 120.0 . . ?
C10E C11E C12E 120.0 . . ?
C10E C11E H11E 120.0 . . ?
C12E C11E H11E 120.0 . . ?
C11E C12E C7E 120.0 . . ?
C11E C12E B1E 129.7(6) . . ?
C7E C12E B1E 110.3(6) . . ?
O5 B2E C7E 105.0(6) . . ?
O5 B2E C6E 110.9(6) . . ?
C7E B2E C6E 109.5(6) . . ?
O5 B2E C25E 114.0(6) . . ?
C7E B2E C25E 100.3(7) . . ?
C6E B2E C25E 115.9(7) . . ?
C14E C13E C18E 120.0 . . ?
C14E C13E B1E 117.3(7) . . ?
C18E C13E B1E 120.7(8) . . ?
C15E C14E C13E 120.0 . . ?
C15E C14E P3E 115.0(7) . . ?
C13E C14E P3E 125.0(7) . . ?
C14E C15E C16E 120.0 . . ?
C14E C15E H15E 120.0 . . ?
C16E C15E H15E 120.0 . . ?
C17E C16E C15E 120.0 . . ?
C17E C16E H16E 120.0 . . ?
C15E C16E H16E 120.0 . . ?
C16E C17E C18E 120.0 . . ?
C16E C17E H17E 120.0 . . ?
C18E C17E H17E 120.0 . . ?
C17E C18E C13E 120.0 . . ?
C17E C18E H18E 120.0 . . ?
C13E C18E H18E 120.0 . . ?
C22E P3E C14E 103.9(6) . . ?
C22E P3E C19E 106.6(6) . . ?
C14E P3E C19E 104.9(8) . . ?
C22E P3E Au2 113.4(4) . . ?
C14E P3E Au2 119.0(6) . . ?
C19E P3E Au2 108.2(5) . . ?
C21E C19E C20E 113.1(12) . . ?
C21E C19E P3E 112.4(9) . . ?
C20E C19E P3E 114.5(10) . . ?
C21E C19E H19B 105.3 . . ?
C20E C19E H19B 105.3 . . ?
P3E C19E H19B 105.3 . . ?
C19E C20E H20G 109.5 . . ?
C19E C20E H20H 109.5 . . ?
H20G C20E H20H 109.5 . . ?
C19E C20E H20I 109.5 . . ?
H20G C20E H20I 109.5 . . ?
H20H C20E H20I 109.5 . . ?
C19E C21E H21G 109.5 . . ?
C19E C21E H21H 109.5 . . ?
H21G C21E H21H 109.5 . . ?
C19E C21E H21I 109.5 . . ?
H21G C21E H21I 109.5 . . ?
H21H C21E H21I 109.5 . . ?
C24E C22E C23E 110.4(12) . . ?
C24E C22E P3E 111.2(10) . . ?
C23E C22E P3E 109.5(9) . . ?
C24E C22E H22B 108.6 . . ?
C23E C22E H22B 108.6 . . ?
P3E C22E H22B 108.6 . . ?
C22E C23E H23G 109.5 . . ?
C22E C23E H23H 109.5 . . ?
H23G C23E H23H 109.5 . . ?
C22E C23E H23I 109.5 . . ?
H23G C23E H23I 109.5 . . ?
H23H C23E H23I 109.5 . . ?
C22E C24E H24G 109.5 . . ?
C22E C24E H24H 109.5 . . ?
H24G C24E H24H 109.5 . . ?
C22E C24E H24I 109.5 . . ?
H24G C24E H24I 109.5 . . ?
H24H C24E H24I 109.5 . . ?
C26E C25E C30E 120.0 . . ?
C26E C25E B2E 121.2(7) . . ?
C30E C25E B2E 118.1(7) . . ?
C25E C26E C27E 120.0 . . ?
C25E C26E P4E 125.8(5) . . ?
C27E C26E P4E 114.2(5) . . ?
C28E C27E C26E 120.0 . . ?
C28E C27E H27E 120.0 . . ?
C26E C27E H27E 120.0 . . ?
C27E C28E C29E 120.0 . . ?
C27E C28E H28E 120.0 . . ?
C29E C28E H28E 120.0 . . ?
C30E C29E C28E 120.0 . . ?
C30E C29E H29E 120.0 . . ?
C28E C29E H29E 120.0 . . ?
C29E C30E C25E 120.0 . . ?
C29E C30E H30E 120.0 . . ?
C25E C30E H30E 120.0 . . ?
C31E P4E C34E 106.9(6) . . ?
C31E P4E C26E 106.7(5) . . ?
C34E P4E C26E 103.5(5) . . ?
C31E P4E Au2 107.5(4) . . ?
C34E P4E Au2 114.7(4) . . ?
C26E P4E Au2 116.8(3) . . ?
C32E C31E C33E 126.2(12) . . ?
C32E C31E P4E 110.5(8) . . ?
C33E C31E P4E 101.1(11) . . ?
C32E C31E H31E 105.8 . . ?
C33E C31E H31E 105.8 . . ?
P4E C31E H31E 105.8 . . ?
C31E C32E H32J 109.5 . . ?
C31E C32E H32K 109.5 . . ?
H32J C32E H32K 109.5 . . ?
C31E C32E H32L 109.5 . . ?
H32J C32E H32L 109.5 . . ?
H32K C32E H32L 109.5 . . ?
C31E C33E H33J 109.5 . . ?
C31E C33E H33K 109.5 . . ?
H33J C33E H33K 109.5 . . ?
C31E C33E H33L 109.5 . . ?
H33J C33E H33L 109.5 . . ?
H33K C33E H33L 109.5 . . ?
C35E C34E C36E 110.5(10) . . ?
C35E C34E P4E 112.5(8) . . ?
C36E C34E P4E 114.2(9) . . ?
C35E C34E H34E 106.3 . . ?
C36E C34E H34E 106.3 . . ?
P4E C34E H34E 106.3 . . ?
C34E C35E H35J 109.5 . . ?
C34E C35E H35K 109.5 . . ?
H35J C35E H35K 109.5 . . ?
C34E C35E H35L 109.5 . . ?
H35J C35E H35L 109.5 . . ?
H35K C35E H35L 109.5 . . ?
C34E C36E H36J 109.5 . . ?
C34E C36E H36K 109.5 . . ?
H36J C36E H36K 109.5 . . ?
C34E C36E H36L 109.5 . . ?
H36J C36E H36L 109.5 . . ?
H36K C36E H36L 109.5 . . ?
O6 C2 O5 118.2(5) . . ?
O6 C2 O4 118.7(4) . . ?
O5 C2 O4 123.2(4) . . ?
C2 O4 B1B 128.6(7) . . ?
C2 O4 B1E 122.1(7) . . ?
C2 O4 K1B 82.6(3) . . ?
B1B O4 K1B 145.6(5) . . ?
B1E O4 K1B 154.4(6) . . ?
C2 O5 B2E 130.1(5) . . ?
C2 O5 B2B 125.5(5) . . ?
C2 O6 K1B 116.3(3) . . ?
C8S C7S C12S 120.0 . . ?
C8S C7S K1B 117.4(5) . . ?
C12S C7S K1B 77.6(6) . . ?
C8S C7S H7S 120.0 . . ?
C12S C7S H7S 120.0 . . ?
K1B C7S H7S 75.8 . . ?
C9S C8S C7S 120.0 . . ?
C9S C8S H8S 120.0 . . ?
C7S C8S H8S 120.0 . . ?
C10S C9S C8S 120.0 . . ?
C10S C9S H9S 120.0 . . ?
C8S C9S H9S 120.0 . . ?
C9S C10S C11S 120.0 . . ?
C9S C10S H10S 120.0 . . ?
C11S C10S H10S 120.0 . . ?
C12S C11S C10S 120.0 . . ?
C12S C11S H11S 120.0 . . ?
C10S C11S H11S 120.0 . . ?
C11S C12S C7S 120.0 . . ?
C11S C12S H12S 120.0 . . ?
C7S C12S H12S 120.0 . . ?
O6 K1B O4D 77.84(11) . . ?
O6 K1B O2D 87.49(12) . . ?
O4D K1B O2D 121.89(11) . . ?
O6 K1B O3D 78.91(11) . . ?
O4D K1B O3D 60.96(11) . . ?
O2D K1B O3D 61.10(10) . . ?
O6 K1B O5D 111.84(11) . . ?
O4D K1B O5D 59.66(10) . . ?
O2D K1B O5D 159.63(11) . . ?
O3D K1B O5D 114.70(10) . . ?
O6 K1B O6D 132.39(11) . . ?
O4D K1B O6D 116.65(10) . . ?
O2D K1B O6D 114.51(10) . . ?
O3D K1B O6D 148.63(11) . . ?
O5D K1B O6D 57.39(9) . . ?
O6 K1B O1D 124.80(11) . . ?
O4D K1B O1D 156.18(12) . . ?
O2D K1B O1D 58.74(10) . . ?
O3D K1B O1D 112.25(10) . . ?
O5D K1B O1D 110.83(10) . . ?
O6D K1B O1D 55.81(9) . . ?
O6 K1B O4 42.20(10) . . ?
O4D K1B O4 103.54(10) . . ?
O2D K1B O4 101.47(11) . . ?
O3D K1B O4 120.59(10) . . ?
O5D K1B O4 97.45(10) . . ?
O6D K1B O4 90.74(10) . . ?
O1D K1B O4 99.28(10) . . ?
O6 K1B C7T 155.2(3) . . ?
O4D K1B C7T 82.3(4) . . ?
O2D K1B C7T 90.6(6) . . ?
O3D K1B C7T 78.6(3) . . ?
O5D K1B C7T 69.2(6) . . ?
O6D K1B C7T 70.3(3) . . ?
O1D K1B C7T 73.9(4) . . ?
O4 K1B C7T 160.5(4) . . ?
O6 K1B C7S 154.26(17) . . ?
O4D K1B C7S 93.9(2) . . ?
O2D K1B C7S 76.2(2) . . ?
O3D K1B C7S 75.81(16) . . ?
O5D K1B C7S 83.5(2) . . ?
O6D K1B C7S 73.14(16) . . ?
O1D K1B C7S 62.5(2) . . ?
O4 K1B C7S 160.37(19) . . ?
C8T C7T C12T 120.0 . . ?
C8T C7T K1B 92.9(12) . . ?
C12T C7T K1B 110.0(13) . . ?
C8T C7T H7T 120.0 . . ?
C12T C7T H7T 120.0 . . ?
K1B C7T H7T 66.8 . . ?
C7T C8T C9T 120.0 . . ?
C7T C8T H8T 120.0 . . ?
C9T C8T H8T 120.0 . . ?
C10T C9T C8T 120.0 . . ?
C10T C9T H9T 120.0 . . ?
C8T C9T H9T 120.0 . . ?
C9T C10T C11T 120.0 . . ?
C9T C10T H10T 120.0 . . ?
C11T C10T H10T 120.0 . . ?
C10T C11T C12T 120.0 . . ?
C10T C11T H11T 120.0 . . ?
C12T C11T H11T 120.0 . . ?
C11T C12T C7T 120.0 . . ?
C11T C12T H12T 120.0 . . ?
C7T C12T H12T 120.0 . . ?
C1D O1D C12D 112.3(4) . . ?
C1D O1D K1B 102.8(3) . . ?
C12D O1D K1B 116.1(3) . . ?
O1D C1D C2D 107.9(5) . . ?
O1D C1D H1D1 110.1 . . ?
C2D C1D H1D1 110.1 . . ?
O1D C1D H1D2 110.1 . . ?
C2D C1D H1D2 110.1 . . ?
H1D1 C1D H1D2 108.4 . . ?
O2D C2D C1D 108.7(4) . . ?
O2D C2D H2D1 110.0 . . ?
C1D C2D H2D1 110.0 . . ?
O2D C2D H2D2 110.0 . . ?
C1D C2D H2D2 110.0 . . ?
H2D1 C2D H2D2 108.3 . . ?
C2D O2D C3D 113.1(4) . . ?
C2D O2D K1B 120.7(3) . . ?
C3D O2D K1B 116.9(3) . . ?
O2D C3D C4D 108.6(4) . . ?
O2D C3D H3D1 110.0 . . ?
C4D C3D H3D1 110.0 . . ?
O2D C3D H3D2 110.0 . . ?
C4D C3D H3D2 110.0 . . ?
H3D1 C3D H3D2 108.3 . . ?
O3D C4D C3D 108.7(4) . . ?
O3D C4D H4D1 110.0 . . ?
C3D C4D H4D1 110.0 . . ?
O3D C4D H4D2 110.0 . . ?
C3D C4D H4D2 110.0 . . ?
H4D1 C4D H4D2 108.3 . . ?
C5D O3D C4D 111.4(4) . . ?
C5D O3D K1B 108.4(3) . . ?
C4D O3D K1B 108.5(3) . . ?
O3D C5D C6D 109.5(4) . . ?
O3D C5D H5D1 109.8 . . ?
C6D C5D H5D1 109.8 . . ?
O3D C5D H5D2 109.8 . . ?
C6D C5D H5D2 109.8 . . ?
H5D1 C5D H5D2 108.2 . . ?
O4D C6D C5D 108.4(4) . . ?
O4D C6D H6D1 110.0 . . ?
C5D C6D H6D1 110.0 . . ?
O4D C6D H6D2 110.0 . . ?
C5D C6D H6D2 110.0 . . ?
H6D1 C6D H6D2 108.4 . . ?
C6D O4D C7D 112.4(4) . . ?
C6D O4D K1B 118.9(3) . . ?
C7D O4D K1B 121.1(3) . . ?
O4D C7D C8D 107.4(4) . . ?
O4D C7D H7D1 110.2 . . ?
C8D C7D H7D1 110.2 . . ?
O4D C7D H7D2 110.2 . . ?
C8D C7D H7D2 110.2 . . ?
H7D1 C7D H7D2 108.5 . . ?
O5D C8D C7D 108.8(4) . . ?
O5D C8D H8D1 109.9 . . ?
C7D C8D H8D1 109.9 . . ?
O5D C8D H8D2 109.9 . . ?
C7D C8D H8D2 109.9 . . ?
H8D1 C8D H8D2 108.3 . . ?
C9D O5D C8D 113.2(4) . . ?
C9D O5D K1B 108.7(3) . . ?
C8D O5D K1B 103.3(3) . . ?
O5D C9D C10D 108.2(4) . . ?
O5D C9D H9D1 110.1 . . ?
C10D C9D H9D1 110.1 . . ?
O5D C9D H9D2 110.1 . . ?
C10D C9D H9D2 110.1 . . ?
H9D1 C9D H9D2 108.4 . . ?
O6D C10D C9D 107.7(4) . . ?
O6D C10D H10F 110.2 . . ?
C9D C10D H10F 110.2 . . ?
O6D C10D H10G 110.2 . . ?
C9D C10D H10G 110.2 . . ?
H10F C10D H10G 108.5 . . ?
C10D O6D C11D 113.6(4) . . ?
C10D O6D K1B 118.3(3) . . ?
C11D O6D K1B 120.5(3) . . ?
O6D C11D C12D 107.8(4) . . ?
O6D C11D H11F 110.1 . . ?
C12D C11D H11F 110.1 . . ?
O6D C11D H11G 110.1 . . ?
C12D C11D H11G 110.1 . . ?
H11F C11D H11G 108.5 . . ?
O1D C12D C11D 108.1(4) . . ?
O1D C12D H12C 110.1 . . ?
C11D C12D H12C 110.1 . . ?
O1D C12D H12D 110.1 . . ?
C11D C12D H12D 110.1 . . ?
H12C C12D H12D 108.4 . . ?

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
O1 B1A C1A C2A -95.3(5) . . . . ?
C13A B1A C1A C2A 24.1(7) . . . . ?
C12A B1A C1A C2A 151.4(5) . . . . ?
O1 B1A C1A C6A 72.9(5) . . . . ?
C13A B1A C1A C6A -167.8(4) . . . . ?
C12A B1A C1A C6A -40.4(6) . . . . ?
C6A C1A C2A C3A 1.3(9) . . . . ?
B1A C1A C2A C3A 169.1(6) . . . . ?
C1A C2A C3A C4A -2.8(10) . . . . ?
C2A C3A C4A C5A 1.3(11) . . . . ?
C3A C4A C5A C6A 1.6(10) . . . . ?
C4A C5A C6A C1A -3.0(8) . . . . ?
C4A C5A C6A B2A -170.1(6) . . . . ?
C2A C1A C6A C5A 1.5(7) . . . . ?
B1A C1A C6A C5A -167.3(5) . . . . ?
C2A C1A C6A B2A 170.1(5) . . . . ?
B1A C1A C6A B2A 1.3(6) . . . . ?
C5A C6A B2A O2 94.3(6) . . . . ?
C1A C6A B2A O2 -73.2(5) . . . . ?
C5A C6A B2A C7A -153.1(5) . . . . ?
C1A C6A B2A C7A 39.5(6) . . . . ?
C5A C6A B2A C25A -26.4(7) . . . . ?
C1A C6A B2A C25A 166.2(4) . . . . ?
O2 B2A C7A C8A -94.6(6) . . . . ?
C25A B2A C7A C8A 24.3(7) . . . . ?
C6A B2A C7A C8A 152.1(5) . . . . ?
O2 B2A C7A C12A 72.0(5) . . . . ?
C25A B2A C7A C12A -169.1(4) . . . . ?
C6A B2A C7A C12A -41.3(6) . . . . ?
C12A C7A C8A C9A 0.3(8) . . . . ?
B2A C7A C8A C9A 166.5(5) . . . . ?
C7A C8A C9A C10A 0.4(9) . . . . ?
C8A C9A C10A C11A -1.7(9) . . . . ?
C9A C10A C11A C12A 2.4(9) . . . . ?
C10A C11A C12A C7A -1.6(8) . . . . ?
C10A C11A C12A B1A -169.6(5) . . . . ?
C8A C7A C12A C11A 0.3(7) . . . . ?
B2A C7A C12A C11A -167.3(5) . . . . ?
C8A C7A C12A B1A 169.4(4) . . . . ?
B2A C7A C12A B1A 1.8(6) . . . . ?
O1 B1A C12A C11A 93.2(5) . . . . ?
C13A B1A C12A C11A -25.8(7) . . . . ?
C1A B1A C12A C11A -153.0(5) . . . . ?
O1 B1A C12A C7A -75.1(5) . . . . ?
C13A B1A C12A C7A 165.9(4) . . . . ?
C1A B1A C12A C7A 38.7(6) . . . . ?
O1 B1A C13A C18A 4.6(7) . . . . ?
C12A B1A C13A C18A 119.0(5) . . . . ?
C1A B1A C13A C18A -110.7(5) . . . . ?
O1 B1A C13A C14A -176.0(5) . . . . ?
C12A B1A C13A C14A -61.6(6) . . . . ?
C1A B1A C13A C14A 68.7(6) . . . . ?
C18A C13A C14A C15A 1.0(8) . . . . ?
B1A C13A C14A C15A -178.5(5) . . . . ?
C18A C13A C14A P1A -173.2(4) . . . . ?
B1A C13A C14A P1A 7.3(8) . . . . ?
C18A C13A C14A P1F 156.4(5) . . . . ?
B1A C13A C14A P1F -23.0(7) . . . . ?
C13A C14A C15A C16A -1.8(9) . . . . ?
P1A C14A C15A C16A 172.8(4) . . . . ?
P1F C14A C15A C16A -157.3(5) . . . . ?
C14A C15A C16A C17A 1.7(8) . . . . ?
C15A C16A C17A C18A -0.8(8) . . . . ?
C16A C17A C18A C13A 0.0(8) . . . . ?
C14A C13A C18A C17A -0.1(8) . . . . ?
B1A C13A C18A C17A 179.3(5) . . . . ?
C15A C14A P1A C19A 44.3(6) . . . . ?
C13A C14A P1A C19A -141.3(6) . . . . ?
P1F C14A P1A C19A -54.8(5) . . . . ?
C15A C14A P1A C22A -67.8(6) . . . . ?
C13A C14A P1A C22A 106.6(6) . . . . ?
P1F C14A P1A C22A -166.9(5) . . . . ?
C15A C14A P1A Au1 167.3(4) . . . . ?
C13A C14A P1A Au1 -18.3(6) . . . . ?
P1F C14A P1A Au1 68.3(4) . . . . ?
C14A P1A C19A C20A 56.5(7) . . . . ?
C22A P1A C19A C20A 168.1(6) . . . . ?
Au1 P1A C19A C20A -71.6(6) . . . . ?
C14A P1A C19A C21A -179.0(9) . . . . ?
C22A P1A C19A C21A -67.4(10) . . . . ?
Au1 P1A C19A C21A 53.0(10) . . . . ?
C14A P1A C22A C24A -150.5(6) . . . . ?
C19A P1A C22A C24A 100.1(7) . . . . ?
Au1 P1A C22A C24A -20.6(7) . . . . ?
C14A P1A C22A C23A 81.0(7) . . . . ?
C19A P1A C22A C23A -28.4(8) . . . . ?
Au1 P1A C22A C23A -149.2(6) . . . . ?
O2 B2A C25A C30A 5.2(8) . . . . ?
C7A B2A C25A C30A -108.3(6) . . . . ?
C6A B2A C25A C30A 121.2(6) . . . . ?
O2 B2A C25A C26A -179.8(6) . . . . ?
C7A B2A C25A C26A 66.7(7) . . . . ?
C6A B2A C25A C26A -63.8(7) . . . . ?
C30A C25A C26A C27A 1.2(10) . . . . ?
B2A C25A C26A C27A -174.0(7) . . . . ?
C30A C25A C26A P2A -174.7(5) . . . . ?
B2A C25A C26A P2A 10.1(9) . . . . ?
C30A C25A C26A P2F 150.9(6) . . . . ?
B2A C25A C26A P2F -24.3(9) . . . . ?
C25A C26A C27A C28A -0.1(13) . . . . ?
P2A C26A C27A C28A 176.0(7) . . . . ?
P2F C26A C27A C28A -152.3(8) . . . . ?
C26A C27A C28A C29A -1.2(14) . . . . ?
C27A C28A C29A C30A 1.3(13) . . . . ?
C28A C29A C30A C25A -0.2(11) . . . . ?
C26A C25A C30A C29A -1.1(10) . . . . ?
B2A C25A C30A C29A 174.1(6) . . . . ?
C27A C26A P2A C31A -71.7(8) . . . . ?
C25A C26A P2A C31A 104.3(7) . . . . ?
P2F C26A P2A C31A -158.4(5) . . . . ?
C27A C26A P2A C34A 40.9(8) . . . . ?
C25A C26A P2A C34A -143.1(7) . . . . ?
P2F C26A P2A C34A -45.8(5) . . . . ?
C27A C26A P2A Au1 162.1(6) . . . . ?
C25A C26A P2A Au1 -21.9(7) . . . . ?
P2F C26A P2A Au1 75.4(4) . . . . ?
C34A P2A C31A C32A 97.0(8) . . . . ?
C26A P2A C31A C32A -153.8(7) . . . . ?
Au1 P2A C31A C32A -23.5(9) . . . . ?
C34A P2A C31A C33A -29.8(9) . . . . ?
C26A P2A C31A C33A 79.5(8) . . . . ?
Au1 P2A C31A C33A -150.3(7) . . . . ?
C31A P2A C34A C35A 169.4(8) . . . . ?
C26A P2A C34A C35A 58.0(8) . . . . ?
Au1 P2A C34A C35A -68.9(8) . . . . ?
C31A P2A C34A C36A -69.8(10) . . . . ?
C26A P2A C34A C36A 178.9(9) . . . . ?
Au1 P2A C34A C36A 51.9(9) . . . . ?
C19F P1F C22F C24F -170(2) . . . . ?
C14A P1F C22F C24F -52(2) . . . . ?
Au1 P1F C22F C24F 70(2) . . . . ?
C19F P1F C22F C23F 64(2) . . . . ?
C14A P1F C22F C23F -178(2) . . . . ?
Au1 P1F C22F C23F -55(2) . . . . ?
C34F P2F C31F C32F 66(3) . . . . ?
C26A P2F C31F C32F -172(2) . . . . ?
Au1 P2F C31F C32F -53(3) . . . . ?
C34F P2F C31F C33F -169(2) . . . . ?
C26A P2F C31F C33F -47(2) . . . . ?
Au1 P2F C31F C33F 72(2) . . . . ?
C31F P2F C34F C36F 31(4) . . . . ?
C26A P2F C34F C36F -78(4) . . . . ?
Au1 P2F C34F C36F 150(3) . . . . ?
C31F P2F C34F C35F -104(3) . . . . ?
C26A P2F C34F C35F 147(2) . . . . ?
Au1 P2F C34F C35F 15(3) . . . . ?
O3 C1 O1 B1A -173.8(4) . . . . ?
O2 C1 O1 B1A 8.8(7) . . . . ?
C13A B1A O1 C1 175.2(4) . . . . ?
C12A B1A O1 C1 56.3(6) . . . . ?
C1A B1A O1 C1 -65.9(6) . . . . ?
O3 C1 O2 B2A 175.1(5) . . . . ?
O1 C1 O2 B2A -7.6(8) . . . . ?
C7A B2A O2 C1 -58.1(6) . . . . ?
C25A B2A O2 C1 -175.5(4) . . . . ?
C6A B2A O2 C1 64.0(6) . . . . ?
O1 C1 O3 K1A 21.9(8) . . . . ?
O2 C1 O3 K1A -160.6(3) . . . . ?
C6S C1S C2S C3S 0.0 . . . . ?
K1A C1S C2S C3S 102.1(15) . . . . ?
C1S C2S C3S C4S 0.0 . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C3S C4S C5S C6S 0.0 . . . . ?
C4S C5S C6S C1S 0.0 . . . . ?
C2S C1S C6S C5S 0.0 . . . . ?
K1A C1S C6S C5S -121.0(11) . . . . ?
C6T C1T C2T C3T 0.0 . . . . ?
K1A C1T C2T C3T 111.4(10) . . . . ?
C1T C2T C3T C4T 0.0 . . . . ?
C2T C3T C4T C5T 0.0 . . . . ?
C3T C4T C5T C6T 0.0 . . . . ?
C4T C5T C6T C1T 0.0 . . . . ?
C2T C1T C6T C5T 0.0 . . . . ?
K1A C1T C6T C5T -104.0(11) . . . . ?
C12C O1C C1C C2C 172.3(5) . . . . ?
K1A O1C C1C C2C -40.9(5) . . . . ?
O1C C1C C2C O2C 63.8(6) . . . . ?
C1C C2C O2C C3C 178.8(4) . . . . ?
C1C C2C O2C K1A -54.3(5) . . . . ?
C2C O2C C3C C4C -177.9(4) . . . . ?
K1A O2C C3C C4C 55.1(5) . . . . ?
O2C C3C C4C O3C -63.6(6) . . . . ?
C3C C4C O3C C5C -175.3(5) . . . . ?
C3C C4C O3C K1A 40.7(5) . . . . ?
C4C O3C C5C C6C -179.7(5) . . . . ?
K1A O3C C5C C6C -35.8(6) . . . . ?
O3C C5C C6C O4C 67.0(7) . . . . ?
C5C C6C O4C C7C -172.9(6) . . . . ?
C5C C6C O4C K1A -61.1(6) . . . . ?
C6C O4C C7C C8C -178.3(6) . . . . ?
K1A O4C C7C C8C 68.2(6) . . . . ?
O4C C7C C8C O5C -69.1(8) . . . . ?
C7C C8C O5C C9C -173.5(6) . . . . ?
C7C C8C O5C K1A 30.6(8) . . . . ?
C8C O5C C9C C10C 165.6(5) . . . . ?
K1A O5C C9C C10C -40.2(6) . . . . ?
O5C C9C C10C O6C 63.7(6) . . . . ?
C9C C10C O6C C11C -174.2(5) . . . . ?
C9C C10C O6C K1A -56.4(5) . . . . ?
C10C O6C C11C C12C -178.9(5) . . . . ?
K1A O6C C11C C12C 60.8(5) . . . . ?
C1C O1C C12C C11C 178.7(5) . . . . ?
K1A O1C C12C C11C 34.4(6) . . . . ?
O6C C11C C12C O1C -65.7(6) . . . . ?
C6B C1B C2B C3B 0.0 . . . . ?
B1B C1B C2B C3B 166.2(9) . . . . ?
C1B C2B C3B C4B 0.0 . . . . ?
C2B C3B C4B C5B 0.0 . . . . ?
C3B C4B C5B C6B 0.0 . . . . ?
C4B C5B C6B C1B 0.0 . . . . ?
C4B C5B C6B B2B -176.2(8) . . . . ?
C2B C1B C6B C5B 0.0 . . . . ?
B1B C1B C6B C5B -165.6(10) . . . . ?
C2B C1B C6B B2B 176.9(7) . . . . ?
B1B C1B C6B B2B 11.3(9) . . . . ?
C2B C1B B1B C12B 150.3(8) . . . . ?
C6B C1B B1B C12B -43.8(11) . . . . ?
C2B C1B B1B O4 -99.3(9) . . . . ?
C6B C1B B1B O4 66.7(12) . . . . ?
C2B C1B B1B C13B 20.8(11) . . . . ?
C6B C1B B1B C13B -173.3(9) . . . . ?
C12B C7B C8B C9B 0.0 . . . . ?
B2B C7B C8B C9B 169.3(9) . . . . ?
C7B C8B C9B C10B 0.0 . . . . ?
C8B C9B C10B C11B 0.0 . . . . ?
C9B C10B C11B C12B 0.0 . . . . ?
C10B C11B C12B C7B 0.0 . . . . ?
C10B C11B C12B B1B -165.1(10) . . . . ?
C8B C7B C12B C11B 0.0 . . . . ?
B2B C7B C12B C11B -170.7(8) . . . . ?
C8B C7B C12B B1B 164.1(11) . . . . ?
B2B C7B C12B B1B -6.6(8) . . . . ?
O4 B1B C12B C11B 98.8(8) . . . . ?
C1B B1B C12B C11B -155.4(7) . . . . ?
C13B B1B C12B C11B -36.1(11) . . . . ?
O4 B1B C12B C7B -65.9(9) . . . . ?
C1B B1B C12B C7B 39.8(11) . . . . ?
C13B B1B C12B C7B 159.2(7) . . . . ?
C5B C6B B2B O5 92.4(8) . . . . ?
C1B C6B B2B O5 -84.1(5) . . . . ?
C5B C6B B2B C7B -160.6(7) . . . . ?
C1B C6B B2B C7B 22.9(8) . . . . ?
C5B C6B B2B C25B -18.0(10) . . . . ?
C1B C6B B2B C25B 165.5(6) . . . . ?
C8B C7B B2B O5 -91.8(8) . . . . ?
C12B C7B B2B O5 78.2(6) . . . . ?
C8B C7B B2B C6B 162.8(7) . . . . ?
C12B C7B B2B C6B -27.2(8) . . . . ?
C8B C7B B2B C25B 28.5(12) . . . . ?
C12B C7B B2B C25B -161.6(7) . . . . ?
C12B B1B C13B C14B -52.9(11) . . . . ?
O4 B1B C13B C14B 177.7(6) . . . . ?
C1B B1B C13B C14B 73.3(11) . . . . ?
C12B B1B C13B C18B 116.5(13) . . . . ?
O4 B1B C13B C18B -13.0(16) . . . . ?
C1B B1B C13B C18B -117.4(11) . . . . ?
C18B C13B C14B C15B 0.0 . . . . ?
B1B C13B C14B C15B 169.0(12) . . . . ?
C18B C13B C14B P3 176.0(16) . . . . ?
B1B C13B C14B P3 -15.1(10) . . . . ?
C13B C14B C15B C16B 0.0 . . . . ?
P3 C14B C15B C16B -176.2(15) . . . . ?
C14B C15B C16B C17B 0.0 . . . . ?
C15B C16B C17B C18B 0.0 . . . . ?
C16B C17B C18B C13B 0.0 . . . . ?
C14B C13B C18B C17B 0.0 . . . . ?
B1B C13B C18B C17B -169.6(12) . . . . ?
C13B C14B P3 C19B 138.5(9) . . . . ?
C15B C14B P3 C19B -45.4(10) . . . . ?
C13B C14B P3 C22B -107.8(10) . . . . ?
C15B C14B P3 C22B 68.3(10) . . . . ?
C13B C14B P3 Au2 11.7(13) . . . . ?
C15B C14B P3 Au2 -172.2(6) . . . . ?
C14B P3 C19B C21B -58.0(11) . . . . ?
C22B P3 C19B C21B -167.5(10) . . . . ?
Au2 P3 C19B C21B 73.3(9) . . . . ?
C14B P3 C19B C20B 176.8(9) . . . . ?
C22B P3 C19B C20B 67.2(10) . . . . ?
Au2 P3 C19B C20B -51.9(9) . . . . ?
C14B P3 C22B C24B 153.7(13) . . . . ?
C19B P3 C22B C24B -97.1(12) . . . . ?
Au2 P3 C22B C24B 25.5(14) . . . . ?
C14B P3 C22B C23B -80.6(13) . . . . ?
C19B P3 C22B C23B 28.6(13) . . . . ?
Au2 P3 C22B C23B 151.3(9) . . . . ?
O5 B2B C25B C26B -176.8(7) . . . . ?
C6B B2B C25B C26B -74.3(9) . . . . ?
C7B B2B C25B C26B 66.3(11) . . . . ?
O5 B2B C25B C30B 8.9(7) . . . . ?
C6B B2B C25B C30B 111.4(6) . . . . ?
C7B B2B C25B C30B -108.0(8) . . . . ?
C30B C25B C26B C27B 0.0 . . . . ?
B2B C25B C26B C27B -174.2(9) . . . . ?
C30B C25B C26B P4 -171.5(7) . . . . ?
B2B C25B C26B P4 14.3(10) . . . . ?
C25B C26B C27B C28B 0.0 . . . . ?
P4 C26B C27B C28B 171.8(7) . . . . ?
C26B C27B C28B C29B 0.0 . . . . ?
C27B C28B C29B C30B 0.0 . . . . ?
C28B C29B C30B C25B 0.0 . . . . ?
C26B C25B C30B C29B 0.0 . . . . ?
B2B C25B C30B C29B 174.3(8) . . . . ?
C27B C26B P4 C34B 45.3(6) . . . . ?
C25B C26B P4 C34B -143.1(7) . . . . ?
C27B C26B P4 C31B -65.5(7) . . . . ?
C25B C26B P4 C31B 106.1(8) . . . . ?
C27B C26B P4 Au2 165.9(4) . . . . ?
C25B C26B P4 Au2 -22.5(7) . . . . ?
C26B P4 C31B C32B -149.3(9) . . . . ?
C34B P4 C31B C32B 100.8(10) . . . . ?
Au2 P4 C31B C32B -17.5(11) . . . . ?
C26B P4 C31B C33B 82.4(10) . . . . ?
C34B P4 C31B C33B -27.6(12) . . . . ?
Au2 P4 C31B C33B -145.8(9) . . . . ?
C26B P4 C34B C35B 59.4(10) . . . . ?
C31B P4 C34B C35B 168.6(10) . . . . ?
Au2 P4 C34B C35B -68.8(10) . . . . ?
C26B P4 C34B C36B -167.0(12) . . . . ?
C31B P4 C34B C36B -57.8(13) . . . . ?
Au2 P4 C34B C36B 64.8(12) . . . . ?
C6E C1E C2E C3E 0.0 . . . . ?
B1E C1E C2E C3E 175.7(10) . . . . ?
C1E C2E C3E C4E 0.0 . . . . ?
C2E C3E C4E C5E 0.0 . . . . ?
C3E C4E C5E C6E 0.0 . . . . ?
C4E C5E C6E C1E 0.0 . . . . ?
C4E C5E C6E B2E -164.7(7) . . . . ?
C4E C5E C6E Au2 91.1(4) . . . . ?
C2E C1E C6E C5E 0.0 . . . . ?
B1E C1E C6E C5E -176.6(8) . . . . ?
C2E C1E C6E B2E 164.4(7) . . . . ?
B1E C1E C6E B2E -12.1(7) . . . . ?
C2E C1E C6E Au2 -107.8(4) . . . . ?
B1E C1E C6E Au2 75.6(6) . . . . ?
C2E C1E B1E O4 -94.5(11) . . . . ?
C6E C1E B1E O4 81.6(12) . . . . ?
C2E C1E B1E C13E 24.5(14) . . . . ?
C6E C1E B1E C13E -159.4(10) . . . . ?
C2E C1E B1E C12E 150.4(8) . . . . ?
C6E C1E B1E C12E -33.5(9) . . . . ?
C12E C7E C8E C9E 0.0 . . . . ?
B2E C7E C8E C9E 165.5(7) . . . . ?
Au2 C7E C8E C9E -88.6(3) . . . . ?
C7E C8E C9E C10E 0.0 . . . . ?
C8E C9E C10E C11E 0.0 . . . . ?
C9E C10E C11E C12E 0.0 . . . . ?
C10E C11E C12E C7E 0.0 . . . . ?
C10E C11E C12E B1E -179.1(9) . . . . ?
C8E C7E C12E C11E 0.0 . . . . ?
B2E C7E C12E C11E -166.3(7) . . . . ?
Au2 C7E C12E C11E 105.8(4) . . . . ?
C8E C7E C12E B1E 179.3(7) . . . . ?
B2E C7E C12E B1E 13.0(6) . . . . ?
Au2 C7E C12E B1E -74.9(5) . . . . ?
O4 B1E C12E C11E 92.5(8) . . . . ?
C1E B1E C12E C11E -147.1(8) . . . . ?
C13E B1E C12E C11E -14.7(9) . . . . ?
O4 B1E C12E C7E -86.7(6) . . . . ?
C1E B1E C12E C7E 33.7(9) . . . . ?
C13E B1E C12E C7E 166.1(5) . . . . ?
C8E C7E B2E O5 -102.7(7) . . . . ?
C12E C7E B2E O5 63.3(7) . . . . ?
Au2 C7E B2E O5 143.0(5) . . . . ?
C8E C7E B2E C6E 138.2(6) . . . . ?
C12E C7E B2E C6E -55.8(7) . . . . ?
Au2 C7E B2E C6E 23.9(6) . . . . ?
C8E C7E B2E C25E 15.8(8) . . . . ?
C12E C7E B2E C25E -178.2(5) . . . . ?
Au2 C7E B2E C25E -98.5(5) . . . . ?
C5E C6E B2E O5 106.8(7) . . . . ?
C1E C6E B2E O5 -57.9(7) . . . . ?
Au2 C6E B2E O5 -139.2(5) . . . . ?
C5E C6E B2E C7E -137.8(6) . . . . ?
C1E C6E B2E C7E 57.5(7) . . . . ?
Au2 C6E B2E C7E -23.8(6) . . . . ?
C5E C6E B2E C25E -25.3(9) . . . . ?
C1E C6E B2E C25E 170.0(6) . . . . ?
Au2 C6E B2E C25E 88.8(7) . . . . ?
O4 B1E C13E C14E -179.2(6) . . . . ?
C1E B1E C13E C14E 58.5(13) . . . . ?
C12E B1E C13E C14E -74.6(7) . . . . ?
O4 B1E C13E C18E 16.7(15) . . . . ?
C1E B1E C13E C18E -105.6(12) . . . . ?
C12E B1E C13E C18E 121.2(11) . . . . ?
C18E C13E C14E C15E 0.0 . . . . ?
B1E C13E C14E C15E -164.3(12) . . . . ?
C18E C13E C14E P3E -177.4(16) . . . . ?
B1E C13E C14E P3E 18.3(10) . . . . ?
C13E C14E C15E C16E 0.0 . . . . ?
P3E C14E C15E C16E 177.7(14) . . . . ?
C14E C15E C16E C17E 0.0 . . . . ?
C15E C16E C17E C18E 0.0 . . . . ?
C16E C17E C18E C13E 0.0 . . . . ?
C14E C13E C18E C17E 0.0 . . . . ?
B1E C13E C18E C17E 163.7(11) . . . . ?
C15E C14E P3E C22E 37.5(9) . . . . ?
C13E C14E P3E C22E -145.0(9) . . . . ?
C15E C14E P3E C19E -74.2(9) . . . . ?
C13E C14E P3E C19E 103.3(10) . . . . ?
C15E C14E P3E Au2 164.7(5) . . . . ?
C13E C14E P3E Au2 -17.8(12) . . . . ?
C22E P3E C19E C21E 94.4(11) . . . . ?
C14E P3E C19E C21E -155.8(10) . . . . ?
Au2 P3E C19E C21E -27.8(11) . . . . ?
C22E P3E C19E C20E -36.4(12) . . . . ?
C14E P3E C19E C20E 73.4(12) . . . . ?
Au2 P3E C19E C20E -158.6(9) . . . . ?
C14E P3E C22E C24E 59.5(13) . . . . ?
C19E P3E C22E C24E 170.0(11) . . . . ?
Au2 P3E C22E C24E -71.1(11) . . . . ?
C14E P3E C22E C23E -178.2(10) . . . . ?
C19E P3E C22E C23E -67.8(10) . . . . ?
Au2 P3E C22E C23E 51.1(9) . . . . ?
O5 B2E C25E C26E 167.9(6) . . . . ?
C7E B2E C25E C26E 56.3(9) . . . . ?
C6E B2E C25E C26E -61.5(10) . . . . ?
O5 B2E C25E C30E -21.9(8) . . . . ?
C7E B2E C25E C30E -133.5(6) . . . . ?
C6E B2E C25E C30E 108.7(7) . . . . ?
C30E C25E C26E C27E 0.0 . . . . ?
B2E C25E C26E C27E 170.0(8) . . . . ?
C30E C25E C26E P4E -177.2(7) . . . . ?
B2E C25E C26E P4E -7.1(10) . . . . ?
C25E C26E C27E C28E 0.0 . . . . ?
P4E C26E C27E C28E 177.5(6) . . . . ?
C26E C27E C28E C29E 0.0 . . . . ?
C27E C28E C29E C30E 0.0 . . . . ?
C28E C29E C30E C25E 0.0 . . . . ?
C26E C25E C30E C29E 0.0 . . . . ?
B2E C25E C30E C29E -170.3(8) . . . . ?
C25E C26E P4E C31E 135.5(7) . . . . ?
C27E C26E P4E C31E -41.8(6) . . . . ?
C25E C26E P4E C34E -111.9(7) . . . . ?
C27E C26E P4E C34E 70.8(6) . . . . ?
C25E C26E P4E Au2 15.2(7) . . . . ?
C27E C26E P4E Au2 -162.1(3) . . . . ?
C34E P4E C31E C32E -168.4(9) . . . . ?
C26E P4E C31E C32E -58.1(10) . . . . ?
Au2 P4E C31E C32E 68.0(9) . . . . ?
C34E P4E C31E C33E 55.8(10) . . . . ?
C26E P4E C31E C33E 166.1(9) . . . . ?
Au2 P4E C31E C33E -67.8(9) . . . . ?
C31E P4E C34E C35E -97.8(10) . . . . ?
C26E P4E C34E C35E 149.7(8) . . . . ?
Au2 P4E C34E C35E 21.3(10) . . . . ?
C31E P4E C34E C36E 29.3(10) . . . . ?
C26E P4E C34E C36E -83.2(9) . . . . ?
Au2 P4E C34E C36E 148.3(7) . . . . ?
O6 C2 O4 B1B -167.7(7) . . . . ?
O5 C2 O4 B1B 12.9(9) . . . . ?
O6 C2 O4 B1E -176.8(7) . . . . ?
O5 C2 O4 B1E 3.8(9) . . . . ?
O6 C2 O4 K1B -3.6(4) . . . . ?
O5 C2 O4 K1B 176.9(4) . . . . ?
C12B B1B O4 C2 50.7(9) . . . . ?
C1B B1B O4 C2 -67.2(12) . . . . ?
C13B B1B O4 C2 -173.4(8) . . . . ?
C12B B1B O4 B1E 102(8) . . . . ?
C1B B1B O4 B1E -16(7) . . . . ?
C13B B1B O4 B1E -122(9) . . . . ?
C12B B1B O4 K1B -100.5(14) . . . . ?
C1B B1B O4 K1B 141.6(6) . . . . ?
C13B B1B O4 K1B 35.4(18) . . . . ?
C1E B1E O4 C2 -64.8(14) . . . . ?
C13E B1E O4 C2 168.4(8) . . . . ?
C12E B1E O4 C2 61.5(7) . . . . ?
C1E B1E O4 B1B 161(9) . . . . ?
C13E B1E O4 B1B 35(7) . . . . ?
C12E B1E O4 B1B -72(8) . . . . ?
C1E B1E O4 K1B 131.1(8) . . . . ?
C13E B1E O4 K1B 4(2) . . . . ?
C12E B1E O4 K1B -102.6(16) . . . . ?
O6 C2 O5 B2E 175.6(5) . . . . ?
O4 C2 O5 B2E -4.9(8) . . . . ?
O6 C2 O5 B2B 172.3(5) . . . . ?
O4 C2 O5 B2B -8.2(7) . . . . ?
C7E B2E O5 C2 -60.2(8) . . . . ?
C6E B2E O5 C2 58.0(8) . . . . ?
C25E B2E O5 C2 -169.0(6) . . . . ?
C7E B2E O5 B2B -30(5) . . . . ?
C6E B2E O5 B2B 88(5) . . . . ?
C25E B2E O5 B2B -138(6) . . . . ?
C6B B2B O5 C2 66.4(6) . . . . ?
C7B B2B O5 C2 -56.1(7) . . . . ?
C25B B2B O5 C2 172.5(6) . . . . ?
C6B B2B O5 B2E -85(5) . . . . ?
C7B B2B O5 B2E 152(6) . . . . ?
C25B B2B O5 B2E 21(5) . . . . ?
O5 C2 O6 K1B -175.6(3) . . . . ?
O4 C2 O6 K1B 4.9(6) . . . . ?
C12S C7S C8S C9S 0.0 . . . . ?
K1B C7S C8S C9S 91.1(7) . . . . ?
C7S C8S C9S C10S 0.0 . . . . ?
C8S C9S C10S C11S 0.0 . . . . ?
C9S C10S C11S C12S 0.0 . . . . ?
C10S C11S C12S C7S 0.0 . . . . ?
C8S C7S C12S C11S 0.0 . . . . ?
K1B C7S C12S C11S -114.6(6) . . . . ?
C12T C7T C8T C9T 0.0 . . . . ?
K1B C7T C8T C9T 115.2(13) . . . . ?
C7T C8T C9T C10T 0.0 . . . . ?
C8T C9T C10T C11T 0.0 . . . . ?
C9T C10T C11T C12T 0.0 . . . . ?
C10T C11T C12T C7T 0.0 . . . . ?
C8T C7T C12T C11T 0.0 . . . . ?
K1B C7T C12T C11T -105.8(12) . . . . ?
C12D O1D C1D C2D -166.7(4) . . . . ?
K1B O1D C1D C2D 67.9(4) . . . . ?
O1D C1D C2D O2D -67.1(6) . . . . ?
C1D C2D O2D C3D 172.8(5) . . . . ?
C1D C2D O2D K1B 27.1(6) . . . . ?
C2D O2D C3D C4D 173.5(5) . . . . ?
K1B O2D C3D C4D -39.4(5) . . . . ?
O2D C3D C4D O3D 67.5(6) . . . . ?
C3D C4D O3D C5D -178.6(5) . . . . ?
C3D C4D O3D K1B -59.3(5) . . . . ?
C4D O3D C5D C6D 177.9(5) . . . . ?
K1B O3D C5D C6D 58.6(5) . . . . ?
O3D C5D C6D O4D -64.9(6) . . . . ?
C5D C6D O4D C7D -173.4(4) . . . . ?
C5D C6D O4D K1B 36.8(5) . . . . ?
C6D O4D C7D C8D -179.2(4) . . . . ?
K1B O4D C7D C8D -30.1(6) . . . . ?
O4D C7D C8D O5D 67.2(6) . . . . ?
C7D C8D O5D C9D 176.5(4) . . . . ?
C7D C8D O5D K1B -66.1(5) . . . . ?
C8D O5D C9D C10D -178.7(4) . . . . ?
K1B O5D C9D C10D 67.1(4) . . . . ?
O5D C9D C10D O6D -67.4(5) . . . . ?
C9D C10D O6D C11D -177.4(4) . . . . ?
C9D C10D O6D K1B 32.6(5) . . . . ?
C10D O6D C11D C12D 167.8(4) . . . . ?
K1B O6D C11D C12D -43.0(5) . . . . ?
C1D O1D C12D C11D -172.0(4) . . . . ?
K1B O1D C12D C11D -54.2(5) . . . . ?
O6D C11D C12D O1D 62.4(6) . . . . ?

_refine_diff_density_max         2.966
_refine_diff_density_min         -1.520
_refine_diff_density_rms         0.105

_shelxl_version_number           2013-4

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# 
# 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_hh241JT120_0m
_database_code_depnum_ccdc_archive 'CCDC 1921506'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H65 Au B2 O P2 Si'
_chemical_formula_weight         930.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

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                   20.6988(5)
_cell_length_b                   22.0547(5)
_cell_length_c                   19.2806(5)
_cell_angle_alpha                90
_cell_angle_beta                 92.3184(5)
_cell_angle_gamma                90
_cell_volume                     8794.5(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    9415
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      31.34

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_F_000             3808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.406
_exptl_crystal_size_mid          0.278
_exptl_crystal_size_min          0.182
_exptl_absorpt_coefficient_mu    3.478
_shelx_estimated_absorpt_T_min   0.333
_shelx_estimated_absorpt_T_max   0.570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4623
_exptl_absorpt_correction_T_max  0.5650
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            198681
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.690
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             24666
_reflns_number_gt                21599
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
  
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0211P)²+6.6393P] 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         24666
_refine_ls_number_parameters     1065
_refine_ls_number_restraints     381
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0222
_refine_ls_wR_factor_ref         0.0519
_refine_ls_wR_factor_gt          0.0498
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.006
_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_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 0.12894(2) 0.65595(2) 0.87319(2) 0.02480(2) Uani 1 1 d . . . . .
C1 C -0.04358(9) 0.70823(9) 0.76118(10) 0.0282(4) Uani 1 1 d . . . . .
H1 H -0.0858 0.6993 0.7760 0.034 Uiso 1 1 calc R U . . .
C2 C -0.03080(10) 0.76618(9) 0.73660(10) 0.0316(4) Uani 1 1 d . . . . .
H2 H -0.0641 0.7959 0.7348 0.038 Uiso 1 1 calc R U . . .
C3 C 0.03039(10) 0.78070(9) 0.71475(10) 0.0308(4) Uani 1 1 d . . . . .
H3 H 0.0394 0.8203 0.6985 0.037 Uiso 1 1 calc R U . . .
C4 C 0.07787(9) 0.73683(9) 0.71700(10) 0.0281(4) Uani 1 1 d . . . . .
H4 H 0.1197 0.7466 0.7018 0.034 Uiso 1 1 calc R U . . .
C4A C 0.06565(8) 0.67747(8) 0.74146(9) 0.0222(3) Uani 1 1 d . . . . .
C5 C 0.15782(9) 0.51974(8) 0.76942(9) 0.0257(4) Uani 1 1 d . . . . .
H5 H 0.1972 0.5290 0.7481 0.031 Uiso 1 1 calc R U . . .
C6 C 0.15026(10) 0.46344(9) 0.79889(10) 0.0302(4) Uani 1 1 d . . . . .
H6 H 0.1842 0.4344 0.7986 0.036 Uiso 1 1 calc R U . . .
C7 C 0.09220(10) 0.44984(9) 0.82902(10) 0.0329(4) Uani 1 1 d . . . . .
H7 H 0.0864 0.4112 0.8497 0.039 Uiso 1 1 calc R U . . .
C8 C 0.04254(9) 0.49201(9) 0.82923(10) 0.0294(4) Uani 1 1 d . . . . .
H8 H 0.0032 0.4815 0.8498 0.035 Uiso 1 1 calc R U . . .
C8A C 0.04873(8) 0.54992(8) 0.79984(8) 0.0211(3) Uani 1 1 d . . . . .
B9 B -0.01464(9) 0.59404(9) 0.79057(10) 0.0213(4) Uani 1 1 d . . . . .
C9A C 0.00369(8) 0.66246(8) 0.76486(8) 0.0211(3) Uani 1 1 d . . . . .
B10 B 0.12006(9) 0.62839(9) 0.74105(10) 0.0225(4) Uani 1 1 d . . . . .
C10A C 0.10849(8) 0.56406(8) 0.77014(8) 0.0208(3) Uani 1 1 d . . . . .
P1B P 0.03937(2) 0.66162(2) 0.94320(2) 0.02303(9) Uani 1 1 d . . . . .
C1B C -0.03290(9) 0.61440(8) 0.92943(9) 0.0251(3) Uani 1 1 d . . . . .
C2B C -0.05507(8) 0.59405(8) 0.86304(9) 0.0236(3) Uani 1 1 d . . . . .
C3B C -0.11660(9) 0.56672(9) 0.86030(10) 0.0307(4) Uani 1 1 d . . . . .
H3B H -0.1341 0.5538 0.8165 0.037 Uiso 1 1 calc R U . . .
C4B C -0.15320(10) 0.55769(10) 0.91841(11) 0.0360(5) Uani 1 1 d . . . . .
H4B H -0.1948 0.5396 0.9135 0.043 Uiso 1 1 calc R U . . .
C5B C -0.12897(10) 0.57494(10) 0.98296(11) 0.0373(5) Uani 1 1 d . . . . .
H5B H -0.1526 0.5674 1.0233 0.045 Uiso 1 1 calc R U . . .
C6B C -0.06960(10) 0.60347(10) 0.98800(10) 0.0335(4) Uani 1 1 d . . . . .
H6B H -0.0530 0.6161 1.0323 0.040 Uiso 1 1 calc R U . . .
C7B C 0.06902(10) 0.64663(10) 1.03329(9) 0.0334(4) Uani 1 1 d . . . . .
H7B H 0.0330 0.6546 1.0650 0.040 Uiso 1 1 calc R U . . .
C8B C 0.12585(12) 0.68788(13) 1.05453(12) 0.0484(6) Uani 1 1 d . . . . .
H8A H 0.1421 0.6771 1.1014 0.073 Uiso 1 1 calc R U . . .
H8B H 0.1114 0.7302 1.0540 0.073 Uiso 1 1 calc R U . . .
H8C H 0.1605 0.6828 1.0218 0.073 Uiso 1 1 calc R U . . .
C9B C 0.08830(12) 0.57994(11) 1.04016(12) 0.0459(6) Uani 1 1 d . . . . .
H9A H 0.1230 0.5711 1.0085 0.069 Uiso 1 1 calc R U . . .
H9B H 0.0508 0.5543 1.0284 0.069 Uiso 1 1 calc R U . . .
H9C H 0.1035 0.5717 1.0880 0.069 Uiso 1 1 calc R U . . .
C10B C 0.00350(10) 0.73879(9) 0.93991(11) 0.0325(4) Uani 1 1 d . . . . .
H10B H -0.0286 0.7383 0.8997 0.039 Uiso 1 1 calc R U . . .
C11B C -0.03537(12) 0.75425(11) 1.00345(13) 0.0472(6) Uani 1 1 d . . . . .
H11A H -0.0060 0.7574 1.0445 0.071 Uiso 1 1 calc R U . . .
H11B H -0.0672 0.7222 1.0108 0.071 Uiso 1 1 calc R U . . .
H11C H -0.0578 0.7930 0.9958 0.071 Uiso 1 1 calc R U . . .
C12B C 0.05161(13) 0.78852(10) 0.92368(14) 0.0477(6) Uani 1 1 d . . . . .
H12A H 0.0287 0.8272 0.9181 0.072 Uiso 1 1 calc R U . . .
H12B H 0.0729 0.7786 0.8807 0.072 Uiso 1 1 calc R U . . .
H12C H 0.0841 0.7918 0.9619 0.072 Uiso 1 1 calc R U . . .
O1B O -0.05677(6) 0.56441(6) 0.73605(6) 0.0288(3) Uani 1 1 d . . . . .
Si1B Si -0.08469(2) 0.54723(2) 0.66014(3) 0.02534(10) Uani 1 1 d . . . . .
C13B C -0.13400(10) 0.61442(10) 0.62686(10) 0.0334(4) Uani 1 1 d . . . . .
H13B H -0.1043 0.6502 0.6300 0.040 Uiso 1 1 calc R U . . .
C14B C -0.15892(13) 0.61131(13) 0.55137(12) 0.0506(6) Uani 1 1 d . . . . .
H14A H -0.1920 0.5796 0.5464 0.076 Uiso 1 1 calc R U . . .
H14B H -0.1230 0.6018 0.5216 0.076 Uiso 1 1 calc R U . . .
H14C H -0.1778 0.6505 0.5376 0.076 Uiso 1 1 calc R U . . .
C15B C -0.18955(11) 0.62890(12) 0.67370(13) 0.0464(6) Uani 1 1 d . . . . .
H15A H -0.2093 0.6676 0.6595 0.070 Uiso 1 1 calc R U . . .
H15B H -0.1730 0.6319 0.7219 0.070 Uiso 1 1 calc R U . . .
H15C H -0.2220 0.5966 0.6698 0.070 Uiso 1 1 calc R U . . .
C16B C -0.02057(10) 0.53065(9) 0.59576(10) 0.0326(4) Uani 1 1 d . . . . .
H16B H -0.0437 0.5183 0.5514 0.039 Uiso 1 1 calc R U . . .
C17B C 0.01950(12) 0.58644(12) 0.57951(13) 0.0467(6) Uani 1 1 d . . . . .
H17A H 0.0416 0.6011 0.6222 0.070 Uiso 1 1 calc R U . . .
H17B H -0.0089 0.6183 0.5603 0.070 Uiso 1 1 calc R U . . .
H17C H 0.0516 0.5758 0.5456 0.070 Uiso 1 1 calc R U . . .
C18B C 0.02458(12) 0.47799(12) 0.61744(12) 0.0471(6) Uani 1 1 d . . . . .
H18A H 0.0571 0.4725 0.5825 0.071 Uiso 1 1 calc R U . . .
H18B H -0.0008 0.4407 0.6213 0.071 Uiso 1 1 calc R U . . .
H18C H 0.0461 0.4872 0.6624 0.071 Uiso 1 1 calc R U . . .
C19B C -0.13838(11) 0.47790(11) 0.66734(13) 0.0433(5) Uani 1 1 d . . . . .
H19B H -0.1804 0.4926 0.6850 0.052 Uiso 1 1 calc R U . . .
C20B C -0.11189(13) 0.43104(11) 0.72011(14) 0.0531(6) Uani 1 1 d . . . . .
H20A H -0.1440 0.3990 0.7257 0.080 Uiso 1 1 calc R U . . .
H20B H -0.1027 0.4509 0.7649 0.080 Uiso 1 1 calc R U . . .
H20C H -0.0720 0.4133 0.7034 0.080 Uiso 1 1 calc R U . . .
C21B C -0.15444(16) 0.44659(13) 0.59735(16) 0.0666(9) Uani 1 1 d . . . . .
H21A H -0.1148 0.4299 0.5788 0.100 Uiso 1 1 calc R U . . .
H21B H -0.1733 0.4762 0.5645 0.100 Uiso 1 1 calc R U . . .
H21C H -0.1854 0.4137 0.6042 0.100 Uiso 1 1 calc R U . . .
P1C P 0.23453(2) 0.66562(2) 0.83863(3) 0.02774(10) Uani 1 1 d . . . . .
C1C C 0.23914(9) 0.66781(8) 0.74477(10) 0.0262(4) Uani 1 1 d . . . . .
C2C C 0.18566(9) 0.64575(8) 0.70596(10) 0.0256(4) Uani 1 1 d . . . . .
C3C C 0.19006(10) 0.64370(11) 0.63367(11) 0.0374(5) Uani 1 1 d . . . . .
H3C H 0.1548 0.6279 0.6062 0.045 Uiso 1 1 calc R U . . .
C4C C 0.24466(11) 0.66415(11) 0.60118(12) 0.0422(5) Uani 1 1 d . . . . .
H4C H 0.2467 0.6618 0.5521 0.051 Uiso 1 1 calc R U . . .
C5C C 0.29604(11) 0.68799(10) 0.64039(12) 0.0413(5) Uani 1 1 d . . . . .
H5C H 0.3329 0.7031 0.6182 0.050 Uiso 1 1 calc R U . . .
C6C C 0.29371(10) 0.68974(9) 0.71161(12) 0.0354(4) Uani 1 1 d . . . . .
H6C H 0.3292 0.7058 0.7385 0.042 Uiso 1 1 calc R U . . .
C7C C 0.28498(10) 0.59906(11) 0.86451(12) 0.0385(5) Uani 1 1 d . . . . .
H7C H 0.2760 0.5678 0.8279 0.046 Uiso 1 1 calc R U . . .
C8C C 0.26517(13) 0.57050(14) 0.93183(14) 0.0587(7) Uani 1 1 d . . . . .
H8D H 0.2909 0.5338 0.9410 0.088 Uiso 1 1 calc R U . . .
H8E H 0.2192 0.5598 0.9281 0.088 Uiso 1 1 calc R U . . .
H8F H 0.2726 0.5994 0.9700 0.088 Uiso 1 1 calc R U . . .
C9C C 0.35789(11) 0.61178(13) 0.86331(14) 0.0524(6) Uani 1 1 d . . . . .
H9D H 0.3698 0.6418 0.8990 0.079 Uiso 1 1 calc R U . . .
H9E H 0.3685 0.6275 0.8176 0.079 Uiso 1 1 calc R U . . .
H9F H 0.3819 0.5741 0.8726 0.079 Uiso 1 1 calc R U . . .
C10C C 0.27485(11) 0.73557(11) 0.86929(13) 0.0466(6) Uani 1 1 d . . . . .
H10C H 0.3193 0.7362 0.8507 0.056 Uiso 1 1 calc R U . . .
C11C C 0.28152(16) 0.73793(16) 0.94826(15) 0.0777(11) Uani 1 1 d . . . . .
H11D H 0.3072 0.7735 0.9625 0.117 Uiso 1 1 calc R U . . .
H11E H 0.3031 0.7011 0.9656 0.117 Uiso 1 1 calc R U . . .
H11F H 0.2385 0.7408 0.9675 0.117 Uiso 1 1 calc R U . . .
C12C C 0.23780(14) 0.79020(12) 0.8396(2) 0.0743(10) Uani 1 1 d . . . . .
H12D H 0.1944 0.7910 0.8580 0.111 Uiso 1 1 calc R U . . .
H12E H 0.2344 0.7871 0.7889 0.111 Uiso 1 1 calc R U . . .
H12F H 0.2608 0.8275 0.8529 0.111 Uiso 1 1 calc R U . . .
Au2 Au 0.62895(2) 0.67319(2) 0.36733(2) 0.02889(2) Uani 1 1 d . . . . .
C11 C 0.45848(10) 0.72221(10) 0.26246(12) 0.0377(5) Uani 1 1 d . . . . .
H11 H 0.4171 0.7162 0.2809 0.045 Uiso 1 1 calc R U . . .
C12 C 0.47216(10) 0.77744(11) 0.23211(13) 0.0431(5) Uani 1 1 d . . . . .
H12 H 0.4407 0.8089 0.2310 0.052 Uiso 1 1 calc R U . . .
C13 C 0.53187(11) 0.78697(11) 0.20319(13) 0.0434(5) Uani 1 1 d . . . . .
H13 H 0.5412 0.8246 0.1817 0.052 Uiso 1 1 calc R U . . .
C14 C 0.57728(10) 0.74136(10) 0.20605(11) 0.0366(5) Uani 1 1 d . . . . .
H14 H 0.6180 0.7479 0.1863 0.044 Uiso 1 1 calc R U . . .
C14A C 0.56462(9) 0.68497(9) 0.23782(10) 0.0281(4) Uani 1 1 d . . . . .
C15 C 0.64824(10) 0.52377(9) 0.27056(10) 0.0322(4) Uani 1 1 d . . . . .
H15 H 0.6879 0.5306 0.2488 0.039 Uiso 1 1 calc R U . . .
C16 C 0.63730(11) 0.46821(10) 0.30052(11) 0.0372(5) Uani 1 1 d . . . . .
H16 H 0.6691 0.4372 0.2997 0.045 Uiso 1 1 calc R U . . .
C17 C 0.57899(12) 0.45830(10) 0.33201(11) 0.0397(5) Uani 1 1 d . . . . .
H17 H 0.5709 0.4202 0.3530 0.048 Uiso 1 1 calc R U . . .
C18 C 0.53255(10) 0.50349(10) 0.33299(11) 0.0359(4) Uani 1 1 d . . . . .
H18 H 0.4931 0.4957 0.3549 0.043 Uiso 1 1 calc R U . . .
C18A C 0.54195(9) 0.56063(9) 0.30256(9) 0.0269(4) Uani 1 1 d . . . . .
B19 B 0.48186(10) 0.60885(11) 0.29679(11) 0.0283(4) Uani 1 1 d . . . . .
C19A C 0.50379(9) 0.67469(9) 0.26689(9) 0.0274(4) Uani 1 1 d . . . . .
B20 B 0.61706(10) 0.63374(10) 0.23990(10) 0.0265(4) Uani 1 1 d . . . . .
C20A C 0.60189(9) 0.57083(8) 0.27143(9) 0.0254(3) Uani 1 1 d . . . . .
P1E P 0.55141(2) 0.66803(2) 0.45107(2) 0.02835(10) Uani 1 1 d D . . . .
C1E C 0.47127(9) 0.63456(9) 0.43625(10) 0.0311(4) Uani 1 1 d . . . . .
C2E C 0.44574(9) 0.61351(9) 0.37185(10) 0.0296(4) Uani 1 1 d . . . . .
C3E C 0.38214(10) 0.59063(11) 0.37324(12) 0.0377(5) Uani 1 1 d . . . . .
H3E H 0.3621 0.5770 0.3309 0.045 Uiso 1 1 calc R U . . .
C4E C 0.34714(10) 0.58695(11) 0.43298(12) 0.0429(5) Uani 1 1 d . . . . .
H4E H 0.3046 0.5706 0.4308 0.051 Uiso 1 1 calc R U . . .
C5E C 0.37372(11) 0.60677(12) 0.49505(12) 0.0466(6) Uani 1 1 d . . . . .
H5E H 0.3505 0.6036 0.5364 0.056 Uiso 1 1 calc R U . . .
C6E C 0.43503(11) 0.63144(12) 0.49636(11) 0.0433(5) Uani 1 1 d . . . . .
H6E H 0.4532 0.6467 0.5389 0.052 Uiso 1 1 calc R U . . .
C7E C 0.58584(11) 0.62379(12) 0.52555(11) 0.0420(5) Uani 1 1 d . . . . .
H7E H 0.5557 0.6278 0.5645 0.050 Uiso 1 1 calc R U . . .
C8E C 0.58830(16) 0.55726(13) 0.50578(16) 0.0652(8) Uani 1 1 d . . . . .
H8G H 0.6166 0.5521 0.4667 0.098 Uiso 1 1 calc R U . . .
H8H H 0.5447 0.5431 0.4924 0.098 Uiso 1 1 calc R U . . .
H8I H 0.6053 0.5336 0.5455 0.098 Uiso 1 1 calc R U . . .
C9E C 0.65207(15) 0.64565(17) 0.55188(16) 0.0726(9) Uani 1 1 d . . . . .
H9G H 0.6669 0.6208 0.5915 0.109 Uiso 1 1 calc R U . . .
H9H H 0.6492 0.6881 0.5664 0.109 Uiso 1 1 calc R U . . .
H9I H 0.6828 0.6421 0.5147 0.109 Uiso 1 1 calc R U . . .
C10E C 0.5336(2) 0.74473(17) 0.4837(2) 0.0428(12) Uani 0.788(5) 1 d D U P A 1
H10E H 0.5102 0.7396 0.5277 0.051 Uiso 0.788(5) 1 calc R U P A 1
C11E C 0.4876(3) 0.7764(3) 0.4321(3) 0.099(2) Uani 0.788(5) 1 d D U P A 1
H11G H 0.4774 0.8169 0.4494 0.148 Uiso 0.788(5) 1 calc R U P A 1
H11H H 0.4477 0.7527 0.4262 0.148 Uiso 0.788(5) 1 calc R U P A 1
H11I H 0.5080 0.7800 0.3873 0.148 Uiso 0.788(5) 1 calc R U P A 1
C12E C 0.59201(17) 0.78308(15) 0.50039(19) 0.0573(10) Uani 0.788(5) 1 d D U P A
1
H12G H 0.6164 0.7887 0.4584 0.086 Uiso 0.788(5) 1 calc R U P A 1
H12H H 0.6195 0.7629 0.5360 0.086 Uiso 0.788(5) 1 calc R U P A 1
H12I H 0.5783 0.8226 0.5177 0.086 Uiso 0.788(5) 1 calc R U P A 1
C10D C 0.5358(12) 0.7481(5) 0.4742(9) 0.074(7) Uani 0.212(5) 1 d D U P A 2
H10D H 0.5793 0.7660 0.4862 0.089 Uiso 0.212(5) 1 calc R U P A 2
C11D C 0.4958(9) 0.7598(7) 0.5363(8) 0.099(2) Uani 0.212(5) 1 d D U P A 2
H11J H 0.5021 0.8018 0.5518 0.148 Uiso 0.212(5) 1 calc R U P A 2
H11K H 0.5093 0.7321 0.5739 0.148 Uiso 0.212(5) 1 calc R U P A 2
H11L H 0.4501 0.7531 0.5236 0.148 Uiso 0.212(5) 1 calc R U P A 2
C12D C 0.5098(8) 0.7835(7) 0.4118(7) 0.038(3) Uani 0.212(5) 1 d D U P A 2
H12J H 0.4707 0.7636 0.3926 0.057 Uiso 0.212(5) 1 calc R U P A 2
H12K H 0.5425 0.7848 0.3765 0.057 Uiso 0.212(5) 1 calc R U P A 2
H12L H 0.4993 0.8249 0.4261 0.057 Uiso 0.212(5) 1 calc R U P A 2
O1E O 0.43239(7) 0.58442(7) 0.24554(7) 0.0384(3) Uani 1 1 d . U . . .
Si1E Si 0.40794(3) 0.55398(3) 0.17424(3) 0.03866(13) Uani 1 1 d D U . . .
C13E C 0.32640(17) 0.5834(2) 0.1445(2) 0.0684(13) Uani 0.735(3) 1 d D U P B 1
H13E H 0.3165 0.5674 0.0967 0.082 Uiso 0.735(3) 1 calc R U P B 1
C14E C 0.2739(2) 0.5628(2) 0.1900(3) 0.0884(12) Uani 0.735(3) 1 d D U P B 1
H14D H 0.2804 0.5809 0.2361 0.133 Uiso 0.735(3) 1 calc R U P B 1
H14E H 0.2750 0.5185 0.1939 0.133 Uiso 0.735(3) 1 calc R U P B 1
H14F H 0.2319 0.5755 0.1697 0.133 Uiso 0.735(3) 1 calc R U P B 1
C15E C 0.3289(2) 0.6527(2) 0.1401(3) 0.0884(12) Uani 0.735(3) 1 d D U P B 1
H15D H 0.2895 0.6677 0.1159 0.133 Uiso 0.735(3) 1 calc R U P B 1
H15E H 0.3667 0.6650 0.1146 0.133 Uiso 0.735(3) 1 calc R U P B 1
H15F H 0.3321 0.6698 0.1871 0.133 Uiso 0.735(3) 1 calc R U P B 1
C16E C 0.4667(2) 0.5739(2) 0.10397(17) 0.0625(12) Uani 0.735(3) 1 d D U P B 1
H16E H 0.4815 0.6162 0.1147 0.075 Uiso 0.735(3) 1 calc R U P B 1
C17E C 0.5285(2) 0.5356(3) 0.1036(3) 0.0882(19) Uani 0.735(3) 1 d D U P B 1
H17D H 0.5172 0.4932 0.0940 0.132 Uiso 0.735(3) 1 calc R U P B 1
H17E H 0.5514 0.5385 0.1490 0.132 Uiso 0.735(3) 1 calc R U P B 1
H17F H 0.5564 0.5507 0.0675 0.132 Uiso 0.735(3) 1 calc R U P B 1
C18E C 0.4398(2) 0.5758(2) 0.0289(2) 0.0816(15) Uani 0.735(3) 1 d D U P B 1
H18D H 0.4751 0.5836 -0.0023 0.122 Uiso 0.735(3) 1 calc R U P B 1
H18E H 0.4076 0.6081 0.0239 0.122 Uiso 0.735(3) 1 calc R U P B 1
H18F H 0.4196 0.5368 0.0170 0.122 Uiso 0.735(3) 1 calc R U P B 1
C19E C 0.4104(3) 0.46916(14) 0.1877(2) 0.0541(12) Uani 0.735(3) 1 d D U P B 1
H19E H 0.4571 0.4587 0.1960 0.065 Uiso 0.735(3) 1 calc R U P B 1
C20E C 0.3885(4) 0.4353(3) 0.1205(3) 0.089(2) Uani 0.735(3) 1 d D U P B 1
H20D H 0.3975 0.3919 0.1260 0.133 Uiso 0.735(3) 1 calc R U P B 1
H20E H 0.4121 0.4512 0.0814 0.133 Uiso 0.735(3) 1 calc R U P B 1
H20F H 0.3420 0.4414 0.1117 0.133 Uiso 0.735(3) 1 calc R U P B 1
C21E C 0.3765(2) 0.44699(16) 0.25094(19) 0.0600(11) Uani 0.735(3) 1 d D U P B 1
H21D H 0.3298 0.4529 0.2439 0.090 Uiso 0.735(3) 1 calc R U P B 1
H21E H 0.3921 0.4699 0.2918 0.090 Uiso 0.735(3) 1 calc R U P B 1
H21F H 0.3857 0.4038 0.2580 0.090 Uiso 0.735(3) 1 calc R U P B 1
C13D C 0.3193(2) 0.5737(6) 0.1821(9) 0.098(4) Uani 0.265(3) 1 d D U P B 2
H13D H 0.3108 0.5554 0.2283 0.117 Uiso 0.265(3) 1 calc R U P B 2
C14D C 0.2955(5) 0.6385(4) 0.1932(6) 0.058(3) Uani 0.265(3) 1 d D U P B 2
H14G H 0.2579 0.6465 0.1621 0.087 Uiso 0.265(3) 1 calc R U P B 2
H14H H 0.3301 0.6672 0.1833 0.087 Uiso 0.265(3) 1 calc R U P B 2
H14I H 0.2833 0.6434 0.2415 0.087 Uiso 0.265(3) 1 calc R U P B 2
C15D C 0.2693(5) 0.5403(5) 0.1360(8) 0.098(4) Uani 0.265(3) 1 d D U P B 2
H15G H 0.2303 0.5653 0.1299 0.146 Uiso 0.265(3) 1 calc R U P B 2
H15H H 0.2581 0.5018 0.1578 0.146 Uiso 0.265(3) 1 calc R U P B 2
H15I H 0.2872 0.5324 0.0906 0.146 Uiso 0.265(3) 1 calc R U P B 2
C16D C 0.4332(5) 0.5868(5) 0.0893(3) 0.067(3) Uani 0.265(3) 1 d D U P B 2
H16D H 0.4116 0.5650 0.0493 0.081 Uiso 0.265(3) 1 calc R U P B 2
C17D C 0.4212(5) 0.6543(4) 0.0838(6) 0.069(3) Uani 0.265(3) 1 d D U P B 2
H17G H 0.4411 0.6747 0.1245 0.104 Uiso 0.265(3) 1 calc R U P B 2
H17H H 0.3745 0.6620 0.0819 0.104 Uiso 0.265(3) 1 calc R U P B 2
H17I H 0.4401 0.6699 0.0416 0.104 Uiso 0.265(3) 1 calc R U P B 2
C18D C 0.5052(6) 0.5756(6) 0.0917(8) 0.073(4) Uani 0.265(3) 1 d D U P B 2
H18G H 0.5224 0.5847 0.0462 0.109 Uiso 0.265(3) 1 calc R U P B 2
H18H H 0.5137 0.5330 0.1033 0.109 Uiso 0.265(3) 1 calc R U P B 2
H18I H 0.5262 0.6017 0.1270 0.109 Uiso 0.265(3) 1 calc R U P B 2
C19D C 0.4014(6) 0.4693(2) 0.1602(6) 0.052(3) Uani 0.265(3) 1 d D U P B 2
H19D H 0.3717 0.4555 0.1966 0.062 Uiso 0.265(3) 1 calc R U P B 2
C20D C 0.4638(7) 0.4337(6) 0.1763(8) 0.098(5) Uani 0.265(3) 1 d D U P B 2
H20G H 0.4946 0.4415 0.1400 0.147 Uiso 0.265(3) 1 calc R U P B 2
H20H H 0.4540 0.3903 0.1779 0.147 Uiso 0.265(3) 1 calc R U P B 2
H20I H 0.4827 0.4467 0.2213 0.147 Uiso 0.265(3) 1 calc R U P B 2
C21D C 0.3689(10) 0.4458(8) 0.0913(8) 0.078(5) Uani 0.265(3) 1 d D U P B 2
H21G H 0.3978 0.4529 0.0530 0.117 Uiso 0.265(3) 1 calc R U P B 2
H21H H 0.3281 0.4674 0.0821 0.117 Uiso 0.265(3) 1 calc R U P B 2
H21I H 0.3603 0.4022 0.0952 0.117 Uiso 0.265(3) 1 calc R U P B 2
P1F P 0.73095(2) 0.69110(2) 0.32725(3) 0.02792(10) Uani 1 1 d . . . . .
C1F C 0.73558(9) 0.67648(8) 0.23493(9) 0.0261(4) Uani 1 1 d . . . . .
C2F C 0.68272(9) 0.64631(9) 0.20250(9) 0.0271(4) Uani 1 1 d . . . . .
C3F C 0.68777(10) 0.63157(11) 0.13212(10) 0.0379(5) Uani 1 1 d . . . . .
H3F H 0.6539 0.6093 0.1092 0.045 Uiso 1 1 calc R U . . .
C4F C 0.74103(11) 0.64860(12) 0.09501(11) 0.0422(5) Uani 1 1 d . . . . .
H4F H 0.7431 0.6379 0.0474 0.051 Uiso 1 1 calc R U . . .
C5F C 0.79080(10) 0.68096(10) 0.12699(11) 0.0394(5) Uani 1 1 d . . . . .
H5F H 0.8264 0.6939 0.1011 0.047 Uiso 1 1 calc R U . . .
C6F C 0.78869(10) 0.69450(9) 0.19690(11) 0.0336(4) Uani 1 1 d . . . . .
H6F H 0.8233 0.7161 0.2193 0.040 Uiso 1 1 calc R U . . .
C7F C 0.79091(10) 0.64440(10) 0.37558(10) 0.0332(4) Uani 1 1 d . . . . .
H7F H 0.7897 0.6575 0.4252 0.040 Uiso 1 1 calc R U . . .
C8F C 0.77301(11) 0.57727(10) 0.37433(12) 0.0387(5) Uani 1 1 d . . . . .
H8J H 0.7758 0.5616 0.3270 0.058 Uiso 1 1 calc R U . . .
H8K H 0.7288 0.5723 0.3897 0.058 Uiso 1 1 calc R U . . .
H8L H 0.8029 0.5548 0.4055 0.058 Uiso 1 1 calc R U . . .
C9F C 0.86070(10) 0.65360(11) 0.35408(13) 0.0429(5) Uani 1 1 d . . . . .
H9J H 0.8903 0.6331 0.3874 0.064 Uiso 1 1 calc R U . . .
H9K H 0.8706 0.6970 0.3534 0.064 Uiso 1 1 calc R U . . .
H9L H 0.8658 0.6366 0.3077 0.064 Uiso 1 1 calc R U . . .
C10F C 0.75907(12) 0.76967(10) 0.34077(12) 0.0424(5) Uani 1 1 d . . . . .
H10F H 0.8012 0.7743 0.3177 0.051 Uiso 1 1 calc R U . . .
C11F C 0.71104(13) 0.81361(11) 0.30643(16) 0.0556(7) Uani 1 1 d . . . . .
H11M H 0.6692 0.8098 0.3281 0.083 Uiso 1 1 calc R U . . .
H11N H 0.7059 0.8042 0.2568 0.083 Uiso 1 1 calc R U . . .
H11O H 0.7271 0.8552 0.3123 0.083 Uiso 1 1 calc R U . . .
C12F C 0.77065(16) 0.78381(13) 0.41810(15) 0.0651(8) Uani 1 1 d . . . . .
H12M H 0.7812 0.8269 0.4239 0.098 Uiso 1 1 calc R U . . .
H12N H 0.8067 0.7592 0.4369 0.098 Uiso 1 1 calc R U . . .
H12O H 0.7315 0.7744 0.4430 0.098 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 P1C 2.3204(5) . ?
Au1 P1B 2.3403(5) . ?
Au1 B10 2.6185(19) . ?
C1 C2 1.392(3) . ?
C1 C9A 1.406(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.388(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.378(3) . ?
C3 H3 0.9500 . ?
C4 C4A 1.418(2) . ?
C4 H4 0.9500 . ?
C4A C9A 1.416(2) . ?
C4A B10 1.562(3) . ?
C5 C6 1.377(3) . ?
C5 C10A 1.414(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.387(3) . ?
C7 H7 0.9500 . ?
C8 C8A 1.405(2) . ?
C8 H8 0.9500 . ?
C8A C10A 1.419(2) . ?
C8A B9 1.637(3) . ?
B9 O1B 1.489(2) . ?
B9 C9A 1.638(3) . ?
B9 C2B 1.657(2) . ?
B10 C10A 1.548(3) . ?
B10 C2C 1.588(3) . ?
P1B C1B 1.8333(19) . ?
P1B C7B 1.8485(19) . ?
P1B C10B 1.857(2) . ?
C1B C6B 1.407(2) . ?
C1B C2B 1.415(3) . ?
C2B C3B 1.408(3) . ?
C3B C4B 1.392(3) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.376(3) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.380(3) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C7B C9B 1.528(3) . ?
C7B C8B 1.530(3) . ?
C7B H7B 1.0000 . ?
C8B H8A 0.9800 . ?
C8B H8B 0.9800 . ?
C8B H8C 0.9800 . ?
C9B H9A 0.9800 . ?
C9B H9B 0.9800 . ?
C9B H9C 0.9800 . ?
C10B C12B 1.522(3) . ?
C10B C11B 1.531(3) . ?
C10B H10B 1.0000 . ?
C11B H11A 0.9800 . ?
C11B H11B 0.9800 . ?
C11B H11C 0.9800 . ?
C12B H12A 0.9800 . ?
C12B H12B 0.9800 . ?
C12B H12C 0.9800 . ?
O1B Si1B 1.5973(13) . ?
Si1B C16B 1.889(2) . ?
Si1B C13B 1.896(2) . ?
Si1B C19B 1.899(2) . ?
C13B C15B 1.524(3) . ?
C13B C14B 1.526(3) . ?
C13B H13B 1.0000 . ?
C14B H14A 0.9800 . ?
C14B H14B 0.9800 . ?
C14B H14C 0.9800 . ?
C15B H15A 0.9800 . ?
C15B H15B 0.9800 . ?
C15B H15C 0.9800 . ?
C16B C17B 1.523(3) . ?
C16B C18B 1.538(3) . ?
C16B H16B 1.0000 . ?
C17B H17A 0.9800 . ?
C17B H17B 0.9800 . ?
C17B H17C 0.9800 . ?
C18B H18A 0.9800 . ?
C18B H18B 0.9800 . ?
C18B H18C 0.9800 . ?
C19B C20B 1.536(3) . ?
C19B C21B 1.540(4) . ?
C19B H19B 1.0000 . ?
C20B H20A 0.9800 . ?
C20B H20B 0.9800 . ?
C20B H20C 0.9800 . ?
C21B H21A 0.9800 . ?
C21B H21B 0.9800 . ?
C21B H21C 0.9800 . ?
P1C C1C 1.817(2) . ?
P1C C10C 1.840(2) . ?
P1C C7C 1.858(2) . ?
C1C C2C 1.398(3) . ?
C1C C6C 1.406(2) . ?
C2C C3C 1.401(3) . ?
C3C C4C 1.389(3) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.383(3) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.377(3) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
C7C C8C 1.514(3) . ?
C7C C9C 1.536(3) . ?
C7C H7C 1.0000 . ?
C8C H8D 0.9800 . ?
C8C H8E 0.9800 . ?
C8C H8F 0.9800 . ?
C9C H9D 0.9800 . ?
C9C H9E 0.9800 . ?
C9C H9F 0.9800 . ?
C10C C11C 1.524(4) . ?
C10C C12C 1.527(4) . ?
C10C H10C 1.0000 . ?
C11C H11D 0.9800 . ?
C11C H11E 0.9800 . ?
C11C H11F 0.9800 . ?
C12C H12D 0.9800 . ?
C12C H12E 0.9800 . ?
C12C H12F 0.9800 . ?
Au2 P1F 2.3115(5) . ?
Au2 P1E 2.3248(5) . ?
Au2 B20 2.609(2) . ?
C11 C12 1.386(3) . ?
C11 C19A 1.407(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.376(3) . ?
C13 H13 0.9500 . ?
C14 C14A 1.415(3) . ?
C14 H14 0.9500 . ?
C14A C19A 1.417(2) . ?
C14A B20 1.566(3) . ?
C15 C16 1.377(3) . ?
C15 C20A 1.414(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(3) . ?
C17 H17 0.9500 . ?
C18 C18A 1.407(3) . ?
C18 H18 0.9500 . ?
C18A C20A 1.418(2) . ?
C18A B19 1.637(3) . ?
B19 O1E 1.494(3) . ?
B19 C19A 1.633(3) . ?
B19 C2E 1.659(3) . ?
B20 C20A 1.552(3) . ?
B20 C2F 1.588(3) . ?
P1E C1E 1.828(2) . ?
P1E C10E 1.847(3) . ?
P1E C10D 1.853(9) . ?
P1E C7E 1.855(2) . ?
C1E C6E 1.408(3) . ?
C1E C2E 1.408(3) . ?
C2E C3E 1.411(3) . ?
C3E C4E 1.388(3) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.368(4) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.380(3) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C7E C8E 1.518(4) . ?
C7E C9E 1.521(4) . ?
C7E H7E 1.0000 . ?
C8E H8G 0.9800 . ?
C8E H8H 0.9800 . ?
C8E H8I 0.9800 . ?
C9E H9G 0.9800 . ?
C9E H9H 0.9800 . ?
C9E H9I 0.9800 . ?
C10E C12E 1.500(5) . ?
C10E C11E 1.520(5) . ?
C10E H10E 1.0000 . ?
C11E H11G 0.9800 . ?
C11E H11H 0.9800 . ?
C11E H11I 0.9800 . ?
C12E H12G 0.9800 . ?
C12E H12H 0.9800 . ?
C12E H12I 0.9800 . ?
C10D C11D 1.505(9) . ?
C10D C12D 1.514(9) . ?
C10D H10D 1.0000 . ?
C11D H11J 0.9800 . ?
C11D H11K 0.9800 . ?
C11D H11L 0.9800 . ?
C12D H12J 0.9800 . ?
C12D H12K 0.9800 . ?
C12D H12L 0.9800 . ?
O1E Si1E 1.5938(16) . ?
Si1E C13E 1.877(3) . ?
Si1E C16D 1.885(4) . ?
Si1E C19E 1.889(3) . ?
Si1E C19D 1.892(4) . ?
Si1E C13D 1.899(4) . ?
Si1E C16E 1.909(3) . ?
C13E C14E 1.494(6) . ?
C13E C15E 1.532(7) . ?
C13E H13E 1.0000 . ?
C14E H14D 0.9800 . ?
C14E H14E 0.9800 . ?
C14E H14F 0.9800 . ?
C15E H15D 0.9800 . ?
C15E H15E 0.9800 . ?
C15E H15F 0.9800 . ?
C16E C18E 1.530(5) . ?
C16E C17E 1.532(6) . ?
C16E H16E 1.0000 . ?
C17E H17D 0.9800 . ?
C17E H17E 0.9800 . ?
C17E H17F 0.9800 . ?
C18E H18D 0.9800 . ?
C18E H18E 0.9800 . ?
C18E H18F 0.9800 . ?
C19E C21E 1.513(5) . ?
C19E C20E 1.546(5) . ?
C19E H19E 1.0000 . ?
C20E H20D 0.9800 . ?
C20E H20E 0.9800 . ?
C20E H20F 0.9800 . ?
C21E H21D 0.9800 . ?
C21E H21E 0.9800 . ?
C21E H21F 0.9800 . ?
C13D C15D 1.527(9) . ?
C13D C14D 1.530(9) . ?
C13D H13D 1.0000 . ?
C14D H14G 0.9800 . ?
C14D H14H 0.9800 . ?
C14D H14I 0.9800 . ?
C15D H15G 0.9800 . ?
C15D H15H 0.9800 . ?
C15D H15I 0.9800 . ?
C16D C18D 1.510(9) . ?
C16D C17D 1.511(9) . ?
C16D H16D 1.0000 . ?
C17D H17G 0.9800 . ?
C17D H17H 0.9800 . ?
C17D H17I 0.9800 . ?
C18D H18G 0.9800 . ?
C18D H18H 0.9800 . ?
C18D H18I 0.9800 . ?
C19D C20D 1.531(9) . ?
C19D C21D 1.554(9) . ?
C19D H19D 1.0000 . ?
C20D H20G 0.9800 . ?
C20D H20H 0.9800 . ?
C20D H20I 0.9800 . ?
C21D H21G 0.9800 . ?
C21D H21H 0.9800 . ?
C21D H21I 0.9800 . ?
P1F C1F 1.8154(19) . ?
P1F C7F 1.837(2) . ?
P1F C10F 1.843(2) . ?
C1F C6F 1.403(2) . ?
C1F C2F 1.406(3) . ?
C2F C3F 1.403(3) . ?
C3F C4F 1.390(3) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.378(3) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.383(3) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
C7F C8F 1.526(3) . ?
C7F C9F 1.532(3) . ?
C7F H7F 1.0000 . ?
C8F H8J 0.9800 . ?
C8F H8K 0.9800 . ?
C8F H8L 0.9800 . ?
C9F H9J 0.9800 . ?
C9F H9K 0.9800 . ?
C9F H9L 0.9800 . ?
C10F C11F 1.521(4) . ?
C10F C12F 1.532(3) . ?
C10F H10F 1.0000 . ?
C11F H11M 0.9800 . ?
C11F H11N 0.9800 . ?
C11F H11O 0.9800 . ?
C12F H12M 0.9800 . ?
C12F H12N 0.9800 . ?
C12F H12O 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
P1C Au1 P1B 159.725(17) . . ?
P1C Au1 B10 76.81(4) . . ?
P1B Au1 B10 123.20(4) . . ?
C2 C1 C9A 122.34(17) . . ?
C2 C1 H1 118.8 . . ?
C9A C1 H1 118.8 . . ?
C3 C2 C1 120.22(17) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 119.11(18) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C4A 121.48(17) . . ?
C3 C4 H4 119.3 . . ?
C4A C4 H4 119.3 . . ?
C9A C4A C4 119.86(16) . . ?
C9A C4A B10 120.14(15) . . ?
C4 C4A B10 119.99(15) . . ?
C6 C5 C10A 121.68(17) . . ?
C6 C5 H5 119.2 . . ?
C10A C5 H5 119.2 . . ?
C5 C6 C7 118.82(17) . . ?
C5 C6 H6 120.6 . . ?
C7 C6 H6 120.6 . . ?
C8 C7 C6 120.71(18) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C8A 121.93(17) . . ?
C7 C8 H8 119.0 . . ?
C8A C8 H8 119.0 . . ?
C8 C8A C10A 117.25(16) . . ?
C8 C8A B9 119.90(15) . . ?
C10A C8A B9 122.21(15) . . ?
O1B B9 C8A 105.06(14) . . ?
O1B B9 C9A 109.07(14) . . ?
C8A B9 C9A 112.73(14) . . ?
O1B B9 C2B 107.09(14) . . ?
C8A B9 C2B 109.74(13) . . ?
C9A B9 C2B 112.71(14) . . ?
C1 C9A C4A 116.98(16) . . ?
C1 C9A B9 120.51(15) . . ?
C4A C9A B9 122.39(15) . . ?
C10A B10 C4A 120.74(15) . . ?
C10A B10 C2C 121.52(16) . . ?
C4A B10 C2C 117.64(15) . . ?
C10A B10 Au1 82.30(10) . . ?
C4A B10 Au1 81.75(10) . . ?
C2C B10 Au1 109.33(12) . . ?
C5 C10A C8A 119.58(16) . . ?
C5 C10A B10 120.52(15) . . ?
C8A C10A B10 119.87(15) . . ?
C1B P1B C7B 105.80(9) . . ?
C1B P1B C10B 101.13(9) . . ?
C7B P1B C10B 108.25(9) . . ?
C1B P1B Au1 123.16(6) . . ?
C7B P1B Au1 106.97(7) . . ?
C10B P1B Au1 110.75(7) . . ?
C6B C1B C2B 120.38(18) . . ?
C6B C1B P1B 116.42(15) . . ?
C2B C1B P1B 122.95(13) . . ?
C3B C2B C1B 115.42(16) . . ?
C3B C2B B9 117.07(16) . . ?
C1B C2B B9 127.31(16) . . ?
C4B C3B C2B 123.51(19) . . ?
C4B C3B H3B 118.2 . . ?
C2B C3B H3B 118.2 . . ?
C5B C4B C3B 119.86(19) . . ?
C5B C4B H4B 120.1 . . ?
C3B C4B H4B 120.1 . . ?
C4B C5B C6B 118.72(18) . . ?
C4B C5B H5B 120.6 . . ?
C6B C5B H5B 120.6 . . ?
C5B C6B C1B 121.97(19) . . ?
C5B C6B H6B 119.0 . . ?
C1B C6B H6B 119.0 . . ?
C9B C7B C8B 110.72(19) . . ?
C9B C7B P1B 109.22(15) . . ?
C8B C7B P1B 111.57(15) . . ?
C9B C7B H7B 108.4 . . ?
C8B C7B H7B 108.4 . . ?
P1B C7B H7B 108.4 . . ?
C7B C8B H8A 109.5 . . ?
C7B C8B H8B 109.5 . . ?
H8A C8B H8B 109.5 . . ?
C7B C8B H8C 109.5 . . ?
H8A C8B H8C 109.5 . . ?
H8B C8B H8C 109.5 . . ?
C7B C9B H9A 109.5 . . ?
C7B C9B H9B 109.5 . . ?
H9A C9B H9B 109.5 . . ?
C7B C9B H9C 109.5 . . ?
H9A C9B H9C 109.5 . . ?
H9B C9B H9C 109.5 . . ?
C12B C10B C11B 111.92(18) . . ?
C12B C10B P1B 113.79(15) . . ?
C11B C10B P1B 113.52(15) . . ?
C12B C10B H10B 105.6 . . ?
C11B C10B H10B 105.6 . . ?
P1B C10B H10B 105.6 . . ?
C10B C11B H11A 109.5 . . ?
C10B C11B H11B 109.5 . . ?
H11A C11B H11B 109.5 . . ?
C10B C11B H11C 109.5 . . ?
H11A C11B H11C 109.5 . . ?
H11B C11B H11C 109.5 . . ?
C10B C12B H12A 109.5 . . ?
C10B C12B H12B 109.5 . . ?
H12A C12B H12B 109.5 . . ?
C10B C12B H12C 109.5 . . ?
H12A C12B H12C 109.5 . . ?
H12B C12B H12C 109.5 . . ?
B9 O1B Si1B 158.53(12) . . ?
O1B Si1B C16B 114.22(8) . . ?
O1B Si1B C13B 107.14(8) . . ?
C16B Si1B C13B 108.16(9) . . ?
O1B Si1B C19B 108.37(9) . . ?
C16B Si1B C19B 108.72(11) . . ?
C13B Si1B C19B 110.20(10) . . ?
C15B C13B C14B 109.91(18) . . ?
C15B C13B Si1B 111.83(15) . . ?
C14B C13B Si1B 116.37(16) . . ?
C15B C13B H13B 106.0 . . ?
C14B C13B H13B 106.0 . . ?
Si1B C13B H13B 106.0 . . ?
C13B C14B H14A 109.5 . . ?
C13B C14B H14B 109.5 . . ?
H14A C14B H14B 109.5 . . ?
C13B C14B H14C 109.5 . . ?
H14A C14B H14C 109.5 . . ?
H14B C14B H14C 109.5 . . ?
C13B C15B H15A 109.5 . . ?
C13B C15B H15B 109.5 . . ?
H15A C15B H15B 109.5 . . ?
C13B C15B H15C 109.5 . . ?
H15A C15B H15C 109.5 . . ?
H15B C15B H15C 109.5 . . ?
C17B C16B C18B 109.63(19) . . ?
C17B C16B Si1B 112.43(15) . . ?
C18B C16B Si1B 113.76(15) . . ?
C17B C16B H16B 106.9 . . ?
C18B C16B H16B 106.9 . . ?
Si1B C16B H16B 106.9 . . ?
C16B C17B H17A 109.5 . . ?
C16B C17B H17B 109.5 . . ?
H17A C17B H17B 109.5 . . ?
C16B C17B H17C 109.5 . . ?
H17A C17B H17C 109.5 . . ?
H17B C17B H17C 109.5 . . ?
C16B C18B H18A 109.5 . . ?
C16B C18B H18B 109.5 . . ?
H18A C18B H18B 109.5 . . ?
C16B C18B H18C 109.5 . . ?
H18A C18B H18C 109.5 . . ?
H18B C18B H18C 109.5 . . ?
C20B C19B C21B 109.7(2) . . ?
C20B C19B Si1B 113.33(16) . . ?
C21B C19B Si1B 113.78(18) . . ?
C20B C19B H19B 106.5 . . ?
C21B C19B H19B 106.5 . . ?
Si1B C19B H19B 106.5 . . ?
C19B C20B H20A 109.5 . . ?
C19B C20B H20B 109.5 . . ?
H20A C20B H20B 109.5 . . ?
C19B C20B H20C 109.5 . . ?
H20A C20B H20C 109.5 . . ?
H20B C20B H20C 109.5 . . ?
C19B C21B H21A 109.5 . . ?
C19B C21B H21B 109.5 . . ?
H21A C21B H21B 109.5 . . ?
C19B C21B H21C 109.5 . . ?
H21A C21B H21C 109.5 . . ?
H21B C21B H21C 109.5 . . ?
C1C P1C C10C 104.85(10) . . ?
C1C P1C C7C 103.71(9) . . ?
C10C P1C C7C 109.48(11) . . ?
C1C P1C Au1 112.11(6) . . ?
C10C P1C Au1 113.89(8) . . ?
C7C P1C Au1 112.08(7) . . ?
C2C C1C C6C 120.62(18) . . ?
C2C C1C P1C 116.85(13) . . ?
C6C C1C P1C 122.52(16) . . ?
C1C C2C C3C 117.50(17) . . ?
C1C C2C B10 121.86(16) . . ?
C3C C2C B10 120.47(17) . . ?
C4C C3C C2C 121.7(2) . . ?
C4C C3C H3C 119.2 . . ?
C2C C3C H3C 119.2 . . ?
C5C C4C C3C 119.9(2) . . ?
C5C C4C H4C 120.1 . . ?
C3C C4C H4C 120.1 . . ?
C6C C5C C4C 119.91(19) . . ?
C6C C5C H5C 120.0 . . ?
C4C C5C H5C 120.0 . . ?
C5C C6C C1C 120.3(2) . . ?
C5C C6C H6C 119.8 . . ?
C1C C6C H6C 119.8 . . ?
C8C C7C C9C 112.9(2) . . ?
C8C C7C P1C 112.96(16) . . ?
C9C C7C P1C 113.17(17) . . ?
C8C C7C H7C 105.6 . . ?
C9C C7C H7C 105.6 . . ?
P1C C7C H7C 105.6 . . ?
C7C C8C H8D 109.5 . . ?
C7C C8C H8E 109.5 . . ?
H8D C8C H8E 109.5 . . ?
C7C C8C H8F 109.5 . . ?
H8D C8C H8F 109.5 . . ?
H8E C8C H8F 109.5 . . ?
C7C C9C H9D 109.5 . . ?
C7C C9C H9E 109.5 . . ?
H9D C9C H9E 109.5 . . ?
C7C C9C H9F 109.5 . . ?
H9D C9C H9F 109.5 . . ?
H9E C9C H9F 109.5 . . ?
C11C C10C C12C 111.8(2) . . ?
C11C C10C P1C 111.78(19) . . ?
C12C C10C P1C 109.07(17) . . ?
C11C C10C H10C 108.0 . . ?
C12C C10C H10C 108.0 . . ?
P1C C10C H10C 108.0 . . ?
C10C C11C H11D 109.5 . . ?
C10C C11C H11E 109.5 . . ?
H11D C11C H11E 109.5 . . ?
C10C C11C H11F 109.5 . . ?
H11D C11C H11F 109.5 . . ?
H11E C11C H11F 109.5 . . ?
C10C C12C H12D 109.5 . . ?
C10C C12C H12E 109.5 . . ?
H12D C12C H12E 109.5 . . ?
C10C C12C H12F 109.5 . . ?
H12D C12C H12F 109.5 . . ?
H12E C12C H12F 109.5 . . ?
P1F Au2 P1E 154.971(19) . . ?
P1F Au2 B20 78.15(5) . . ?
P1E Au2 B20 126.60(5) . . ?
C12 C11 C19A 122.24(19) . . ?
C12 C11 H11 118.9 . . ?
C19A C11 H11 118.9 . . ?
C11 C12 C13 120.1(2) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C14 C13 C12 119.3(2) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C14A 121.42(19) . . ?
C13 C14 H14 119.3 . . ?
C14A C14 H14 119.3 . . ?
C14 C14A C19A 119.66(17) . . ?
C14 C14A B20 120.31(17) . . ?
C19A C14A B20 120.03(17) . . ?
C16 C15 C20A 121.67(19) . . ?
C16 C15 H15 119.2 . . ?
C20A C15 H15 119.2 . . ?
C15 C16 C17 118.91(19) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C18 C17 C16 120.5(2) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C18A 122.07(19) . . ?
C17 C18 H18 119.0 . . ?
C18A C18 H18 119.0 . . ?
C18 C18A C20A 117.17(18) . . ?
C18 C18A B19 119.52(17) . . ?
C20A C18A B19 122.94(16) . . ?
O1E B19 C19A 106.25(15) . . ?
O1E B19 C18A 108.01(17) . . ?
C19A B19 C18A 112.36(15) . . ?
O1E B19 C2E 106.15(15) . . ?
C19A B19 C2E 113.23(17) . . ?
C18A B19 C2E 110.43(15) . . ?
C11 C19A C14A 117.24(18) . . ?
C11 C19A B19 119.32(17) . . ?
C14A C19A B19 123.08(17) . . ?
C20A B20 C14A 120.27(16) . . ?
C20A B20 C2F 121.61(17) . . ?
C14A B20 C2F 117.86(17) . . ?
C20A B20 Au2 86.68(11) . . ?
C14A B20 Au2 79.77(11) . . ?
C2F B20 Au2 108.63(12) . . ?
C15 C20A C18A 119.62(18) . . ?
C15 C20A B20 120.24(17) . . ?
C18A C20A B20 120.12(16) . . ?
C1E P1E C10E 103.34(16) . . ?
C1E P1E C10D 104.9(8) . . ?
C1E P1E C7E 103.09(10) . . ?
C10E P1E C7E 107.06(17) . . ?
C10D P1E C7E 112.3(6) . . ?
C1E P1E Au2 123.98(6) . . ?
C10E P1E Au2 110.18(15) . . ?
C10D P1E Au2 104.6(6) . . ?
C7E P1E Au2 108.00(7) . . ?
C6E C1E C2E 121.09(19) . . ?
C6E C1E P1E 113.68(17) . . ?
C2E C1E P1E 125.23(14) . . ?
C1E C2E C3E 114.72(17) . . ?
C1E C2E B19 128.56(17) . . ?
C3E C2E B19 116.63(18) . . ?
C4E C3E C2E 123.7(2) . . ?
C4E C3E H3E 118.1 . . ?
C2E C3E H3E 118.1 . . ?
C5E C4E C3E 120.2(2) . . ?
C5E C4E H4E 119.9 . . ?
C3E C4E H4E 119.9 . . ?
C4E C5E C6E 118.6(2) . . ?
C4E C5E H5E 120.7 . . ?
C6E C5E H5E 120.7 . . ?
C5E C6E C1E 121.6(2) . . ?
C5E C6E H6E 119.2 . . ?
C1E C6E H6E 119.2 . . ?
C8E C7E C9E 110.6(2) . . ?
C8E C7E P1E 109.27(17) . . ?
C9E C7E P1E 113.87(19) . . ?
C8E C7E H7E 107.6 . . ?
C9E C7E H7E 107.6 . . ?
P1E C7E H7E 107.6 . . ?
C7E C8E H8G 109.5 . . ?
C7E C8E H8H 109.5 . . ?
H8G C8E H8H 109.5 . . ?
C7E C8E H8I 109.5 . . ?
H8G C8E H8I 109.5 . . ?
H8H C8E H8I 109.5 . . ?
C7E C9E H9G 109.5 . . ?
C7E C9E H9H 109.5 . . ?
H9G C9E H9H 109.5 . . ?
C7E C9E H9I 109.5 . . ?
H9G C9E H9I 109.5 . . ?
H9H C9E H9I 109.5 . . ?
C12E C10E C11E 111.1(4) . . ?
C12E C10E P1E 114.8(3) . . ?
C11E C10E P1E 109.0(3) . . ?
C12E C10E H10E 107.2 . . ?
C11E C10E H10E 107.2 . . ?
P1E C10E H10E 107.2 . . ?
C10E C11E H11G 109.5 . . ?
C10E C11E H11H 109.5 . . ?
H11G C11E H11H 109.5 . . ?
C10E C11E H11I 109.5 . . ?
H11G C11E H11I 109.5 . . ?
H11H C11E H11I 109.5 . . ?
C10E C12E H12G 109.5 . . ?
C10E C12E H12H 109.5 . . ?
H12G C12E H12H 109.5 . . ?
C10E C12E H12I 109.5 . . ?
H12G C12E H12I 109.5 . . ?
H12H C12E H12I 109.5 . . ?
C11D C10D C12D 110.7(10) . . ?
C11D C10D P1E 117.5(11) . . ?
C12D C10D P1E 111.1(11) . . ?
C11D C10D H10D 105.5 . . ?
C12D C10D H10D 105.5 . . ?
P1E C10D H10D 105.5 . . ?
C10D C11D H11J 109.5 . . ?
C10D C11D H11K 109.5 . . ?
H11J C11D H11K 109.5 . . ?
C10D C11D H11L 109.5 . . ?
H11J C11D H11L 109.5 . . ?
H11K C11D H11L 109.5 . . ?
C10D C12D H12J 109.5 . . ?
C10D C12D H12K 109.5 . . ?
H12J C12D H12K 109.5 . . ?
C10D C12D H12L 109.5 . . ?
H12J C12D H12L 109.5 . . ?
H12K C12D H12L 109.5 . . ?
B19 O1E Si1E 155.14(13) . . ?
O1E Si1E C13E 111.63(14) . . ?
O1E Si1E C16D 119.9(3) . . ?
O1E Si1E C19E 107.03(16) . . ?
C13E Si1E C19E 113.8(2) . . ?
O1E Si1E C19D 123.9(4) . . ?
C16D Si1E C19D 106.0(5) . . ?
O1E Si1E C13D 96.3(4) . . ?
C16D Si1E C13D 106.5(7) . . ?
C19D Si1E C13D 100.1(6) . . ?
O1E Si1E C16E 109.02(14) . . ?
C13E Si1E C16E 107.1(2) . . ?
C19E Si1E C16E 108.1(2) . . ?
C14E C13E C15E 111.2(4) . . ?
C14E C13E Si1E 112.4(3) . . ?
C15E C13E Si1E 109.2(3) . . ?
C14E C13E H13E 107.9 . . ?
C15E C13E H13E 107.9 . . ?
Si1E C13E H13E 107.9 . . ?
C13E C14E H14D 109.5 . . ?
C13E C14E H14E 109.5 . . ?
H14D C14E H14E 109.5 . . ?
C13E C14E H14F 109.5 . . ?
H14D C14E H14F 109.5 . . ?
H14E C14E H14F 109.5 . . ?
C13E C15E H15D 109.5 . . ?
C13E C15E H15E 109.5 . . ?
H15D C15E H15E 109.5 . . ?
C13E C15E H15F 109.5 . . ?
H15D C15E H15F 109.5 . . ?
H15E C15E H15F 109.5 . . ?
C18E C16E C17E 106.4(4) . . ?
C18E C16E Si1E 117.4(3) . . ?
C17E C16E Si1E 115.6(3) . . ?
C18E C16E H16E 105.5 . . ?
C17E C16E H16E 105.5 . . ?
Si1E C16E H16E 105.5 . . ?
C16E C17E H17D 109.5 . . ?
C16E C17E H17E 109.5 . . ?
H17D C17E H17E 109.5 . . ?
C16E C17E H17F 109.5 . . ?
H17D C17E H17F 109.5 . . ?
H17E C17E H17F 109.5 . . ?
C16E C18E H18D 109.5 . . ?
C16E C18E H18E 109.5 . . ?
H18D C18E H18E 109.5 . . ?
C16E C18E H18F 109.5 . . ?
H18D C18E H18F 109.5 . . ?
H18E C18E H18F 109.5 . . ?
C21E C19E C20E 112.9(4) . . ?
C21E C19E Si1E 114.8(3) . . ?
C20E C19E Si1E 111.0(3) . . ?
C21E C19E H19E 105.8 . . ?
C20E C19E H19E 105.8 . . ?
Si1E C19E H19E 105.8 . . ?
C19E C20E H20D 109.5 . . ?
C19E C20E H20E 109.5 . . ?
H20D C20E H20E 109.5 . . ?
C19E C20E H20F 109.5 . . ?
H20D C20E H20F 109.5 . . ?
H20E C20E H20F 109.5 . . ?
C19E C21E H21D 109.5 . . ?
C19E C21E H21E 109.5 . . ?
H21D C21E H21E 109.5 . . ?
C19E C21E H21F 109.5 . . ?
H21D C21E H21F 109.5 . . ?
H21E C21E H21F 109.5 . . ?
C15D C13D C14D 108.6(7) . . ?
C15D C13D Si1E 118.5(7) . . ?
C14D C13D Si1E 122.9(7) . . ?
C15D C13D H13D 100.6 . . ?
C14D C13D H13D 100.6 . . ?
Si1E C13D H13D 100.6 . . ?
C13D C14D H14G 109.5 . . ?
C13D C14D H14H 109.5 . . ?
H14G C14D H14H 109.5 . . ?
C13D C14D H14I 109.5 . . ?
H14G C14D H14I 109.5 . . ?
H14H C14D H14I 109.5 . . ?
C13D C15D H15G 109.5 . . ?
C13D C15D H15H 109.5 . . ?
H15G C15D H15H 109.5 . . ?
C13D C15D H15I 109.5 . . ?
H15G C15D H15I 109.5 . . ?
H15H C15D H15I 109.5 . . ?
C18D C16D C17D 108.9(8) . . ?
C18D C16D Si1E 102.6(7) . . ?
C17D C16D Si1E 112.8(7) . . ?
C18D C16D H16D 110.7 . . ?
C17D C16D H16D 110.7 . . ?
Si1E C16D H16D 110.7 . . ?
C16D C17D H17G 109.5 . . ?
C16D C17D H17H 109.5 . . ?
H17G C17D H17H 109.5 . . ?
C16D C17D H17I 109.5 . . ?
H17G C17D H17I 109.5 . . ?
H17H C17D H17I 109.5 . . ?
C16D C18D H18G 109.5 . . ?
C16D C18D H18H 109.5 . . ?
H18G C18D H18H 109.5 . . ?
C16D C18D H18I 109.5 . . ?
H18G C18D H18I 109.5 . . ?
H18H C18D H18I 109.5 . . ?
C20D C19D C21D 109.6(9) . . ?
C20D C19D Si1E 114.9(8) . . ?
C21D C19D Si1E 118.5(9) . . ?
C20D C19D H19D 103.9 . . ?
C21D C19D H19D 103.9 . . ?
Si1E C19D H19D 103.9 . . ?
C19D C20D H20G 109.5 . . ?
C19D C20D H20H 109.5 . . ?
H20G C20D H20H 109.5 . . ?
C19D C20D H20I 109.5 . . ?
H20G C20D H20I 109.5 . . ?
H20H C20D H20I 109.5 . . ?
C19D C21D H21G 109.5 . . ?
C19D C21D H21H 109.5 . . ?
H21G C21D H21H 109.5 . . ?
C19D C21D H21I 109.5 . . ?
H21G C21D H21I 109.5 . . ?
H21H C21D H21I 109.5 . . ?
C1F P1F C7F 109.65(9) . . ?
C1F P1F C10F 106.07(10) . . ?
C7F P1F C10F 104.61(11) . . ?
C1F P1F Au2 112.50(6) . . ?
C7F P1F Au2 110.00(7) . . ?
C10F P1F Au2 113.63(8) . . ?
C6F C1F C2F 120.92(18) . . ?
C6F C1F P1F 122.39(16) . . ?
C2F C1F P1F 116.69(13) . . ?
C3F C2F C1F 116.92(17) . . ?
C3F C2F B20 119.80(18) . . ?
C1F C2F B20 123.07(16) . . ?
C4F C3F C2F 121.8(2) . . ?
C4F C3F H3F 119.1 . . ?
C2F C3F H3F 119.1 . . ?
C5F C4F C3F 120.2(2) . . ?
C5F C4F H4F 119.9 . . ?
C3F C4F H4F 119.9 . . ?
C4F C5F C6F 119.70(19) . . ?
C4F C5F H5F 120.2 . . ?
C6F C5F H5F 120.2 . . ?
C5F C6F C1F 120.3(2) . . ?
C5F C6F H6F 119.9 . . ?
C1F C6F H6F 119.9 . . ?
C8F C7F C9F 110.81(18) . . ?
C8F C7F P1F 112.16(14) . . ?
C9F C7F P1F 114.41(15) . . ?
C8F C7F H7F 106.3 . . ?
C9F C7F H7F 106.3 . . ?
P1F C7F H7F 106.3 . . ?
C7F C8F H8J 109.5 . . ?
C7F C8F H8K 109.5 . . ?
H8J C8F H8K 109.5 . . ?
C7F C8F H8L 109.5 . . ?
H8J C8F H8L 109.5 . . ?
H8K C8F H8L 109.5 . . ?
C7F C9F H9J 109.5 . . ?
C7F C9F H9K 109.5 . . ?
H9J C9F H9K 109.5 . . ?
C7F C9F H9L 109.5 . . ?
H9J C9F H9L 109.5 . . ?
H9K C9F H9L 109.5 . . ?
C11F C10F C12F 111.6(2) . . ?
C11F C10F P1F 109.90(17) . . ?
C12F C10F P1F 111.40(17) . . ?
C11F C10F H10F 107.9 . . ?
C12F C10F H10F 107.9 . . ?
P1F C10F H10F 107.9 . . ?
C10F C11F H11M 109.5 . . ?
C10F C11F H11N 109.5 . . ?
H11M C11F H11N 109.5 . . ?
C10F C11F H11O 109.5 . . ?
H11M C11F H11O 109.5 . . ?
H11N C11F H11O 109.5 . . ?
C10F C12F H12M 109.5 . . ?
C10F C12F H12N 109.5 . . ?
H12M C12F H12N 109.5 . . ?
C10F C12F H12O 109.5 . . ?
H12M C12F H12O 109.5 . . ?
H12N C12F H12O 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
C9A C1 C2 C3 -0.2(3) . . . . ?
C1 C2 C3 C4 0.7(3) . . . . ?
C2 C3 C4 C4A -0.4(3) . . . . ?
C3 C4 C4A C9A -0.6(3) . . . . ?
C3 C4 C4A B10 178.08(17) . . . . ?
C10A C5 C6 C7 1.0(3) . . . . ?
C5 C6 C7 C8 0.3(3) . . . . ?
C6 C7 C8 C8A -0.5(3) . . . . ?
C7 C8 C8A C10A -0.5(3) . . . . ?
C7 C8 C8A B9 170.50(18) . . . . ?
C8 C8A B9 O1B -68.70(19) . . . . ?
C10A C8A B9 O1B 101.88(17) . . . . ?
C8 C8A B9 C9A 172.64(15) . . . . ?
C10A C8A B9 C9A -16.8(2) . . . . ?
C8 C8A B9 C2B 46.1(2) . . . . ?
C10A C8A B9 C2B -143.29(16) . . . . ?
C2 C1 C9A C4A -0.8(3) . . . . ?
C2 C1 C9A B9 -176.99(17) . . . . ?
C4 C4A C9A C1 1.1(3) . . . . ?
B10 C4A C9A C1 -177.55(16) . . . . ?
C4 C4A C9A B9 177.28(16) . . . . ?
B10 C4A C9A B9 -1.4(2) . . . . ?
O1B B9 C9A C1 70.4(2) . . . . ?
C8A B9 C9A C1 -173.29(15) . . . . ?
C2B B9 C9A C1 -48.4(2) . . . . ?
O1B B9 C9A C4A -105.60(18) . . . . ?
C8A B9 C9A C4A 10.7(2) . . . . ?
C2B B9 C9A C4A 135.60(16) . . . . ?
C9A C4A B10 C10A -3.7(2) . . . . ?
C4 C4A B10 C10A 177.64(16) . . . . ?
C9A C4A B10 C2C 172.88(16) . . . . ?
C4 C4A B10 C2C -5.8(2) . . . . ?
C9A C4A B10 Au1 -79.58(15) . . . . ?
C4 C4A B10 Au1 101.75(16) . . . . ?
C6 C5 C10A C8A -2.1(3) . . . . ?
C6 C5 C10A B10 175.85(17) . . . . ?
C8 C8A C10A C5 1.8(2) . . . . ?
B9 C8A C10A C5 -169.02(15) . . . . ?
C8 C8A C10A B10 -176.16(16) . . . . ?
B9 C8A C10A B10 13.0(2) . . . . ?
C4A B10 C10A C5 179.78(16) . . . . ?
C2C B10 C10A C5 3.3(3) . . . . ?
Au1 B10 C10A C5 -104.64(15) . . . . ?
C4A B10 C10A C8A -2.3(2) . . . . ?
C2C B10 C10A C8A -178.71(16) . . . . ?
Au1 B10 C10A C8A 73.30(14) . . . . ?
C7B P1B C1B C6B 31.28(17) . . . . ?
C10B P1B C1B C6B -81.51(16) . . . . ?
Au1 P1B C1B C6B 154.44(12) . . . . ?
C7B P1B C1B C2B -154.42(15) . . . . ?
C10B P1B C1B C2B 92.79(16) . . . . ?
Au1 P1B C1B C2B -31.25(18) . . . . ?
C6B C1B C2B C3B 4.0(3) . . . . ?
P1B C1B C2B C3B -170.11(14) . . . . ?
C6B C1B C2B B9 -170.84(17) . . . . ?
P1B C1B C2B B9 15.1(3) . . . . ?
O1B B9 C2B C3B 1.4(2) . . . . ?
C8A B9 C2B C3B -112.10(18) . . . . ?
C9A B9 C2B C3B 121.37(17) . . . . ?
O1B B9 C2B C1B 176.16(16) . . . . ?
C8A B9 C2B C1B 62.6(2) . . . . ?
C9A B9 C2B C1B -63.9(2) . . . . ?
C1B C2B C3B C4B -2.3(3) . . . . ?
B9 C2B C3B C4B 173.07(18) . . . . ?
C2B C3B C4B C5B -1.1(3) . . . . ?
C3B C4B C5B C6B 2.8(3) . . . . ?
C4B C5B C6B C1B -1.1(3) . . . . ?
C2B C1B C6B C5B -2.4(3) . . . . ?
P1B C1B C6B C5B 172.02(17) . . . . ?
C1B P1B C7B C9B 62.81(17) . . . . ?
C10B P1B C7B C9B 170.54(15) . . . . ?
Au1 P1B C7B C9B -70.08(16) . . . . ?
C1B P1B C7B C8B -174.45(15) . . . . ?
C10B P1B C7B C8B -66.73(18) . . . . ?
Au1 P1B C7B C8B 52.66(17) . . . . ?
C1B P1B C10B C12B -159.04(16) . . . . ?
C7B P1B C10B C12B 90.05(18) . . . . ?
Au1 P1B C10B C12B -26.92(18) . . . . ?
C1B P1B C10B C11B 71.41(18) . . . . ?
C7B P1B C10B C11B -39.51(19) . . . . ?
Au1 P1B C10B C11B -156.48(15) . . . . ?
C8A B9 O1B Si1B -86.1(4) . . . . ?
C9A B9 O1B Si1B 35.0(4) . . . . ?
C2B B9 O1B Si1B 157.3(3) . . . . ?
B9 O1B Si1B C16B 44.1(4) . . . . ?
B9 O1B Si1B C13B -75.7(4) . . . . ?
B9 O1B Si1B C19B 165.4(3) . . . . ?
O1B Si1B C13B C15B -59.63(17) . . . . ?
C16B Si1B C13B C15B 176.80(15) . . . . ?
C19B Si1B C13B C15B 58.07(19) . . . . ?
O1B Si1B C13B C14B 172.92(17) . . . . ?
C16B Si1B C13B C14B 49.4(2) . . . . ?
C19B Si1B C13B C14B -69.4(2) . . . . ?
O1B Si1B C16B C17B -66.26(18) . . . . ?
C13B Si1B C16B C17B 52.92(18) . . . . ?
C19B Si1B C16B C17B 172.59(16) . . . . ?
O1B Si1B C16B C18B 59.11(18) . . . . ?
C13B Si1B C16B C18B 178.29(16) . . . . ?
C19B Si1B C16B C18B -62.04(18) . . . . ?
O1B Si1B C19B C20B -38.9(2) . . . . ?
C16B Si1B C19B C20B 85.8(2) . . . . ?
C13B Si1B C19B C20B -155.80(18) . . . . ?
O1B Si1B C19B C21B -165.13(18) . . . . ?
C16B Si1B C19B C21B -40.5(2) . . . . ?
C13B Si1B C19B C21B 77.9(2) . . . . ?
C10C P1C C1C C2C -142.78(15) . . . . ?
C7C P1C C1C C2C 102.39(16) . . . . ?
Au1 P1C C1C C2C -18.73(16) . . . . ?
C10C P1C C1C C6C 37.99(19) . . . . ?
C7C P1C C1C C6C -76.83(18) . . . . ?
Au1 P1C C1C C6C 162.05(14) . . . . ?
C6C C1C C2C C3C 3.0(3) . . . . ?
P1C C1C C2C C3C -176.19(15) . . . . ?
C6C C1C C2C B10 -172.22(17) . . . . ?
P1C C1C C2C B10 8.5(2) . . . . ?
C10A B10 C2C C1C -88.4(2) . . . . ?
C4A B10 C2C C1C 95.1(2) . . . . ?
Au1 B10 C2C C1C 4.4(2) . . . . ?
C10A B10 C2C C3C 96.5(2) . . . . ?
C4A B10 C2C C3C -80.0(2) . . . . ?
Au1 B10 C2C C3C -170.74(15) . . . . ?
C1C C2C C3C C4C -1.6(3) . . . . ?
B10 C2C C3C C4C 173.7(2) . . . . ?
C2C C3C C4C C5C -0.9(4) . . . . ?
C3C C4C C5C C6C 1.9(3) . . . . ?
C4C C5C C6C C1C -0.5(3) . . . . ?
C2C C1C C6C C5C -2.1(3) . . . . ?
P1C C1C C6C C5C 177.12(16) . . . . ?
C1C P1C C7C C8C -153.34(18) . . . . ?
C10C P1C C7C C8C 95.2(2) . . . . ?
Au1 P1C C7C C8C -32.2(2) . . . . ?
C1C P1C C7C C9C 76.78(18) . . . . ?
C10C P1C C7C C9C -34.7(2) . . . . ?
Au1 P1C C7C C9C -162.08(15) . . . . ?
C1C P1C C10C C11C -174.1(2) . . . . ?
C7C P1C C10C C11C -63.4(2) . . . . ?
Au1 P1C C10C C11C 63.0(2) . . . . ?
C1C P1C C10C C12C 61.7(2) . . . . ?
C7C P1C C10C C12C 172.47(19) . . . . ?
Au1 P1C C10C C12C -61.2(2) . . . . ?
C19A C11 C12 C13 1.5(4) . . . . ?
C11 C12 C13 C14 -1.0(4) . . . . ?
C12 C13 C14 C14A -0.1(4) . . . . ?
C13 C14 C14A C19A 0.6(3) . . . . ?
C13 C14 C14A B20 179.6(2) . . . . ?
C20A C15 C16 C17 0.4(3) . . . . ?
C15 C16 C17 C18 0.2(3) . . . . ?
C16 C17 C18 C18A 0.1(3) . . . . ?
C17 C18 C18A C20A -1.0(3) . . . . ?
C17 C18 C18A B19 172.2(2) . . . . ?
C18 C18A B19 O1E -68.6(2) . . . . ?
C20A C18A B19 O1E 104.3(2) . . . . ?
C18 C18A B19 C19A 174.55(17) . . . . ?
C20A C18A B19 C19A -12.6(3) . . . . ?
C18 C18A B19 C2E 47.1(2) . . . . ?
C20A C18A B19 C2E -140.03(18) . . . . ?
C12 C11 C19A C14A -1.0(3) . . . . ?
C12 C11 C19A B19 -174.3(2) . . . . ?
C14 C14A C19A C11 -0.1(3) . . . . ?
B20 C14A C19A C11 -179.11(18) . . . . ?
C14 C14A C19A B19 172.99(19) . . . . ?
B20 C14A C19A B19 -6.1(3) . . . . ?
O1E B19 C19A C11 65.6(2) . . . . ?
C18A B19 C19A C11 -176.50(18) . . . . ?
C2E B19 C19A C11 -50.5(2) . . . . ?
O1E B19 C19A C14A -107.3(2) . . . . ?
C18A B19 C19A C14A 10.6(3) . . . . ?
C2E B19 C19A C14A 136.55(19) . . . . ?
C14 C14A B20 C20A -176.91(18) . . . . ?
C19A C14A B20 C20A 2.1(3) . . . . ?
C14 C14A B20 C2F -2.7(3) . . . . ?
C19A C14A B20 C2F 176.34(17) . . . . ?
C14 C14A B20 Au2 103.07(18) . . . . ?
C19A C14A B20 Au2 -77.89(17) . . . . ?
C16 C15 C20A C18A -1.3(3) . . . . ?
C16 C15 C20A B20 177.40(19) . . . . ?
C18 C18A C20A C15 1.6(3) . . . . ?
B19 C18A C20A C15 -171.44(17) . . . . ?
C18 C18A C20A B20 -177.11(17) . . . . ?
B19 C18A C20A B20 9.8(3) . . . . ?
C14A B20 C20A C15 177.24(17) . . . . ?
C2F B20 C20A C15 3.3(3) . . . . ?
Au2 B20 C20A C15 -106.63(16) . . . . ?
C14A B20 C20A C18A -4.1(3) . . . . ?
C2F B20 C20A C18A -178.05(17) . . . . ?
Au2 B20 C20A C18A 72.07(16) . . . . ?
C10E P1E C1E C6E -59.7(2) . . . . ?
C10D P1E C1E C6E -66.1(6) . . . . ?
C7E P1E C1E C6E 51.66(18) . . . . ?
Au2 P1E C1E C6E 174.30(13) . . . . ?
C10E P1E C1E C2E 119.9(2) . . . . ?
C10D P1E C1E C2E 113.6(6) . . . . ?
C7E P1E C1E C2E -128.70(18) . . . . ?
Au2 P1E C1E C2E -6.1(2) . . . . ?
C6E C1E C2E C3E 0.9(3) . . . . ?
P1E C1E C2E C3E -178.74(15) . . . . ?
C6E C1E C2E B19 -175.5(2) . . . . ?
P1E C1E C2E B19 4.9(3) . . . . ?
O1E B19 C2E C1E -179.09(19) . . . . ?
C19A B19 C2E C1E -62.9(3) . . . . ?
C18A B19 C2E C1E 64.1(3) . . . . ?
O1E B19 C2E C3E 4.6(2) . . . . ?
C19A B19 C2E C3E 120.79(19) . . . . ?
C18A B19 C2E C3E -112.23(19) . . . . ?
C1E C2E C3E C4E -1.9(3) . . . . ?
B19 C2E C3E C4E 175.0(2) . . . . ?
C2E C3E C4E C5E 0.8(4) . . . . ?
C3E C4E C5E C6E 1.4(4) . . . . ?
C4E C5E C6E C1E -2.3(4) . . . . ?
C2E C1E C6E C5E 1.2(3) . . . . ?
P1E C1E C6E C5E -179.16(19) . . . . ?
C1E P1E C7E C8E 59.61(19) . . . . ?
C10E P1E C7E C8E 168.2(2) . . . . ?
C10D P1E C7E C8E 172.0(8) . . . . ?
Au2 P1E C7E C8E -73.14(18) . . . . ?
C1E P1E C7E C9E -176.2(2) . . . . ?
C10E P1E C7E C9E -67.6(3) . . . . ?
C10D P1E C7E C9E -63.8(8) . . . . ?
Au2 P1E C7E C9E 51.0(2) . . . . ?
C1E P1E C10E C12E -179.9(3) . . . . ?
C10D P1E C10E C12E -75(8) . . . . ?
C7E P1E C10E C12E 71.7(3) . . . . ?
Au2 P1E C10E C12E -45.6(4) . . . . ?
C1E P1E C10E C11E -54.6(4) . . . . ?
C10D P1E C10E C11E 50(8) . . . . ?
C7E P1E C10E C11E -163.1(4) . . . . ?
Au2 P1E C10E C11E 79.7(4) . . . . ?
C1E P1E C10D C11D 58.3(15) . . . . ?
C10E P1E C10D C11D -18(7) . . . . ?
C7E P1E C10D C11D -52.9(16) . . . . ?
Au2 P1E C10D C11D -169.8(13) . . . . ?
C1E P1E C10D C12D -70.5(14) . . . . ?
C10E P1E C10D C12D -147(9) . . . . ?
C7E P1E C10D C12D 178.2(11) . . . . ?
Au2 P1E C10D C12D 61.3(14) . . . . ?
C19A B19 O1E Si1E 75.5(4) . . . . ?
C18A B19 O1E Si1E -45.2(4) . . . . ?
C2E B19 O1E Si1E -163.7(3) . . . . ?
B19 O1E Si1E C13E -146.8(4) . . . . ?
B19 O1E Si1E C16D -52.3(6) . . . . ?
B19 O1E Si1E C19E 88.1(4) . . . . ?
B19 O1E Si1E C19D 87.9(6) . . . . ?
B19 O1E Si1E C13D -165.5(6) . . . . ?
B19 O1E Si1E C16E -28.6(4) . . . . ?
O1E Si1E C13E C14E -69.1(3) . . . . ?
C16D Si1E C13E C14E 171.4(5) . . . . ?
C19E Si1E C13E C14E 52.2(4) . . . . ?
C19D Si1E C13E C14E 66.6(5) . . . . ?
C13D Si1E C13E C14E -16.8(8) . . . . ?
C16E Si1E C13E C14E 171.6(3) . . . . ?
O1E Si1E C13E C15E 54.9(4) . . . . ?
C16D Si1E C13E C15E -64.6(5) . . . . ?
C19E Si1E C13E C15E 176.1(3) . . . . ?
C19D Si1E C13E C15E -169.4(5) . . . . ?
C13D Si1E C13E C15E 107.2(10) . . . . ?
C16E Si1E C13E C15E -64.4(4) . . . . ?
O1E Si1E C19E C21E 51.5(4) . . . . ?
C13E Si1E C19E C21E -72.4(4) . . . . ?
C16D Si1E C19E C21E -168.0(5) . . . . ?
C19D Si1E C19E C21E -129(2) . . . . ?
C13D Si1E C19E C21E -49.6(6) . . . . ?
C16E Si1E C19E C21E 168.8(3) . . . . ?
O1E Si1E C19E C20E -179.0(4) . . . . ?
C13E Si1E C19E C20E 57.1(5) . . . . ?
C16D Si1E C19E C20E -38.5(6) . . . . ?
C19D Si1E C19E C20E 0.6(17) . . . . ?
C13D Si1E C19E C20E 79.9(7) . . . . ?
C16E Si1E C19E C20E -61.7(5) . . . . ?
O1E Si1E C13D C15D -163.6(13) . . . . ?
C13E Si1E C13D C15D 64.1(11) . . . . ?
C16D Si1E C13D C15D 72.7(14) . . . . ?
C19E Si1E C13D C15D -54.3(14) . . . . ?
C19D Si1E C13D C15D -37.5(14) . . . . ?
C16E Si1E C13D C15D 74.7(14) . . . . ?
O1E Si1E C13D C14D 54.8(13) . . . . ?
C13E Si1E C13D C14D -77.5(16) . . . . ?
C16D Si1E C13D C14D -69.0(13) . . . . ?
C19E Si1E C13D C14D 164.1(12) . . . . ?
C19D Si1E C13D C14D -179.1(13) . . . . ?
C16E Si1E C13D C14D -66.9(14) . . . . ?
O1E Si1E C16D C18D 66.0(8) . . . . ?
C13E Si1E C16D C18D 177.0(8) . . . . ?
C19E Si1E C16D C18D -69.6(8) . . . . ?
C19D Si1E C16D C18D -80.5(8) . . . . ?
C13D Si1E C16D C18D 173.5(7) . . . . ?
C16E Si1E C16D C18D -2.7(7) . . . . ?
O1E Si1E C16D C17D -51.0(8) . . . . ?
C13E Si1E C16D C17D 59.9(7) . . . . ?
C19E Si1E C16D C17D 173.4(6) . . . . ?
C19D Si1E C16D C17D 162.4(8) . . . . ?
C13D Si1E C16D C17D 56.5(8) . . . . ?
C16E Si1E C16D C17D -119.7(12) . . . . ?
O1E Si1E C19D C20D -55.1(11) . . . . ?
C13E Si1E C19D C20D 176.3(9) . . . . ?
C16D Si1E C19D C20D 89.7(10) . . . . ?
C19E Si1E C19D C20D -55.5(17) . . . . ?
C13D Si1E C19D C20D -159.7(11) . . . . ?
C16E Si1E C19D C20D 65.8(10) . . . . ?
O1E Si1E C19D C21D 172.5(11) . . . . ?
C13E Si1E C19D C21D 43.9(13) . . . . ?
C16D Si1E C19D C21D -42.7(13) . . . . ?
C19E Si1E C19D C21D 172(3) . . . . ?
C13D Si1E C19D C21D 67.9(14) . . . . ?
C16E Si1E C19D C21D -66.6(13) . . . . ?
C7F P1F C1F C6F -69.10(18) . . . . ?
C10F P1F C1F C6F 43.33(19) . . . . ?
Au2 P1F C1F C6F 168.14(14) . . . . ?
C7F P1F C1F C2F 111.39(15) . . . . ?
C10F P1F C1F C2F -136.17(15) . . . . ?
Au2 P1F C1F C2F -11.36(16) . . . . ?
C6F C1F C2F C3F 4.3(3) . . . . ?
P1F C1F C2F C3F -176.18(15) . . . . ?
C6F C1F C2F B20 -170.45(18) . . . . ?
P1F C1F C2F B20 9.1(2) . . . . ?
C20A B20 C2F C3F 85.0(2) . . . . ?
C14A B20 C2F C3F -89.2(2) . . . . ?
Au2 B20 C2F C3F -177.22(15) . . . . ?
C20A B20 C2F C1F -100.4(2) . . . . ?
C14A B20 C2F C1F 85.4(2) . . . . ?
Au2 B20 C2F C1F -2.6(2) . . . . ?
C1F C2F C3F C4F -3.2(3) . . . . ?
B20 C2F C3F C4F 171.8(2) . . . . ?
C2F C3F C4F C5F -0.1(4) . . . . ?
C3F C4F C5F C6F 2.4(3) . . . . ?
C4F C5F C6F C1F -1.3(3) . . . . ?
C2F C1F C6F C5F -2.2(3) . . . . ?
P1F C1F C6F C5F 178.31(16) . . . . ?
C1F P1F C7F C8F -70.43(16) . . . . ?
C10F P1F C7F C8F 176.19(15) . . . . ?
Au2 P1F C7F C8F 53.80(16) . . . . ?
C1F P1F C7F C9F 56.88(18) . . . . ?
C10F P1F C7F C9F -56.50(18) . . . . ?
Au2 P1F C7F C9F -178.89(14) . . . . ?
C1F P1F C10F C11F 67.32(18) . . . . ?
C7F P1F C10F C11F -176.78(17) . . . . ?
Au2 P1F C10F C11F -56.79(18) . . . . ?
C1F P1F C10F C12F -168.49(19) . . . . ?
C7F P1F C10F C12F -52.6(2) . . . . ?
Au2 P1F C10F C12F 67.4(2) . . . . ?

_refine_diff_density_max         1.201
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.065

_shelxl_version_number           2013-4

