# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_hh232JT116_0m
_database_code_depnum_ccdc_archive 'CCDC 2018630'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2020-10-08 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 H56 Au B2 O2 P2'
_chemical_formula_weight         909.42

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      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                   11.1923(3)
_cell_length_b                   13.0857(4)
_cell_length_c                   15.6457(5)
_cell_angle_alpha                84.3144(5)
_cell_angle_beta                 74.4558(5)
_cell_angle_gamma                68.8762(5)
_cell_volume                     2059.29(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9228
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      31.61

_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    1.467
_exptl_crystal_F_000             922
_exptl_transmission_factor_min   0.260
_exptl_transmission_factor_max   0.382
_exptl_crystal_size_max          0.484
_exptl_crystal_size_mid          0.343
_exptl_crystal_size_min          0.211
_exptl_absorpt_coefficient_mu    3.686
_shelx_estimated_absorpt_T_min   0.269
_shelx_estimated_absorpt_T_max   0.510
_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            42609
_diffrn_reflns_av_unetI/netI     0.0121
_diffrn_reflns_av_R_equivalents  0.0150
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.668
_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             10216
_reflns_number_gt                9912
_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+0.8907P] 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         10216
_refine_ls_number_parameters     559
_refine_ls_number_restraints     493
_refine_ls_R_factor_all          0.0145
_refine_ls_R_factor_gt           0.0137
_refine_ls_wR_factor_ref         0.0347
_refine_ls_wR_factor_gt          0.0345
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.035
_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 0.52078(2) 0.75797(2) 0.73507(2) 0.01362(2) Uani 1 1 d . . . . .
B1 B 0.52367(17) 0.52222(13) 0.81503(10) 0.0174(3) Uani 1 1 d . . . . .
O1 O 0.48659(13) 0.44734(9) 0.89729(8) 0.0241(2) Uani 1 1 d D . . . .
H1N H 0.551(3) 0.419(3) 0.921(2) 0.036 Uiso 0.62(3) 1 d D U P A 1
H1O H 0.443(5) 0.412(4) 0.885(4) 0.036 Uiso 0.38(3) 1 d D U P A 2
H1P H 0.426(3) 0.491(3) 0.935(2) 0.036 Uiso 0.56(3) 1 d D U P B 3
C1 C 0.38139(14) 0.60401(11) 0.80246(9) 0.0174(3) Uani 1 1 d . . . . .
C2 C 0.32004(16) 0.58220(12) 0.74236(10) 0.0219(3) Uani 1 1 d . . . . .
H2A H 0.3663 0.5199 0.7050 0.026 Uiso 1 1 calc R U . . .
C3 C 0.19424(16) 0.64847(14) 0.73581(11) 0.0258(3) Uani 1 1 d . . . . .
H3A H 0.1558 0.6319 0.6942 0.031 Uiso 1 1 calc R U . . .
C4 C 0.12475(16) 0.73959(14) 0.79082(12) 0.0265(3) Uani 1 1 d . . . . .
H4A H 0.0385 0.7856 0.7870 0.032 Uiso 1 1 calc R U . . .
C5 C 0.18297(15) 0.76251(13) 0.85150(11) 0.0227(3) Uani 1 1 d . . . . .
H5A H 0.1350 0.8247 0.8888 0.027 Uiso 1 1 calc R U . . .
C6 C 0.31012(15) 0.69678(12) 0.85920(10) 0.0185(3) Uani 1 1 d . . . . .
B2 B 0.37318(17) 0.71597(13) 0.93586(11) 0.0184(3) Uani 1 1 d . . . . .
O2 O 0.34460(13) 0.63269(10) 1.01263(7) 0.0243(2) Uani 1 1 d D . . . .
H2N H 0.2624(12) 0.646(3) 1.032(3) 0.036 Uiso 0.54(3) 1 d D U P C 1
H2O H 0.402(4) 0.618(4) 1.042(3) 0.036 Uiso 0.46(3) 1 d D U P C 2
H2P H 0.356(5) 0.575(2) 0.987(3) 0.036 Uiso 0.44(3) 1 d D U P B 3
C7 C 0.53295(15) 0.67563(11) 0.90696(9) 0.0168(3) Uani 1 1 d . . . . .
C8 C 0.60378(16) 0.72330(12) 0.94219(10) 0.0206(3) Uani 1 1 d . . . . .
H8A H 0.5564 0.7821 0.9830 0.025 Uiso 1 1 calc R U . . .
C9 C 0.74107(17) 0.68680(13) 0.91889(11) 0.0260(3) Uani 1 1 d . . . . .
H9A H 0.7865 0.7220 0.9420 0.031 Uiso 1 1 calc R U . . .
C10 C 0.81200(16) 0.59823(13) 0.86144(11) 0.0256(3) Uani 1 1 d . . . . .
H10A H 0.9060 0.5728 0.8450 0.031 Uiso 1 1 calc R U . . .
C11 C 0.74410(15) 0.54745(12) 0.82835(10) 0.0210(3) Uani 1 1 d . . . . .
H11A H 0.7931 0.4857 0.7907 0.025 Uiso 1 1 calc R U . . .
C12 C 0.60517(15) 0.58452(11) 0.84876(9) 0.0168(3) Uani 1 1 d . . . . .
C13 C 0.61531(15) 0.44316(11) 0.73104(10) 0.0181(3) Uani 1 1 d . . . . .
C14 C 0.66851(14) 0.48244(11) 0.64734(10) 0.0177(3) Uani 1 1 d . . . . .
C15 C 0.75711(16) 0.40914(13) 0.57977(11) 0.0247(3) Uani 1 1 d . . . . .
H15A H 0.7925 0.4371 0.5242 0.030 Uiso 1 1 calc R U . . .
C16 C 0.79396(17) 0.29638(13) 0.59281(12) 0.0296(4) Uani 1 1 d . . . . .
H16A H 0.8550 0.2476 0.5470 0.036 Uiso 1 1 calc R U . . .
C17 C 0.74062(18) 0.25637(13) 0.67316(13) 0.0301(4) Uani 1 1 d . . . . .
H17A H 0.7634 0.1796 0.6825 0.036 Uiso 1 1 calc R U . . .
C18 C 0.65360(18) 0.32837(12) 0.74047(11) 0.0260(3) Uani 1 1 d . . . . .
H18A H 0.6183 0.2989 0.7953 0.031 Uiso 1 1 calc R U . . .
P1 P 0.62215(4) 0.62971(3) 0.62121(2) 0.01516(7) Uani 1 1 d . . . . .
C19 C 0.51283(16) 0.64971(12) 0.54480(10) 0.0210(3) Uani 1 1 d . . . . .
H19A H 0.4596 0.6012 0.5680 0.025 Uiso 1 1 calc R U . . .
C20 C 0.58416(19) 0.61444(16) 0.44871(11) 0.0316(4) Uani 1 1 d . . . . .
H20A H 0.5188 0.6280 0.4140 0.047 Uiso 1 1 calc R U . . .
H20B H 0.6371 0.5362 0.4471 0.047 Uiso 1 1 calc R U . . .
H20C H 0.6422 0.6566 0.4234 0.047 Uiso 1 1 calc R U . . .
C21 C 0.41251(19) 0.76628(14) 0.54820(12) 0.0304(4) Uani 1 1 d . . . . .
H21A H 0.3576 0.7727 0.5072 0.046 Uiso 1 1 calc R U . . .
H21B H 0.4595 0.8184 0.5309 0.046 Uiso 1 1 calc R U . . .
H21C H 0.3562 0.7825 0.6086 0.046 Uiso 1 1 calc R U . . .
C22 C 0.77816(16) 0.64584(13) 0.55388(10) 0.0216(3) Uani 1 1 d . . . . .
H22A H 0.8112 0.5981 0.5003 0.026 Uiso 1 1 calc R U . . .
C23 C 0.75362(18) 0.76442(14) 0.52286(11) 0.0278(3) Uani 1 1 d . . . . .
H23A H 0.8369 0.7715 0.4873 0.042 Uiso 1 1 calc R U . . .
H23B H 0.7191 0.8127 0.5746 0.042 Uiso 1 1 calc R U . . .
H23C H 0.6891 0.7852 0.4868 0.042 Uiso 1 1 calc R U . . .
C24 C 0.88403(16) 0.60961(15) 0.60638(12) 0.0292(3) Uani 1 1 d . . . . .
H24A H 0.9655 0.6187 0.5696 0.044 Uiso 1 1 calc R U . . .
H24B H 0.9018 0.5324 0.6233 0.044 Uiso 1 1 calc R U . . .
H24C H 0.8526 0.6545 0.6599 0.044 Uiso 1 1 calc R U . . .
C25 C 0.30345(15) 0.84058(12) 0.97352(10) 0.0196(3) Uani 1 1 d . . . . .
C26 C 0.31414(15) 0.93360(12) 0.92186(10) 0.0194(3) Uani 1 1 d . . . . .
C27 C 0.23899(16) 1.03978(13) 0.95517(12) 0.0260(3) Uani 1 1 d . . . . .
H27A H 0.2452 1.1013 0.9190 0.031 Uiso 1 1 calc R U . . .
C28 C 0.15554(16) 1.05632(15) 1.04029(13) 0.0308(4) Uani 1 1 d . . . . .
H28A H 0.1048 1.1285 1.0619 0.037 Uiso 1 1 calc R U . . .
C29 C 0.14744(16) 0.96719(15) 1.09265(12) 0.0302(4) Uani 1 1 d . . . . .
H29A H 0.0923 0.9774 1.1513 0.036 Uiso 1 1 calc R U . . .
C30 C 0.22016(16) 0.86177(14) 1.05959(11) 0.0259(3) Uani 1 1 d . . . . .
H30A H 0.2131 0.8013 1.0970 0.031 Uiso 1 1 calc R U . . .
P2 P 0.42971(4) 0.92323(3) 0.81168(2) 0.01515(7) Uani 1 1 d . . . . .
C31 C 0.33716(17) 1.03193(12) 0.74463(11) 0.0249(3) Uani 1 1 d . . . . .
H31A H 0.3072 1.1037 0.7752 0.030 Uiso 1 1 calc R U . . .
C32 C 0.21527(19) 1.00906(14) 0.73821(14) 0.0336(4) Uani 1 1 d . . . . .
H32A H 0.1660 1.0666 0.7028 0.050 Uiso 1 1 calc R U . . .
H32B H 0.1586 1.0081 0.7979 0.050 Uiso 1 1 calc R U . . .
H32C H 0.2431 0.9379 0.7099 0.050 Uiso 1 1 calc R U . . .
C33 C 0.4256(2) 1.03871(15) 0.65236(12) 0.0356(4) Uani 1 1 d . . . . .
H33A H 0.3750 1.0967 0.6179 0.053 Uiso 1 1 calc R U . . .
H33B H 0.4567 0.9685 0.6219 0.053 Uiso 1 1 calc R U . . .
H33C H 0.5018 1.0553 0.6582 0.053 Uiso 1 1 calc R U . . .
C34 C 0.55968(15) 0.96827(12) 0.83228(10) 0.0188(3) Uani 1 1 d . . . . .
H34A H 0.5753 0.9357 0.8906 0.023 Uiso 1 1 calc R U . . .
C35 C 0.69176(16) 0.92174(14) 0.76357(11) 0.0262(3) Uani 1 1 d . . . . .
H35A H 0.7573 0.9471 0.7767 0.039 Uiso 1 1 calc R U . . .
H35B H 0.6801 0.9468 0.7042 0.039 Uiso 1 1 calc R U . . .
H35C H 0.7225 0.8415 0.7658 0.039 Uiso 1 1 calc R U . . .
C36 C 0.52081(18) 1.09258(13) 0.84145(12) 0.0279(3) Uani 1 1 d . . . . .
H36A H 0.5945 1.1087 0.8523 0.042 Uiso 1 1 calc R U . . .
H36B H 0.4429 1.1194 0.8913 0.042 Uiso 1 1 calc R U . . .
H36C H 0.5002 1.1290 0.7867 0.042 Uiso 1 1 calc R U . . .
C1S C 0.1615(5) 0.3789(4) 0.7781(4) 0.0417(16) Uani 0.493(3) 1 d G U P D 1
H1S H 0.2180 0.4086 0.7350 0.050 Uiso 0.493(3) 1 calc R U P D 1
C2S C 0.1416(5) 0.3963(5) 0.8678(4) 0.0436(16) Uani 0.493(3) 1 d G U P D 1
H2S H 0.1845 0.4379 0.8861 0.052 Uiso 0.493(3) 1 calc R U P D 1
C3S C 0.0589(6) 0.3527(6) 0.9308(3) 0.042(2) Uani 0.493(3) 1 d G U P D 1
H3S H 0.0453 0.3646 0.9922 0.051 Uiso 0.493(3) 1 calc R U P D 1
C4S C -0.0039(5) 0.2918(5) 0.9041(4) 0.0324(14) Uani 0.493(3) 1 d G U P D 1
H4S H -0.0604 0.2620 0.9471 0.039 Uiso 0.493(3) 1 calc R U P D 1
C5S C 0.0160(6) 0.2744(5) 0.8143(5) 0.0332(16) Uani 0.493(3) 1 d G U P D 1
H5S H -0.0269 0.2327 0.7960 0.040 Uiso 0.493(3) 1 calc R U P D 1
C6S C 0.0987(6) 0.3179(5) 0.7513(4) 0.0410(18) Uani 0.493(3) 1 d G U P D 1
H6S H 0.1123 0.3061 0.6900 0.049 Uiso 0.493(3) 1 calc R U P D 1
C1T C 0.2153(6) 0.3499(5) 0.7824(5) 0.0341(15) Uani 0.366(3) 1 d G U P E 2
H1T H 0.2926 0.3595 0.7448 0.041 Uiso 0.366(3) 1 calc R U P E 2
C2T C 0.1804(7) 0.3736(6) 0.8723(5) 0.040(2) Uani 0.366(3) 1 d G U P E 2
H2T H 0.2339 0.3994 0.8962 0.048 Uiso 0.366(3) 1 calc R U P E 2
C3T C 0.0672(8) 0.3595(7) 0.9274(4) 0.036(2) Uani 0.366(3) 1 d G U P E 2
H3T H 0.0434 0.3758 0.9888 0.044 Uiso 0.366(3) 1 calc R U P E 2
C4T C -0.0111(6) 0.3218(6) 0.8925(6) 0.0367(19) Uani 0.366(3) 1 d G U P E 2
H4T H -0.0885 0.3122 0.9301 0.044 Uiso 0.366(3) 1 calc R U P E 2
C5T C 0.0237(7) 0.2981(6) 0.8026(6) 0.034(2) Uani 0.366(3) 1 d G U P E 2
H5T H -0.0298 0.2723 0.7788 0.041 Uiso 0.366(3) 1 calc R U P E 2
C6T C 0.1369(7) 0.3121(6) 0.7476(4) 0.0381(19) Uani 0.366(3) 1 d G U P E 2
H6T H 0.1608 0.2959 0.6861 0.046 Uiso 0.366(3) 1 calc R U P E 2
C1U C 0.1358(10) 0.3782(9) 0.7309(8) 0.036(2) Uani 0.141(3) 1 d G U P F 3
H1U H 0.1727 0.4153 0.6816 0.043 Uiso 0.141(3) 1 calc R U P F 3
C2U C 0.1631(12) 0.3788(10) 0.8124(10) 0.040(4) Uani 0.141(3) 1 d G U P F 3
H2U H 0.2188 0.4163 0.8187 0.048 Uiso 0.141(3) 1 calc R U P F 3
C3U C 0.1090(13) 0.3245(10) 0.8846(8) 0.042(3) Uani 0.141(3) 1 d G U P F 3
H3U H 0.1277 0.3249 0.9403 0.051 Uiso 0.141(3) 1 calc R U P F 3
C4U C 0.0276(12) 0.2696(10) 0.8753(8) 0.036(2) Uani 0.141(3) 1 d G U P F 3
H4U H -0.0094 0.2325 0.9247 0.043 Uiso 0.141(3) 1 calc R U P F 3
C5U C 0.0002(11) 0.2690(11) 0.7939(9) 0.033(3) Uani 0.141(3) 1 d G U P F 3
H5U H -0.0554 0.2314 0.7875 0.039 Uiso 0.141(3) 1 calc R U P F 3
C6U C 0.0543(11) 0.3233(10) 0.7216(7) 0.033(3) Uani 0.141(3) 1 d G U P F 3
H6U H 0.0356 0.3228 0.6660 0.039 Uiso 0.141(3) 1 calc R U P F 3
C7S C 0.88535(18) 0.99055(16) 0.49156(15) 0.0373(4) Uani 1 1 d . . . . .
H7S H 0.8061 0.9837 0.4859 0.045 Uiso 1 1 calc R U . . .
C8S C 0.94027(18) 0.93774(15) 0.56026(13) 0.0328(4) Uani 1 1 d . . . . .
H8S H 0.8988 0.8950 0.6017 0.039 Uiso 1 1 calc R U . . .
C9S C 1.0557(2) 0.94729(15) 0.56849(13) 0.0340(4) Uani 1 1 d . . . . .
H9S H 1.0940 0.9110 0.6155 0.041 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 2.3269(4) . ?
Au1 P2 2.3286(3) . ?
B1 O1 1.5957(19) . ?
B1 C1 1.618(2) . ?
B1 C13 1.622(2) . ?
B1 C12 1.629(2) . ?
O1 H1N 0.845(10) . ?
O1 H1O 0.848(10) . ?
O1 H1P 0.847(10) . ?
C1 C2 1.406(2) . ?
C1 C6 1.4262(19) . ?
C2 C3 1.387(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.394(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.394(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.403(2) . ?
C5 H5A 0.9500 . ?
C6 B2 1.625(2) . ?
B2 O2 1.5870(19) . ?
B2 C7 1.617(2) . ?
B2 C25 1.625(2) . ?
O2 H2N 0.844(10) . ?
O2 H2O 0.844(10) . ?
O2 H2P 0.845(10) . ?
C7 C8 1.407(2) . ?
C7 C12 1.4247(19) . ?
C8 C9 1.388(2) . ?
C8 H8A 0.9500 . ?
C9 C10 1.394(2) . ?
C9 H9A 0.9500 . ?
C10 C11 1.389(2) . ?
C10 H10A 0.9500 . ?
C11 C12 1.406(2) . ?
C11 H11A 0.9500 . ?
C13 C18 1.4099(19) . ?
C13 C14 1.415(2) . ?
C14 C15 1.405(2) . ?
C14 P1 1.8404(14) . ?
C15 C16 1.391(2) . ?
C15 H15A 0.9500 . ?
C16 C17 1.380(3) . ?
C16 H16A 0.9500 . ?
C17 C18 1.390(2) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
P1 C22 1.8544(16) . ?
P1 C19 1.8670(15) . ?
C19 C20 1.529(2) . ?
C19 C21 1.530(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 1.528(2) . ?
C22 C24 1.531(2) . ?
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 1.405(2) . ?
C25 C26 1.417(2) . ?
C26 C27 1.406(2) . ?
C26 P2 1.8407(15) . ?
C27 C28 1.392(2) . ?
C27 H27A 0.9500 . ?
C28 C29 1.374(3) . ?
C28 H28A 0.9500 . ?
C29 C30 1.393(2) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
P2 C31 1.8498(16) . ?
P2 C34 1.8640(15) . ?
C31 C32 1.528(2) . ?
C31 C33 1.531(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 C35 1.530(2) . ?
C34 C36 1.536(2) . ?
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 . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
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 . ?
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 . ?
C1U C2U 1.3900 . ?
C1U C6U 1.3900 . ?
C1U H1U 0.9500 . ?
C2U C3U 1.3900 . ?
C2U H2U 0.9500 . ?
C3U C4U 1.3900 . ?
C3U H3U 0.9500 . ?
C4U C5U 1.3900 . ?
C4U H4U 0.9500 . ?
C5U C6U 1.3900 . ?
C5U H5U 0.9500 . ?
C6U H6U 0.9500 . ?
C7S C9S 1.372(3) 2_776 ?
C7S C8S 1.383(3) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.382(3) . ?
C8S H8S 0.9500 . ?
C9S C7S 1.372(3) 2_776 ?
C9S H9S 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 161.913(13) . . ?
O1 B1 C1 103.68(12) . . ?
O1 B1 C13 108.36(11) . . ?
C1 B1 C13 114.91(12) . . ?
O1 B1 C12 104.11(11) . . ?
C1 B1 C12 113.07(11) . . ?
C13 B1 C12 111.68(12) . . ?
B1 O1 H1N 110(3) . . ?
B1 O1 H1O 110(4) . . ?
B1 O1 H1P 106(3) . . ?
C2 C1 C6 118.35(14) . . ?
C2 C1 B1 122.28(13) . . ?
C6 C1 B1 119.16(13) . . ?
C3 C2 C1 122.28(14) . . ?
C3 C2 H2A 118.9 . . ?
C1 C2 H2A 118.9 . . ?
C2 C3 C4 119.46(15) . . ?
C2 C3 H3A 120.3 . . ?
C4 C3 H3A 120.3 . . ?
C3 C4 C5 119.39(15) . . ?
C3 C4 H4A 120.3 . . ?
C5 C4 H4A 120.3 . . ?
C4 C5 C6 122.16(14) . . ?
C4 C5 H5A 118.9 . . ?
C6 C5 H5A 118.9 . . ?
C5 C6 C1 118.36(14) . . ?
C5 C6 B2 122.47(13) . . ?
C1 C6 B2 118.93(13) . . ?
O2 B2 C7 103.08(12) . . ?
O2 B2 C6 104.83(11) . . ?
C7 B2 C6 113.08(12) . . ?
O2 B2 C25 109.77(12) . . ?
C7 B2 C25 113.56(12) . . ?
C6 B2 C25 111.75(13) . . ?
B2 O2 H2N 110(3) . . ?
B2 O2 H2O 108(4) . . ?
B2 O2 H2P 106(4) . . ?
C8 C7 C12 118.59(14) . . ?
C8 C7 B2 121.88(13) . . ?
C12 C7 B2 119.40(13) . . ?
C9 C8 C7 121.79(14) . . ?
C9 C8 H8A 119.1 . . ?
C7 C8 H8A 119.1 . . ?
C8 C9 C10 119.72(15) . . ?
C8 C9 H9A 120.1 . . ?
C10 C9 H9A 120.1 . . ?
C11 C10 C9 119.42(15) . . ?
C11 C10 H10A 120.3 . . ?
C9 C10 H10A 120.3 . . ?
C10 C11 C12 122.12(14) . . ?
C10 C11 H11A 118.9 . . ?
C12 C11 H11A 118.9 . . ?
C11 C12 C7 118.30(13) . . ?
C11 C12 B1 122.86(13) . . ?
C7 C12 B1 118.67(13) . . ?
C18 C13 C14 116.09(13) . . ?
C18 C13 B1 120.33(13) . . ?
C14 C13 B1 123.45(12) . . ?
C15 C14 C13 120.65(13) . . ?
C15 C14 P1 117.33(12) . . ?
C13 C14 P1 122.00(10) . . ?
C16 C15 C14 121.15(16) . . ?
C16 C15 H15A 119.4 . . ?
C14 C15 H15A 119.4 . . ?
C17 C16 C15 119.13(15) . . ?
C17 C16 H16A 120.4 . . ?
C15 C16 H16A 120.4 . . ?
C16 C17 C18 120.03(15) . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C17 C18 C13 122.93(16) . . ?
C17 C18 H18A 118.5 . . ?
C13 C18 H18A 118.5 . . ?
C14 P1 C22 104.42(7) . . ?
C14 P1 C19 103.31(7) . . ?
C22 P1 C19 107.07(7) . . ?
C14 P1 Au1 120.01(5) . . ?
C22 P1 Au1 110.59(5) . . ?
C19 P1 Au1 110.52(5) . . ?
C20 C19 C21 110.54(14) . . ?
C20 C19 P1 115.54(12) . . ?
C21 C19 P1 112.52(10) . . ?
C20 C19 H19A 105.8 . . ?
C21 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 110.41(13) . . ?
C23 C22 P1 110.52(11) . . ?
C24 C22 P1 110.89(11) . . ?
C23 C22 H22A 108.3 . . ?
C24 C22 H22A 108.3 . . ?
P1 C22 H22A 108.3 . . ?
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 116.05(14) . . ?
C30 C25 B2 120.30(14) . . ?
C26 C25 B2 123.52(13) . . ?
C27 C26 C25 120.51(14) . . ?
C27 C26 P2 116.67(12) . . ?
C25 C26 P2 122.78(11) . . ?
C28 C27 C26 121.11(16) . . ?
C28 C27 H27A 119.4 . . ?
C26 C27 H27A 119.4 . . ?
C29 C28 C27 119.27(15) . . ?
C29 C28 H28A 120.4 . . ?
C27 C28 H28A 120.4 . . ?
C28 C29 C30 119.90(16) . . ?
C28 C29 H29A 120.1 . . ?
C30 C29 H29A 120.1 . . ?
C29 C30 C25 123.09(16) . . ?
C29 C30 H30A 118.5 . . ?
C25 C30 H30A 118.5 . . ?
C26 P2 C31 104.90(8) . . ?
C26 P2 C34 103.22(7) . . ?
C31 P2 C34 106.78(7) . . ?
C26 P2 Au1 119.64(5) . . ?
C31 P2 Au1 109.56(5) . . ?
C34 P2 Au1 111.82(5) . . ?
C32 C31 C33 111.04(15) . . ?
C32 C31 P2 109.29(12) . . ?
C33 C31 P2 110.66(12) . . ?
C32 C31 H31A 108.6 . . ?
C33 C31 H31A 108.6 . . ?
P2 C31 H31A 108.6 . . ?
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 110.56(13) . . ?
C35 C34 P2 111.96(10) . . ?
C36 C34 P2 115.03(11) . . ?
C35 C34 H34A 106.2 . . ?
C36 C34 H34A 106.2 . . ?
P2 C34 H34A 106.2 . . ?
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 . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S H1S 120.0 . . ?
C6S C1S H1S 120.0 . . ?
C1S C2S C3S 120.0 . . ?
C1S C2S H2S 120.0 . . ?
C3S C2S H2S 120.0 . . ?
C4S C3S C2S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C5S C4S C3S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C4S C5S C6S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C1S C6S H6S 120.0 . . ?
C2T C1T C6T 120.0 . . ?
C2T C1T H1T 120.0 . . ?
C6T C1T H1T 120.0 . . ?
C1T C2T C3T 120.0 . . ?
C1T C2T H2T 120.0 . . ?
C3T 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 . . ?
C4T C5T C6T 120.0 . . ?
C4T C5T H5T 120.0 . . ?
C6T C5T H5T 120.0 . . ?
C5T C6T C1T 120.0 . . ?
C5T C6T H6T 120.0 . . ?
C1T C6T H6T 120.0 . . ?
C2U C1U C6U 120.0 . . ?
C2U C1U H1U 120.0 . . ?
C6U C1U H1U 120.0 . . ?
C3U C2U C1U 120.0 . . ?
C3U C2U H2U 120.0 . . ?
C1U C2U H2U 120.0 . . ?
C2U C3U C4U 120.0 . . ?
C2U C3U H3U 120.0 . . ?
C4U C3U H3U 120.0 . . ?
C5U C4U C3U 120.0 . . ?
C5U C4U H4U 120.0 . . ?
C3U C4U H4U 120.0 . . ?
C4U C5U C6U 120.0 . . ?
C4U C5U H5U 120.0 . . ?
C6U C5U H5U 120.0 . . ?
C5U C6U C1U 120.0 . . ?
C5U C6U H6U 120.0 . . ?
C1U C6U H6U 120.0 . . ?
C9S C7S C8S 120.54(17) 2_776 . ?
C9S C7S H7S 119.7 2_776 . ?
C8S C7S H7S 119.7 . . ?
C9S C8S C7S 119.81(18) . . ?
C9S C8S H8S 120.1 . . ?
C7S C8S H8S 120.1 . . ?
C7S C9S C8S 119.65(19) 2_776 . ?
C7S C9S H9S 120.2 2_776 . ?
C8S C9S H9S 120.2 . . ?

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 B1 C1 C2 -94.80(15) . . . . ?
C13 B1 C1 C2 23.26(19) . . . . ?
C12 B1 C1 C2 153.10(13) . . . . ?
O1 B1 C1 C6 79.82(15) . . . . ?
C13 B1 C1 C6 -162.12(12) . . . . ?
C12 B1 C1 C6 -32.29(18) . . . . ?
C6 C1 C2 C3 0.9(2) . . . . ?
B1 C1 C2 C3 175.60(14) . . . . ?
C1 C2 C3 C4 -0.5(2) . . . . ?
C2 C3 C4 C5 0.0(3) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C4 C5 C6 C1 0.3(2) . . . . ?
C4 C5 C6 B2 -174.03(15) . . . . ?
C2 C1 C6 C5 -0.8(2) . . . . ?
B1 C1 C6 C5 -175.63(13) . . . . ?
C2 C1 C6 B2 173.74(13) . . . . ?
B1 C1 C6 B2 -1.09(19) . . . . ?
C5 C6 B2 O2 96.12(16) . . . . ?
C1 C6 B2 O2 -78.18(15) . . . . ?
C5 C6 B2 C7 -152.33(14) . . . . ?
C1 C6 B2 C7 33.37(18) . . . . ?
C5 C6 B2 C25 -22.71(19) . . . . ?
C1 C6 B2 C25 162.99(13) . . . . ?
O2 B2 C7 C8 -95.12(15) . . . . ?
C6 B2 C7 C8 152.26(13) . . . . ?
C25 B2 C7 C8 23.57(19) . . . . ?
O2 B2 C7 C12 80.62(15) . . . . ?
C6 B2 C7 C12 -32.00(18) . . . . ?
C25 B2 C7 C12 -160.69(12) . . . . ?
C12 C7 C8 C9 2.7(2) . . . . ?
B2 C7 C8 C9 178.44(14) . . . . ?
C7 C8 C9 C10 -2.2(2) . . . . ?
C8 C9 C10 C11 -0.1(2) . . . . ?
C9 C10 C11 C12 2.0(2) . . . . ?
C10 C11 C12 C7 -1.5(2) . . . . ?
C10 C11 C12 B1 -176.59(14) . . . . ?
C8 C7 C12 C11 -0.8(2) . . . . ?
B2 C7 C12 C11 -176.71(13) . . . . ?
C8 C7 C12 B1 174.51(12) . . . . ?
B2 C7 C12 B1 -1.37(18) . . . . ?
O1 B1 C12 C11 96.92(15) . . . . ?
C1 B1 C12 C11 -151.24(13) . . . . ?
C13 B1 C12 C11 -19.78(18) . . . . ?
O1 B1 C12 C7 -78.19(15) . . . . ?
C1 B1 C12 C7 33.65(17) . . . . ?
C13 B1 C12 C7 165.10(12) . . . . ?
O1 B1 C13 C18 -2.93(19) . . . . ?
C1 B1 C13 C18 -118.33(15) . . . . ?
C12 B1 C13 C18 111.16(15) . . . . ?
O1 B1 C13 C14 -178.60(13) . . . . ?
C1 B1 C13 C14 66.01(19) . . . . ?
C12 B1 C13 C14 -64.50(18) . . . . ?
C18 C13 C14 C15 -1.8(2) . . . . ?
B1 C13 C14 C15 174.06(14) . . . . ?
C18 C13 C14 P1 176.57(12) . . . . ?
B1 C13 C14 P1 -7.6(2) . . . . ?
C13 C14 C15 C16 0.6(2) . . . . ?
P1 C14 C15 C16 -177.79(13) . . . . ?
C14 C15 C16 C17 1.0(3) . . . . ?
C15 C16 C17 C18 -1.4(3) . . . . ?
C16 C17 C18 C13 0.2(3) . . . . ?
C14 C13 C18 C17 1.4(2) . . . . ?
B1 C13 C18 C17 -174.58(16) . . . . ?
C15 C14 P1 C22 -40.06(14) . . . . ?
C13 C14 P1 C22 141.55(13) . . . . ?
C15 C14 P1 C19 71.80(13) . . . . ?
C13 C14 P1 C19 -106.59(13) . . . . ?
C15 C14 P1 Au1 -164.66(10) . . . . ?
C13 C14 P1 Au1 16.95(15) . . . . ?
C14 P1 C19 C20 -78.94(13) . . . . ?
C22 P1 C19 C20 30.96(14) . . . . ?
Au1 P1 C19 C20 151.48(11) . . . . ?
C14 P1 C19 C21 152.82(12) . . . . ?
C22 P1 C19 C21 -97.28(13) . . . . ?
Au1 P1 C19 C21 23.24(13) . . . . ?
C14 P1 C22 C23 177.13(11) . . . . ?
C19 P1 C22 C23 68.00(12) . . . . ?
Au1 P1 C22 C23 -52.46(12) . . . . ?
C14 P1 C22 C24 -60.09(12) . . . . ?
C19 P1 C22 C24 -169.22(11) . . . . ?
Au1 P1 C22 C24 70.32(12) . . . . ?
O2 B2 C25 C30 -6.5(2) . . . . ?
C7 B2 C25 C30 -121.25(15) . . . . ?
C6 B2 C25 C30 109.38(16) . . . . ?
O2 B2 C25 C26 177.95(14) . . . . ?
C7 B2 C25 C26 63.18(19) . . . . ?
C6 B2 C25 C26 -66.19(18) . . . . ?
C30 C25 C26 C27 -3.2(2) . . . . ?
B2 C25 C26 C27 172.52(14) . . . . ?
C30 C25 C26 P2 174.10(12) . . . . ?
B2 C25 C26 P2 -10.1(2) . . . . ?
C25 C26 C27 C28 2.0(2) . . . . ?
P2 C26 C27 C28 -175.54(13) . . . . ?
C26 C27 C28 C29 0.4(3) . . . . ?
C27 C28 C29 C30 -1.4(3) . . . . ?
C28 C29 C30 C25 -0.1(3) . . . . ?
C26 C25 C30 C29 2.4(2) . . . . ?
B2 C25 C30 C29 -173.54(15) . . . . ?
C27 C26 P2 C31 -41.87(14) . . . . ?
C25 C26 P2 C31 140.70(13) . . . . ?
C27 C26 P2 C34 69.80(13) . . . . ?
C25 C26 P2 C34 -107.63(13) . . . . ?
C27 C26 P2 Au1 -165.24(10) . . . . ?
C25 C26 P2 Au1 17.33(15) . . . . ?
C26 P2 C31 C32 -61.74(13) . . . . ?
C34 P2 C31 C32 -170.84(11) . . . . ?
Au1 P2 C31 C32 67.88(12) . . . . ?
C26 P2 C31 C33 175.68(12) . . . . ?
C34 P2 C31 C33 66.58(13) . . . . ?
Au1 P2 C31 C33 -54.70(12) . . . . ?
C26 P2 C34 C35 155.52(11) . . . . ?
C31 P2 C34 C35 -94.20(12) . . . . ?
Au1 P2 C34 C35 25.63(12) . . . . ?
C26 P2 C34 C36 -77.17(13) . . . . ?
C31 P2 C34 C36 33.11(13) . . . . ?
Au1 P2 C34 C36 152.94(10) . . . . ?
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 . . . . ?
C6T C1T C2T C3T 0.0 . . . . ?
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 . . . . ?
C6U C1U C2U C3U 0.0 . . . . ?
C1U C2U C3U C4U 0.0 . . . . ?
C2U C3U C4U C5U 0.0 . . . . ?
C3U C4U C5U C6U 0.0 . . . . ?
C4U C5U C6U C1U 0.0 . . . . ?
C2U C1U C6U C5U 0.0 . . . . ?
C9S C7S C8S C9S -0.2(3) 2_776 . . . ?
C7S C8S C9S C7S 0.2(3) . . . 2_776 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1N O2 0.845(10) 1.690(13) 2.5221(18) 168(4) 2_667
O1 H1P O2 0.847(10) 2.09(2) 2.8665(16) 152(4) .
O2 H2O O1 0.844(10) 1.701(18) 2.5221(18) 163(5) 2_667
O2 H2P O1 0.845(10) 2.12(3) 2.8665(16) 147(5) .

_refine_diff_density_max         1.164
_refine_diff_density_min         -0.398
_refine_diff_density_rms         0.059

_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_hh207JT102_0m
_database_code_depnum_ccdc_archive 'CCDC 2018632'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C53 H81 Au B2 K O8.50 P2'
_chemical_formula_weight         1173.80

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                   12.4601(4)
_cell_length_b                   27.1704(10)
_cell_length_c                   16.4408(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.0898(6)
_cell_angle_gamma                90
_cell_volume                     5551.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9047
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      31.45

_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    1.404
_exptl_crystal_F_000             2420
_exptl_transmission_factor_min   0.550
_exptl_transmission_factor_max   0.746
_exptl_crystal_size_max          0.425
_exptl_crystal_size_mid          0.339
_exptl_crystal_size_min          0.115
_exptl_absorpt_coefficient_mu    2.833
_shelx_estimated_absorpt_T_min   0.379
_shelx_estimated_absorpt_T_max   0.736
_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            121598
_diffrn_reflns_av_unetI/netI     0.0177
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.499
_diffrn_reflns_theta_max         29.130
_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             14933
_reflns_number_gt                13313
_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)+(0.0192P)²+5.4323P] 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         14933
_refine_ls_number_parameters     700
_refine_ls_number_restraints     472
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0213
_refine_ls_wR_factor_ref         0.0498
_refine_ls_wR_factor_gt          0.0479
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.058
_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 0.90010(2) 0.24062(2) 0.91117(2) 0.01485(2) Uani 1 1 d . . . . .
K1 K 0.70740(4) 0.43819(2) 0.91480(3) 0.03333(11) Uani 1 1 d . . . . .
O1C O 0.74995(15) 0.51955(7) 0.79581(10) 0.0403(4) Uani 1 1 d . . . . .
C1C C 0.8563(2) 0.53721(10) 0.81517(16) 0.0391(6) Uani 1 1 d . . . . .
H1A H 0.8749 0.5621 0.7746 0.047 Uiso 1 1 calc R U . . .
H1B H 0.9082 0.5097 0.8135 0.047 Uiso 1 1 calc R U . . .
C2C C 0.86305(18) 0.55957(8) 0.89828(14) 0.0302(5) Uani 1 1 d . . . . .
H2A H 0.9336 0.5759 0.9094 0.036 Uiso 1 1 calc R U . . .
H2B H 0.8058 0.5846 0.9020 0.036 Uiso 1 1 calc R U . . .
O2C O 0.85027(12) 0.52153(5) 0.95636(9) 0.0263(3) Uani 1 1 d . . . . .
C3C C 0.87360(17) 0.53931(8) 1.03736(13) 0.0282(4) Uani 1 1 d . . . . .
H3A H 0.8315 0.5695 1.0461 0.034 Uiso 1 1 calc R U . . .
H3B H 0.9510 0.5475 1.0460 0.034 Uiso 1 1 calc R U . . .
C4C C 0.84495(18) 0.50019(9) 1.09609(14) 0.0314(5) Uani 1 1 d . . . . .
H4A H 0.8852 0.4696 1.0861 0.038 Uiso 1 1 calc R U . . .
H4B H 0.8640 0.5111 1.1528 0.038 Uiso 1 1 calc R U . . .
O3C O 0.73252(13) 0.49141(6) 1.08462(11) 0.0345(4) Uani 1 1 d . . . . .
C5C C 0.6978(2) 0.45319(10) 1.13587(19) 0.0470(7) Uani 1 1 d . . . . .
H5A H 0.7167 0.4613 1.1938 0.056 Uiso 1 1 calc R U . . .
H5B H 0.7331 0.4218 1.1231 0.056 Uiso 1 1 calc R U . . .
C6C C 0.5777(2) 0.44868(10) 1.1204(2) 0.0585(9) Uani 1 1 d . . . . .
H6A H 0.5485 0.4277 1.1629 0.070 Uiso 1 1 calc R U . . .
H6B H 0.5440 0.4816 1.1229 0.070 Uiso 1 1 calc R U . . .
O4C O 0.55370(14) 0.42792(7) 1.04387(16) 0.0568(6) Uani 1 1 d . . . . .
C7C C 0.4413(2) 0.43021(11) 1.0212(3) 0.0755(13) Uani 1 1 d . . . . .
H7A H 0.4186 0.4650 1.0148 0.091 Uiso 1 1 calc R U . . .
H7B H 0.4006 0.4152 1.0645 0.091 Uiso 1 1 calc R U . . .
C8C C 0.4176(2) 0.40377(11) 0.9441(3) 0.0886(16) Uani 1 1 d . . . . .
H8A H 0.4430 0.3693 0.9496 0.106 Uiso 1 1 calc R U . . .
H8B H 0.3390 0.4033 0.9301 0.106 Uiso 1 1 calc R U . . .
O5C O 0.47066(16) 0.42799(7) 0.88158(18) 0.0707(8) Uani 1 1 d . . . . .
C9C C 0.4388(3) 0.40903(13) 0.8035(3) 0.0974(18) Uani 1 1 d . . . . .
H9A H 0.3597 0.4047 0.7978 0.117 Uiso 1 1 calc R U . . .
H9B H 0.4728 0.3766 0.7961 0.117 Uiso 1 1 calc R U . . .
C10C C 0.4725(3) 0.44386(14) 0.7419(3) 0.0937(18) Uani 1 1 d . . . . .
H10A H 0.4520 0.4310 0.6867 0.112 Uiso 1 1 calc R U . . .
H10B H 0.4358 0.4758 0.7481 0.112 Uiso 1 1 calc R U . . .
O6C O 0.5859(2) 0.45061(9) 0.75166(17) 0.0742(8) Uani 1 1 d . . . . .
C11C C 0.6221(3) 0.48620(15) 0.6969(2) 0.0848(15) Uani 1 1 d . . . . .
H11A H 0.5803 0.5170 0.7009 0.102 Uiso 1 1 calc R U . . .
H11B H 0.6116 0.4739 0.6402 0.102 Uiso 1 1 calc R U . . .
C12C C 0.7395(3) 0.49622(13) 0.71805(19) 0.0645(10) Uani 1 1 d . . . . .
H12A H 0.7805 0.4650 0.7197 0.077 Uiso 1 1 calc R U . . .
H12B H 0.7684 0.5178 0.6763 0.077 Uiso 1 1 calc R U . . .
B1 B 0.90170(17) 0.35005(8) 0.82393(12) 0.0172(4) Uani 1 1 d . . . . .
O1 O 0.88854(12) 0.40600(5) 0.82682(9) 0.0238(3) Uani 1 1 d . . . . .
H1O H 0.947(2) 0.4173(10) 0.8221(15) 0.029 Uiso 1 1 d . U . . .
C1 C 0.79333(14) 0.32877(7) 0.86189(11) 0.0165(3) Uani 1 1 d . . . . .
C2 C 0.70024(16) 0.31721(7) 0.81232(12) 0.0227(4) Uani 1 1 d . . . . .
H2 H 0.7024 0.3195 0.7548 0.027 Uiso 1 1 calc R U . . .
C3 C 0.60535(16) 0.30261(8) 0.84429(13) 0.0273(4) Uani 1 1 d . . . . .
H3 H 0.5449 0.2935 0.8089 0.033 Uiso 1 1 calc R U . . .
C4 C 0.59901(16) 0.30128(8) 0.92812(13) 0.0263(4) Uani 1 1 d . . . . .
H4 H 0.5339 0.2920 0.9507 0.032 Uiso 1 1 calc R U . . .
C5 C 0.68927(15) 0.31363(7) 0.97884(12) 0.0205(4) Uani 1 1 d . . . . .
H5 H 0.6838 0.3138 1.0362 0.025 Uiso 1 1 calc R U . . .
C6 C 0.78839(14) 0.32589(7) 0.94799(11) 0.0157(3) Uani 1 1 d . . . . .
B2 B 0.89280(16) 0.34186(8) 1.00756(12) 0.0161(4) Uani 1 1 d . . . . .
O2 O 0.88773(12) 0.39719(5) 1.01442(9) 0.0247(3) Uani 1 1 d . . . . .
H2O H 0.907(2) 0.4102(9) 0.9662(16) 0.030 Uiso 1 1 d . U . . .
C7 C 1.00503(14) 0.32856(7) 0.96573(11) 0.0162(3) Uani 1 1 d . . . . .
C8 C 1.10076(15) 0.31655(7) 1.01205(12) 0.0212(4) Uani 1 1 d . . . . .
H8 H 1.0983 0.3115 1.0691 0.025 Uiso 1 1 calc R U . . .
C9 C 1.19899(16) 0.31181(8) 0.97732(13) 0.0252(4) Uani 1 1 d . . . . .
H9 H 1.2619 0.3031 1.0102 0.030 Uiso 1 1 calc R U . . .
C10 C 1.20424(15) 0.31987(8) 0.89441(13) 0.0244(4) Uani 1 1 d . . . . .
H10 H 1.2709 0.3171 0.8701 0.029 Uiso 1 1 calc R U . . .
C11 C 1.11091(15) 0.33200(7) 0.84705(12) 0.0207(4) Uani 1 1 d . . . . .
H11 H 1.1155 0.3382 0.7905 0.025 Uiso 1 1 calc R U . . .
C12 C 1.00984(14) 0.33540(7) 0.88005(11) 0.0167(3) Uani 1 1 d . . . . .
C13 C 0.90662(16) 0.33136(7) 0.72884(11) 0.0209(4) Uani 1 1 d . . . . .
C14 C 0.91692(16) 0.28199(8) 0.70344(11) 0.0210(4) Uani 1 1 d . . . . .
C15 C 0.91137(19) 0.26965(8) 0.62009(12) 0.0276(4) Uani 1 1 d . . . . .
H15 H 0.9181 0.2362 0.6046 0.033 Uiso 1 1 calc R U . . .
C16 C 0.8962(2) 0.30548(9) 0.56006(12) 0.0331(5) Uani 1 1 d . . . . .
H16 H 0.8917 0.2968 0.5040 0.040 Uiso 1 1 calc R U . . .
C17 C 0.8879(2) 0.35396(9) 0.58357(13) 0.0340(5) Uani 1 1 d . . . . .
H17 H 0.8789 0.3791 0.5435 0.041 Uiso 1 1 calc R U . . .
C18 C 0.89262(18) 0.36608(8) 0.66569(12) 0.0281(4) Uani 1 1 d . . . . .
H18 H 0.8861 0.3998 0.6800 0.034 Uiso 1 1 calc R U . . .
P1 P 0.93977(4) 0.23106(2) 0.77651(3) 0.01756(9) Uani 1 1 d . . . . .
C19 C 1.08422(16) 0.21532(7) 0.76943(12) 0.0223(4) Uani 1 1 d . . . . .
H19 H 1.1226 0.2475 0.7659 0.027 Uiso 1 1 calc R U . . .
C20 C 1.13345(18) 0.19037(9) 0.84693(14) 0.0321(5) Uani 1 1 d . . . . .
H20A H 1.0978 0.1587 0.8543 0.048 Uiso 1 1 calc R U . . .
H20B H 1.1237 0.2115 0.8941 0.048 Uiso 1 1 calc R U . . .
H20C H 1.2104 0.1849 0.8419 0.048 Uiso 1 1 calc R U . . .
C21 C 1.10815(19) 0.18698(10) 0.69259(14) 0.0362(5) Uani 1 1 d . . . . .
H21A H 1.1862 0.1841 0.6897 0.054 Uiso 1 1 calc R U . . .
H21B H 1.0773 0.2046 0.6444 0.054 Uiso 1 1 calc R U . . .
H21C H 1.0763 0.1540 0.6943 0.054 Uiso 1 1 calc R U . . .
C22 C 0.85867(17) 0.17951(8) 0.73111(12) 0.0239(4) Uani 1 1 d . . . . .
H22 H 0.8819 0.1732 0.6751 0.029 Uiso 1 1 calc R U . . .
C23 C 0.73978(18) 0.19379(9) 0.72397(13) 0.0307(5) Uani 1 1 d . . . . .
H23A H 0.6969 0.1660 0.7018 0.046 Uiso 1 1 calc R U . . .
H23B H 0.7293 0.2222 0.6875 0.046 Uiso 1 1 calc R U . . .
H23C H 0.7169 0.2023 0.7780 0.046 Uiso 1 1 calc R U . . .
C24 C 0.87534(19) 0.13222(8) 0.78132(13) 0.0288(4) Uani 1 1 d . . . . .
H24A H 0.8517 0.1376 0.8362 0.043 Uiso 1 1 calc R U . . .
H24B H 0.9518 0.1234 0.7850 0.043 Uiso 1 1 calc R U . . .
H24C H 0.8332 0.1055 0.7548 0.043 Uiso 1 1 calc R U . . .
C25 C 0.89328(14) 0.31916(7) 1.10000(11) 0.0178(3) Uani 1 1 d . . . . .
C26 C 0.88386(15) 0.26900(7) 1.12114(11) 0.0196(4) Uani 1 1 d . . . . .
C27 C 0.89049(18) 0.25407(8) 1.20332(12) 0.0266(4) Uani 1 1 d . . . . .
H27 H 0.8833 0.2202 1.2159 0.032 Uiso 1 1 calc R U . . .
C28 C 0.90731(18) 0.28775(9) 1.26623(12) 0.0299(5) Uani 1 1 d . . . . .
H28 H 0.9116 0.2772 1.3214 0.036 Uiso 1 1 calc R U . . .
C29 C 0.91776(17) 0.33692(9) 1.24730(12) 0.0279(4) Uani 1 1 d . . . . .
H29 H 0.9300 0.3605 1.2896 0.033 Uiso 1 1 calc R U . . .
C30 C 0.91041(15) 0.35190(8) 1.16608(11) 0.0221(4) Uani 1 1 d . . . . .
H30 H 0.9173 0.3860 1.1546 0.027 Uiso 1 1 calc R U . . .
P2 P 0.86602(4) 0.22050(2) 1.04366(3) 0.01794(9) Uani 1 1 d . . . . .
C31 C 0.95795(18) 0.17076(8) 1.08227(12) 0.0259(4) Uani 1 1 d . . . . .
H31 H 0.9367 0.1605 1.1373 0.031 Uiso 1 1 calc R U . . .
C32 C 1.07343(18) 0.18963(9) 1.09120(13) 0.0328(5) Uani 1 1 d . . . . .
H32A H 1.1214 0.1630 1.1113 0.049 Uiso 1 1 calc R U . . .
H32B H 1.0783 0.2171 1.1300 0.049 Uiso 1 1 calc R U . . .
H32C H 1.0948 0.2009 1.0381 0.049 Uiso 1 1 calc R U . . .
C33 C 0.9493(2) 0.12589(8) 1.02566(14) 0.0347(5) Uani 1 1 d . . . . .
H33A H 0.9655 0.1358 0.9705 0.052 Uiso 1 1 calc R U . . .
H33B H 0.8761 0.1125 1.0243 0.052 Uiso 1 1 calc R U . . .
H33C H 1.0007 0.1007 1.0459 0.052 Uiso 1 1 calc R U . . .
C34 C 0.72594(17) 0.19768(8) 1.05160(12) 0.0251(4) Uani 1 1 d . . . . .
H34 H 0.6812 0.2278 1.0583 0.030 Uiso 1 1 calc R U . . .
C35 C 0.7088(2) 0.16562(10) 1.12598(15) 0.0388(6) Uani 1 1 d . . . . .
H35A H 0.6319 0.1585 1.1280 0.058 Uiso 1 1 calc R U . . .
H35B H 0.7348 0.1831 1.1757 0.058 Uiso 1 1 calc R U . . .
H35C H 0.7486 0.1347 1.1219 0.058 Uiso 1 1 calc R U . . .
C36 C 0.67984(18) 0.17337(9) 0.97275(14) 0.0325(5) Uani 1 1 d . . . . .
H36A H 0.7209 0.1435 0.9626 0.049 Uiso 1 1 calc R U . . .
H36B H 0.6848 0.1963 0.9272 0.049 Uiso 1 1 calc R U . . .
H36C H 0.6043 0.1647 0.9780 0.049 Uiso 1 1 calc R U . . .
C1S C 0.3448(12) 0.5374(7) 0.5551(10) 0.150(4) Uani 0.5 1 d D U P A 1
H1C H 0.3645 0.5099 0.5205 0.225 Uiso 0.5 1 calc R U P A 1
H1D H 0.4052 0.5450 0.5947 0.225 Uiso 0.5 1 calc R U P A 1
H1E H 0.3279 0.5664 0.5211 0.225 Uiso 0.5 1 calc R U P A 1
C2S C 0.2451(10) 0.5230(6) 0.6012(8) 0.143(4) Uani 0.5 1 d D U P A 1
H2C H 0.2063 0.5526 0.6182 0.172 Uiso 0.5 1 calc R U P A 1
H2D H 0.2664 0.5030 0.6500 0.172 Uiso 0.5 1 calc R U P A 1
C3S C 0.1745(9) 0.4925(7) 0.5379(7) 0.150(5) Uani 0.5 1 d D U P A 1
H3C H 0.1449 0.5137 0.4927 0.180 Uiso 0.5 1 calc R U P A 1
H3D H 0.2169 0.4657 0.5149 0.180 Uiso 0.5 1 calc R U P A 1
C4S C 0.0830(8) 0.4713(4) 0.5866(9) 0.160(4) Uani 0.5 1 d D U P A 1
H4C H 0.0203 0.4626 0.5490 0.192 Uiso 0.5 1 calc R U P A 1
H4D H 0.1080 0.4413 0.6162 0.192 Uiso 0.5 1 calc R U P A 1
C5S C 0.0523(13) 0.5091(6) 0.6448(6) 0.165(5) Uani 0.5 1 d D U P A 1
H5C H 0.1174 0.5221 0.6756 0.198 Uiso 0.5 1 calc R U P A 1
H5D H 0.0048 0.4945 0.6841 0.198 Uiso 0.5 1 calc R U P A 1
C6S C -0.0071(11) 0.5512(4) 0.5973(7) 0.150(4) Uani 0.5 1 d D U P A 1
H6C H 0.0370 0.5629 0.5542 0.225 Uiso 0.5 1 calc R U P A 1
H6D H -0.0198 0.5783 0.6347 0.225 Uiso 0.5 1 calc R U P A 1
H6E H -0.0761 0.5390 0.5729 0.225 Uiso 0.5 1 calc R U P A 1
O1T O 0.3265(13) 0.5500(6) 0.5827(12) 0.120(5) Uani 0.25 1 d D U P B 2
C1T C 0.2987(18) 0.5078(8) 0.5334(14) 0.147(6) Uani 0.25 1 d D U P B 2
H1F H 0.3622 0.4866 0.5275 0.176 Uiso 0.25 1 calc R U P B 2
H1G H 0.2683 0.5177 0.4786 0.176 Uiso 0.25 1 calc R U P B 2
C2T C 0.213(2) 0.4811(6) 0.5814(18) 0.144(6) Uani 0.25 1 d D U P B 2
H2E H 0.1686 0.4584 0.5460 0.173 Uiso 0.25 1 calc R U P B 2
H2F H 0.2467 0.4626 0.6286 0.173 Uiso 0.25 1 calc R U P B 2
C3T C 0.1477(14) 0.5253(9) 0.6088(17) 0.137(5) Uani 0.25 1 d D U P B 2
H3E H 0.0901 0.5341 0.5667 0.165 Uiso 0.25 1 calc R U P B 2
H3F H 0.1150 0.5182 0.6607 0.165 Uiso 0.25 1 calc R U P B 2
C4T C 0.2300(16) 0.5654(6) 0.6195(13) 0.105(4) Uani 0.25 1 d D U P B 2
H4E H 0.2017 0.5960 0.5932 0.126 Uiso 0.25 1 calc R U P B 2
H4F H 0.2465 0.5722 0.6782 0.126 Uiso 0.25 1 calc R U P B 2
O1U O 0.1952(16) 0.5224(5) 0.5627(8) 0.124(4) Uani 0.25 1 d D U P C 3
C1U C 0.2053(15) 0.4797(7) 0.6174(13) 0.121(5) Uani 0.25 1 d D U P C 3
H1H H 0.2624 0.4850 0.6615 0.145 Uiso 0.25 1 calc R U P C 3
H1I H 0.2220 0.4495 0.5870 0.145 Uiso 0.25 1 calc R U P C 3
C2U C 0.0949(15) 0.4758(5) 0.6518(10) 0.099(3) Uani 0.25 1 d D U P C 3
H2G H 0.0985 0.4579 0.7043 0.119 Uiso 0.25 1 calc R U P C 3
H2H H 0.0416 0.4599 0.6128 0.119 Uiso 0.25 1 calc R U P C 3
C3U C 0.0703(14) 0.5308(6) 0.6628(11) 0.099(3) Uani 0.25 1 d D U P C 3
H3G H -0.0011 0.5395 0.6363 0.119 Uiso 0.25 1 calc R U P C 3
H3H H 0.0719 0.5396 0.7213 0.119 Uiso 0.25 1 calc R U P C 3
C4U C 0.1589(18) 0.5566(5) 0.6217(11) 0.105(4) Uani 0.25 1 d D U P C 3
H4G H 0.1316 0.5870 0.5946 0.126 Uiso 0.25 1 calc R U P C 3
H4H H 0.2186 0.5653 0.6621 0.126 Uiso 0.25 1 calc R U P C 3


_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 P2 2.3141(5) . ?
Au1 P1 2.3173(5) . ?
K1 O1 2.9012(16) . ?
K1 O2 2.9063(15) . ?
K1 O2C 2.9308(15) . ?
K1 O4C 2.971(2) . ?
K1 O5C 2.974(2) . ?
K1 O6C 3.004(2) . ?
K1 O1C 3.024(2) . ?
K1 O3C 3.1399(19) . ?
K1 C6 3.2476(18) . ?
K1 C1 3.2977(18) . ?
K1 H2O 2.68(2) . ?
O1C C1C 1.424(3) . ?
O1C C12C 1.425(3) . ?
C1C C2C 1.492(3) . ?
C1C H1A 0.9900 . ?
C1C H1B 0.9900 . ?
C2C O2C 1.424(3) . ?
C2C H2A 0.9900 . ?
C2C H2B 0.9900 . ?
O2C C3C 1.427(2) . ?
C3C C4C 1.496(3) . ?
C3C H3A 0.9900 . ?
C3C H3B 0.9900 . ?
C4C O3C 1.420(3) . ?
C4C H4A 0.9900 . ?
C4C H4B 0.9900 . ?
O3C C5C 1.424(3) . ?
C5C C6C 1.505(4) . ?
C5C H5A 0.9900 . ?
C5C H5B 0.9900 . ?
C6C O4C 1.392(4) . ?
C6C H6A 0.9900 . ?
C6C H6B 0.9900 . ?
O4C C7C 1.425(3) . ?
C7C C8C 1.468(6) . ?
C7C H7A 0.9900 . ?
C7C H7B 0.9900 . ?
C8C O5C 1.423(5) . ?
C8C H8A 0.9900 . ?
C8C H8B 0.9900 . ?
O5C C9C 1.413(5) . ?
C9C C10C 1.469(7) . ?
C9C H9A 0.9900 . ?
C9C H9B 0.9900 . ?
C10C O6C 1.422(4) . ?
C10C H10A 0.9900 . ?
C10C H10B 0.9900 . ?
O6C C11C 1.417(5) . ?
C11C C12C 1.503(5) . ?
C11C H11A 0.9900 . ?
C11C H11B 0.9900 . ?
C12C H12A 0.9900 . ?
C12C H12B 0.9900 . ?
B1 O1 1.530(3) . ?
B1 C12 1.627(3) . ?
B1 C1 1.633(3) . ?
B1 C13 1.649(3) . ?
O1 H1O 0.79(3) . ?
C1 C2 1.405(3) . ?
C1 C6 1.423(2) . ?
C2 C3 1.386(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.408(2) . ?
C5 H5 0.9500 . ?
C6 B2 1.630(3) . ?
B2 O2 1.509(3) . ?
B2 C25 1.640(3) . ?
B2 C7 1.642(3) . ?
O2 H2O 0.92(3) . ?
C7 C8 1.407(3) . ?
C7 C12 1.426(2) . ?
C8 C9 1.393(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.387(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.392(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.409(2) . ?
C11 H11 0.9500 . ?
C13 C18 1.404(3) . ?
C13 C14 1.413(3) . ?
C14 C15 1.408(3) . ?
C14 P1 1.841(2) . ?
C15 C16 1.390(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.379(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
P1 C22 1.853(2) . ?
P1 C19 1.862(2) . ?
C19 C21 1.527(3) . ?
C19 C20 1.532(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 1.528(3) . ?
C22 C24 1.533(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 1.408(3) . ?
C25 C26 1.414(3) . ?
C26 C27 1.407(3) . ?
C26 P2 1.835(2) . ?
C27 C28 1.386(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.380(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.393(3) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
P2 C31 1.854(2) . ?
P2 C34 1.866(2) . ?
C31 C32 1.525(3) . ?
C31 C33 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 1.530(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 . ?
C1S C2S 1.551(9) . ?
C1S H1C 0.9800 . ?
C1S H1D 0.9800 . ?
C1S H1E 0.9800 . ?
C2S C3S 1.553(9) . ?
C2S H2C 0.9900 . ?
C2S H2D 0.9900 . ?
C3S C4S 1.551(8) . ?
C3S H3C 0.9900 . ?
C3S H3D 0.9900 . ?
C4S C5S 1.472(9) . ?
C4S H4C 0.9900 . ?
C4S H4D 0.9900 . ?
C5S C6S 1.543(9) . ?
C5S H5C 0.9900 . ?
C5S H5D 0.9900 . ?
C6S H6C 0.9800 . ?
C6S H6D 0.9800 . ?
C6S H6E 0.9800 . ?
O1T C1T 1.432(10) . ?
O1T C4T 1.446(9) . ?
C1T C2T 1.551(10) . ?
C1T H1F 0.9900 . ?
C1T H1G 0.9900 . ?
C2T C3T 1.538(9) . ?
C2T H2E 0.9900 . ?
C2T H2F 0.9900 . ?
C3T C4T 1.500(9) . ?
C3T H3E 0.9900 . ?
C3T H3F 0.9900 . ?
C4T H4E 0.9900 . ?
C4T H4F 0.9900 . ?
O1U C4U 1.439(9) . ?
O1U C1U 1.468(9) . ?
C1U C2U 1.526(9) . ?
C1U H1H 0.9900 . ?
C1U H1I 0.9900 . ?
C2U C3U 1.539(9) . ?
C2U H2G 0.9900 . ?
C2U H2H 0.9900 . ?
C3U C4U 1.506(9) . ?
C3U H3G 0.9900 . ?
C3U H3H 0.9900 . ?
C4U H4G 0.9900 . ?
C4U H4H 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
P2 Au1 P1 159.850(18) . . ?
O1 K1 O2 64.39(4) . . ?
O1 K1 O2C 82.41(4) . . ?
O2 K1 O2C 74.48(4) . . ?
O1 K1 O4C 153.10(5) . . ?
O2 K1 O4C 94.21(6) . . ?
O2C K1 O4C 108.53(5) . . ?
O1 K1 O5C 132.61(6) . . ?
O2 K1 O5C 141.68(7) . . ?
O2C K1 O5C 133.85(5) . . ?
O4C K1 O5C 56.02(8) . . ?
O1 K1 O6C 87.08(6) . . ?
O2 K1 O6C 150.05(6) . . ?
O2C K1 O6C 112.36(7) . . ?
O4C K1 O6C 109.80(8) . . ?
O5C K1 O6C 54.29(9) . . ?
O1 K1 O1C 73.70(5) . . ?
O2 K1 O1C 118.73(5) . . ?
O2C K1 O1C 56.93(4) . . ?
O4C K1 O1C 133.03(5) . . ?
O5C K1 O1C 99.59(7) . . ?
O6C K1 O1C 55.98(7) . . ?
O1 K1 O3C 123.40(4) . . ?
O2 K1 O3C 69.60(4) . . ?
O2C K1 O3C 54.31(4) . . ?
O4C K1 O3C 55.72(5) . . ?
O5C K1 O3C 103.94(6) . . ?
O6C K1 O3C 138.96(5) . . ?
O1C K1 O3C 103.16(4) . . ?
O1 K1 C6 63.71(4) . . ?
O2 K1 C6 47.68(4) . . ?
O2C K1 C6 120.69(5) . . ?
O4C K1 C6 90.01(5) . . ?
O5C K1 C6 103.62(5) . . ?
O6C K1 C6 112.73(5) . . ?
O1C K1 C6 136.79(5) . . ?
O3C K1 C6 105.85(5) . . ?
O1 K1 C1 47.00(4) . . ?
O2 K1 C1 63.30(4) . . ?
O2C K1 C1 123.70(5) . . ?
O4C K1 C1 109.98(5) . . ?
O5C K1 C1 101.77(5) . . ?
O6C K1 C1 91.04(5) . . ?
O1C K1 C1 114.41(5) . . ?
O3C K1 C1 129.50(5) . . ?
C6 K1 C1 25.11(4) . . ?
O1 K1 H2O 48.3(5) . . ?
O2 K1 H2O 18.3(5) . . ?
O2C K1 H2O 67.1(5) . . ?
O4C K1 H2O 112.3(6) . . ?
O5C K1 H2O 156.6(6) . . ?
O6C K1 H2O 135.3(6) . . ?
O1C K1 H2O 102.1(6) . . ?
O3C K1 H2O 79.6(5) . . ?
C6 K1 H2O 53.8(5) . . ?
C1 K1 H2O 61.0(5) . . ?
C1C O1C C12C 112.0(2) . . ?
C1C O1C K1 107.76(13) . . ?
C12C O1C K1 104.25(19) . . ?
O1C C1C C2C 109.4(2) . . ?
O1C C1C H1A 109.8 . . ?
C2C C1C H1A 109.8 . . ?
O1C C1C H1B 109.8 . . ?
C2C C1C H1B 109.8 . . ?
H1A C1C H1B 108.2 . . ?
O2C C2C C1C 108.48(19) . . ?
O2C C2C H2A 110.0 . . ?
C1C C2C H2A 110.0 . . ?
O2C C2C H2B 110.0 . . ?
C1C C2C H2B 110.0 . . ?
H2A C2C H2B 108.4 . . ?
C2C O2C C3C 110.80(16) . . ?
C2C O2C K1 119.98(12) . . ?
C3C O2C K1 123.99(12) . . ?
O2C C3C C4C 108.64(17) . . ?
O2C C3C H3A 110.0 . . ?
C4C C3C H3A 110.0 . . ?
O2C C3C H3B 110.0 . . ?
C4C C3C H3B 110.0 . . ?
H3A C3C H3B 108.3 . . ?
O3C C4C C3C 108.19(18) . . ?
O3C C4C H4A 110.1 . . ?
C3C C4C H4A 110.1 . . ?
O3C C4C H4B 110.1 . . ?
C3C C4C H4B 110.1 . . ?
H4A C4C H4B 108.4 . . ?
C4C O3C C5C 112.47(19) . . ?
C4C O3C K1 103.31(12) . . ?
C5C O3C K1 100.08(15) . . ?
O3C C5C C6C 107.4(2) . . ?
O3C C5C H5A 110.2 . . ?
C6C C5C H5A 110.2 . . ?
O3C C5C H5B 110.2 . . ?
C6C C5C H5B 110.2 . . ?
H5A C5C H5B 108.5 . . ?
O4C C6C C5C 109.4(2) . . ?
O4C C6C H6A 109.8 . . ?
C5C C6C H6A 109.8 . . ?
O4C C6C H6B 109.8 . . ?
C5C C6C H6B 109.8 . . ?
H6A C6C H6B 108.2 . . ?
C6C O4C C7C 111.3(2) . . ?
C6C O4C K1 119.99(15) . . ?
C7C O4C K1 118.7(2) . . ?
O4C C7C C8C 109.7(3) . . ?
O4C C7C H7A 109.7 . . ?
C8C C7C H7A 109.7 . . ?
O4C C7C H7B 109.7 . . ?
C8C C7C H7B 109.7 . . ?
H7A C7C H7B 108.2 . . ?
O5C C8C C7C 108.8(2) . . ?
O5C C8C H8A 109.9 . . ?
C7C C8C H8A 109.9 . . ?
O5C C8C H8B 109.9 . . ?
C7C C8C H8B 109.9 . . ?
H8A C8C H8B 108.3 . . ?
C9C O5C C8C 111.9(3) . . ?
C9C O5C K1 114.3(2) . . ?
C8C O5C K1 114.6(2) . . ?
O5C C9C C10C 108.4(3) . . ?
O5C C9C H9A 110.0 . . ?
C10C C9C H9A 110.0 . . ?
O5C C9C H9B 110.0 . . ?
C10C C9C H9B 110.0 . . ?
H9A C9C H9B 108.4 . . ?
O6C C10C C9C 109.7(3) . . ?
O6C C10C H10A 109.7 . . ?
C9C C10C H10A 109.7 . . ?
O6C C10C H10B 109.7 . . ?
C9C C10C H10B 109.7 . . ?
H10A C10C H10B 108.2 . . ?
C11C O6C C10C 112.1(3) . . ?
C11C O6C K1 118.75(18) . . ?
C10C O6C K1 121.3(3) . . ?
O6C C11C C12C 109.0(3) . . ?
O6C C11C H11A 109.9 . . ?
C12C C11C H11A 109.9 . . ?
O6C C11C H11B 109.9 . . ?
C12C C11C H11B 109.9 . . ?
H11A C11C H11B 108.3 . . ?
O1C C12C C11C 108.3(3) . . ?
O1C C12C H12A 110.0 . . ?
C11C C12C H12A 110.0 . . ?
O1C C12C H12B 110.0 . . ?
C11C C12C H12B 110.0 . . ?
H12A C12C H12B 108.4 . . ?
O1 B1 C12 108.16(15) . . ?
O1 B1 C1 104.27(15) . . ?
C12 B1 C1 111.75(15) . . ?
O1 B1 C13 110.28(15) . . ?
C12 B1 C13 112.15(15) . . ?
C1 B1 C13 109.93(15) . . ?
B1 O1 K1 113.82(11) . . ?
B1 O1 H1O 106.3(19) . . ?
K1 O1 H1O 132.7(19) . . ?
C2 C1 C6 118.18(17) . . ?
C2 C1 B1 121.90(16) . . ?
C6 C1 B1 119.67(16) . . ?
C2 C1 K1 94.84(12) . . ?
C6 C1 K1 75.48(10) . . ?
B1 C1 K1 94.27(10) . . ?
C3 C2 C1 122.38(18) . . ?
C3 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
C2 C3 C4 119.68(18) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 119.22(18) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C4 C5 C6 122.20(18) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 118.19(16) . . ?
C5 C6 B2 121.96(16) . . ?
C1 C6 B2 119.57(15) . . ?
C5 C6 K1 90.74(11) . . ?
C1 C6 K1 79.42(10) . . ?
B2 C6 K1 94.36(10) . . ?
O2 B2 C6 105.91(15) . . ?
O2 B2 C25 107.63(15) . . ?
C6 B2 C25 113.99(15) . . ?
O2 B2 C7 106.98(15) . . ?
C6 B2 C7 110.90(14) . . ?
C25 B2 C7 111.01(15) . . ?
B2 O2 K1 111.99(11) . . ?
B2 O2 H2O 107.8(16) . . ?
K1 O2 H2O 66.4(16) . . ?
C8 C7 C12 118.10(16) . . ?
C8 C7 B2 122.60(16) . . ?
C12 C7 B2 118.82(15) . . ?
C9 C8 C7 122.37(18) . . ?
C9 C8 H8 118.8 . . ?
C7 C8 H8 118.8 . . ?
C10 C9 C8 119.52(18) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 119.41(18) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 122.27(18) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C11 C12 C7 118.25(17) . . ?
C11 C12 B1 121.62(16) . . ?
C7 C12 B1 120.03(15) . . ?
C18 C13 C14 115.36(17) . . ?
C18 C13 B1 118.88(17) . . ?
C14 C13 B1 125.63(16) . . ?
C15 C14 C13 120.96(18) . . ?
C15 C14 P1 116.79(16) . . ?
C13 C14 P1 122.25(14) . . ?
C16 C15 C14 121.3(2) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 118.64(19) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C16 C17 C18 120.1(2) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 123.7(2) . . ?
C17 C18 H18 118.2 . . ?
C13 C18 H18 118.2 . . ?
C14 P1 C22 104.53(9) . . ?
C14 P1 C19 103.72(9) . . ?
C22 P1 C19 107.64(9) . . ?
C14 P1 Au1 120.37(6) . . ?
C22 P1 Au1 108.80(6) . . ?
C19 P1 Au1 111.01(6) . . ?
C21 C19 C20 112.01(19) . . ?
C21 C19 P1 114.47(15) . . ?
C20 C19 P1 112.41(13) . . ?
C21 C19 H19 105.7 . . ?
C20 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 110.35(18) . . ?
C23 C22 P1 109.69(14) . . ?
C24 C22 P1 111.57(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 115.47(17) . . ?
C30 C25 B2 117.88(17) . . ?
C26 C25 B2 126.56(16) . . ?
C27 C26 C25 120.90(18) . . ?
C27 C26 P2 117.09(15) . . ?
C25 C26 P2 121.99(13) . . ?
C28 C27 C26 121.4(2) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C29 C28 C27 118.86(19) . . ?
C29 C28 H28 120.6 . . ?
C27 C28 H28 120.6 . . ?
C28 C29 C30 119.89(19) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C29 C30 C25 123.4(2) . . ?
C29 C30 H30 118.3 . . ?
C25 C30 H30 118.3 . . ?
C26 P2 C31 104.14(9) . . ?
C26 P2 C34 104.93(9) . . ?
C31 P2 C34 106.98(10) . . ?
C26 P2 Au1 117.55(6) . . ?
C31 P2 Au1 110.12(6) . . ?
C34 P2 Au1 112.32(7) . . ?
C32 C31 C33 110.55(18) . . ?
C32 C31 P2 110.10(15) . . ?
C33 C31 P2 110.90(15) . . ?
C32 C31 H31 108.4 . . ?
C33 C31 H31 108.4 . . ?
P2 C31 H31 108.4 . . ?
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 111.48(19) . . ?
C35 C34 P2 115.49(16) . . ?
C36 C34 P2 112.38(14) . . ?
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 . . ?
C2S C1S H1C 109.5 . . ?
C2S C1S H1D 109.5 . . ?
H1C C1S H1D 109.5 . . ?
C2S C1S H1E 109.5 . . ?
H1C C1S H1E 109.5 . . ?
H1D C1S H1E 109.5 . . ?
C1S C2S C3S 104.0(7) . . ?
C1S C2S H2C 110.9 . . ?
C3S C2S H2C 110.9 . . ?
C1S C2S H2D 110.9 . . ?
C3S C2S H2D 110.9 . . ?
H2C C2S H2D 109.0 . . ?
C4S C3S C2S 104.7(6) . . ?
C4S C3S H3C 110.8 . . ?
C2S C3S H3C 110.8 . . ?
C4S C3S H3D 110.8 . . ?
C2S C3S H3D 110.8 . . ?
H3C C3S H3D 108.9 . . ?
C5S C4S C3S 108.2(7) . . ?
C5S C4S H4C 110.1 . . ?
C3S C4S H4C 110.1 . . ?
C5S C4S H4D 110.1 . . ?
C3S C4S H4D 110.1 . . ?
H4C C4S H4D 108.4 . . ?
C4S C5S C6S 109.0(7) . . ?
C4S C5S H5C 109.9 . . ?
C6S C5S H5C 109.9 . . ?
C4S C5S H5D 109.9 . . ?
C6S C5S H5D 109.9 . . ?
H5C C5S H5D 108.3 . . ?
C5S C6S H6C 109.5 . . ?
C5S C6S H6D 109.5 . . ?
H6C C6S H6D 109.5 . . ?
C5S C6S H6E 109.5 . . ?
H6C C6S H6E 109.5 . . ?
H6D C6S H6E 109.5 . . ?
C1T O1T C4T 107.1(8) . . ?
O1T C1T C2T 103.6(8) . . ?
O1T C1T H1F 111.0 . . ?
C2T C1T H1F 111.0 . . ?
O1T C1T H1G 111.0 . . ?
C2T C1T H1G 111.0 . . ?
H1F C1T H1G 109.0 . . ?
C3T C2T C1T 100.4(8) . . ?
C3T C2T H2E 111.7 . . ?
C1T C2T H2E 111.7 . . ?
C3T C2T H2F 111.7 . . ?
C1T C2T H2F 111.7 . . ?
H2E C2T H2F 109.5 . . ?
C4T C3T C2T 103.3(7) . . ?
C4T C3T H3E 111.1 . . ?
C2T C3T H3E 111.1 . . ?
C4T C3T H3F 111.1 . . ?
C2T C3T H3F 111.1 . . ?
H3E C3T H3F 109.1 . . ?
O1T C4T C3T 108.8(7) . . ?
O1T C4T H4E 109.9 . . ?
C3T C4T H4E 109.9 . . ?
O1T C4T H4F 109.9 . . ?
C3T C4T H4F 109.9 . . ?
H4E C4T H4F 108.3 . . ?
C4U O1U C1U 96.6(11) . . ?
O1U C1U C2U 103.9(8) . . ?
O1U C1U H1H 111.0 . . ?
C2U C1U H1H 111.0 . . ?
O1U C1U H1I 111.0 . . ?
C2U C1U H1I 111.0 . . ?
H1H C1U H1I 109.0 . . ?
C1U C2U C3U 99.8(7) . . ?
C1U C2U H2G 111.8 . . ?
C3U C2U H2G 111.8 . . ?
C1U C2U H2H 111.8 . . ?
C3U C2U H2H 111.8 . . ?
H2G C2U H2H 109.5 . . ?
C4U C3U C2U 103.8(6) . . ?
C4U C3U H3G 111.0 . . ?
C2U C3U H3G 111.0 . . ?
C4U C3U H3H 111.0 . . ?
C2U C3U H3H 111.0 . . ?
H3G C3U H3H 109.0 . . ?
O1U C4U C3U 106.2(7) . . ?
O1U C4U H4G 110.5 . . ?
C3U C4U H4G 110.5 . . ?
O1U C4U H4H 110.5 . . ?
C3U C4U H4H 110.5 . . ?
H4G C4U H4H 108.7 . . ?

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
C12C O1C C1C C2C -178.0(2) . . . . ?
K1 O1C C1C C2C -63.90(19) . . . . ?
O1C C1C C2C O2C 67.2(2) . . . . ?
C1C C2C O2C C3C 170.42(18) . . . . ?
C1C C2C O2C K1 -34.2(2) . . . . ?
C2C O2C C3C C4C 172.53(17) . . . . ?
K1 O2C C3C C4C 18.3(2) . . . . ?
O2C C3C C4C O3C -62.6(2) . . . . ?
C3C C4C O3C C5C 177.73(19) . . . . ?
C3C C4C O3C K1 70.73(17) . . . . ?
C4C O3C C5C C6C 178.0(2) . . . . ?
K1 O3C C5C C6C -73.0(2) . . . . ?
O3C C5C C6C O4C 71.6(3) . . . . ?
C5C C6C O4C C7C -170.6(2) . . . . ?
C5C C6C O4C K1 -25.5(3) . . . . ?
C6C O4C C7C C8C -174.5(3) . . . . ?
K1 O4C C7C C8C 39.9(3) . . . . ?
O4C C7C C8C O5C -63.4(3) . . . . ?
C7C C8C O5C C9C -171.2(2) . . . . ?
C7C C8C O5C K1 56.6(3) . . . . ?
C8C O5C C9C C10C 164.6(3) . . . . ?
K1 O5C C9C C10C -63.1(3) . . . . ?
O5C C9C C10C O6C 58.5(4) . . . . ?
C9C C10C O6C C11C -176.4(3) . . . . ?
C9C C10C O6C K1 -27.8(3) . . . . ?
C10C O6C C11C C12C 172.6(3) . . . . ?
K1 O6C C11C C12C 23.1(3) . . . . ?
C1C O1C C12C C11C -171.0(3) . . . . ?
K1 O1C C12C C11C 72.8(3) . . . . ?
O6C C11C C12C O1C -66.7(3) . . . . ?
C12 B1 O1 K1 -110.70(13) . . . . ?
C1 B1 O1 K1 8.36(16) . . . . ?
C13 B1 O1 K1 126.33(13) . . . . ?
O1 B1 C1 C2 91.7(2) . . . . ?
C12 B1 C1 C2 -151.74(17) . . . . ?
C13 B1 C1 C2 -26.5(2) . . . . ?
O1 B1 C1 C6 -82.45(19) . . . . ?
C12 B1 C1 C6 34.1(2) . . . . ?
C13 B1 C1 C6 159.34(16) . . . . ?
O1 B1 C1 K1 -6.74(13) . . . . ?
C12 B1 C1 K1 109.86(13) . . . . ?
C13 B1 C1 K1 -124.95(13) . . . . ?
C6 C1 C2 C3 -0.9(3) . . . . ?
B1 C1 C2 C3 -175.11(19) . . . . ?
K1 C1 C2 C3 -77.0(2) . . . . ?
C1 C2 C3 C4 3.0(3) . . . . ?
C2 C3 C4 C5 -1.4(3) . . . . ?
C3 C4 C5 C6 -2.2(3) . . . . ?
C4 C5 C6 C1 4.2(3) . . . . ?
C4 C5 C6 B2 178.19(18) . . . . ?
C4 C5 C6 K1 82.59(19) . . . . ?
C2 C1 C6 C5 -2.6(3) . . . . ?
B1 C1 C6 C5 171.72(17) . . . . ?
K1 C1 C6 C5 85.11(16) . . . . ?
C2 C1 C6 B2 -176.74(17) . . . . ?
B1 C1 C6 B2 -2.4(2) . . . . ?
K1 C1 C6 B2 -89.02(15) . . . . ?
C2 C1 C6 K1 -87.72(16) . . . . ?
B1 C1 C6 K1 86.61(15) . . . . ?
C5 C6 B2 O2 -91.5(2) . . . . ?
C1 C6 B2 O2 82.40(19) . . . . ?
K1 C6 B2 O2 2.10(13) . . . . ?
C5 C6 B2 C25 26.6(2) . . . . ?
C1 C6 B2 C25 -159.47(16) . . . . ?
K1 C6 B2 C25 120.24(13) . . . . ?
C5 C6 B2 C7 152.79(17) . . . . ?
C1 C6 B2 C7 -33.3(2) . . . . ?
K1 C6 B2 C7 -113.61(13) . . . . ?
C6 B2 O2 K1 -2.53(16) . . . . ?
C25 B2 O2 K1 -124.82(12) . . . . ?
C7 B2 O2 K1 115.82(12) . . . . ?
O2 B2 C7 C8 95.1(2) . . . . ?
C6 B2 C7 C8 -149.85(17) . . . . ?
C25 B2 C7 C8 -22.1(2) . . . . ?
O2 B2 C7 C12 -76.8(2) . . . . ?
C6 B2 C7 C12 38.3(2) . . . . ?
C25 B2 C7 C12 166.08(16) . . . . ?
C12 C7 C8 C9 0.8(3) . . . . ?
B2 C7 C8 C9 -171.12(18) . . . . ?
C7 C8 C9 C10 1.1(3) . . . . ?
C8 C9 C10 C11 -0.8(3) . . . . ?
C9 C10 C11 C12 -1.4(3) . . . . ?
C10 C11 C12 C7 3.3(3) . . . . ?
C10 C11 C12 B1 179.52(18) . . . . ?
C8 C7 C12 C11 -2.9(3) . . . . ?
B2 C7 C12 C11 169.37(16) . . . . ?
C8 C7 C12 B1 -179.18(17) . . . . ?
B2 C7 C12 B1 -7.0(2) . . . . ?
O1 B1 C12 C11 -91.0(2) . . . . ?
C1 B1 C12 C11 154.76(17) . . . . ?
C13 B1 C12 C11 30.8(2) . . . . ?
O1 B1 C12 C7 85.2(2) . . . . ?
C1 B1 C12 C7 -29.0(2) . . . . ?
C13 B1 C12 C7 -152.99(17) . . . . ?
O1 B1 C13 C18 -3.6(3) . . . . ?
C12 B1 C13 C18 -124.2(2) . . . . ?
C1 B1 C13 C18 110.9(2) . . . . ?
O1 B1 C13 C14 -179.12(18) . . . . ?
C12 B1 C13 C14 60.3(2) . . . . ?
C1 B1 C13 C14 -64.7(2) . . . . ?
C18 C13 C14 C15 -1.0(3) . . . . ?
B1 C13 C14 C15 174.68(19) . . . . ?
C18 C13 C14 P1 178.20(15) . . . . ?
B1 C13 C14 P1 -6.1(3) . . . . ?
C13 C14 C15 C16 0.4(3) . . . . ?
P1 C14 C15 C16 -178.90(18) . . . . ?
C14 C15 C16 C17 0.8(4) . . . . ?
C15 C16 C17 C18 -1.2(4) . . . . ?
C16 C17 C18 C13 0.5(4) . . . . ?
C14 C13 C18 C17 0.6(3) . . . . ?
B1 C13 C18 C17 -175.4(2) . . . . ?
C15 C14 P1 C22 -38.86(18) . . . . ?
C13 C14 P1 C22 141.89(17) . . . . ?
C15 C14 P1 C19 73.81(18) . . . . ?
C13 C14 P1 C19 -105.43(17) . . . . ?
C15 C14 P1 Au1 -161.39(14) . . . . ?
C13 C14 P1 Au1 19.37(19) . . . . ?
C14 P1 C19 C21 -75.01(18) . . . . ?
C22 P1 C19 C21 35.40(19) . . . . ?
Au1 P1 C19 C21 154.36(15) . . . . ?
C14 P1 C19 C20 155.72(15) . . . . ?
C22 P1 C19 C20 -93.88(16) . . . . ?
Au1 P1 C19 C20 25.09(17) . . . . ?
C14 P1 C22 C23 -61.88(16) . . . . ?
C19 P1 C22 C23 -171.73(14) . . . . ?
Au1 P1 C22 C23 67.90(15) . . . . ?
C14 P1 C22 C24 175.54(14) . . . . ?
C19 P1 C22 C24 65.69(16) . . . . ?
Au1 P1 C22 C24 -54.68(15) . . . . ?
O2 B2 C25 C30 -12.2(2) . . . . ?
C6 B2 C25 C30 -129.33(17) . . . . ?
C7 B2 C25 C30 104.58(19) . . . . ?
O2 B2 C25 C26 171.49(17) . . . . ?
C6 B2 C25 C26 54.3(2) . . . . ?
C7 B2 C25 C26 -71.8(2) . . . . ?
C30 C25 C26 C27 0.6(3) . . . . ?
B2 C25 C26 C27 177.01(18) . . . . ?
C30 C25 C26 P2 -177.85(14) . . . . ?
B2 C25 C26 P2 -1.4(3) . . . . ?
C25 C26 C27 C28 -0.6(3) . . . . ?
P2 C26 C27 C28 177.96(17) . . . . ?
C26 C27 C28 C29 0.0(3) . . . . ?
C27 C28 C29 C30 0.5(3) . . . . ?
C28 C29 C30 C25 -0.5(3) . . . . ?
C26 C25 C30 C29 -0.1(3) . . . . ?
B2 C25 C30 C29 -176.82(18) . . . . ?
C27 C26 P2 C31 -41.91(18) . . . . ?
C25 C26 P2 C31 136.59(16) . . . . ?
C27 C26 P2 C34 70.35(17) . . . . ?
C25 C26 P2 C34 -111.14(16) . . . . ?
C27 C26 P2 Au1 -164.03(14) . . . . ?
C25 C26 P2 Au1 14.48(18) . . . . ?
C26 P2 C31 C32 -59.73(16) . . . . ?
C34 P2 C31 C32 -170.51(14) . . . . ?
Au1 P2 C31 C32 67.16(15) . . . . ?
C26 P2 C31 C33 177.59(15) . . . . ?
C34 P2 C31 C33 66.81(17) . . . . ?
Au1 P2 C31 C33 -55.52(17) . . . . ?
C26 P2 C34 C35 -74.02(18) . . . . ?
C31 P2 C34 C35 36.21(19) . . . . ?
Au1 P2 C34 C35 157.16(15) . . . . ?
C26 P2 C34 C36 156.55(16) . . . . ?
C31 P2 C34 C36 -93.22(17) . . . . ?
Au1 P2 C34 C36 27.73(18) . . . . ?
C1S C2S C3S C4S 171.9(13) . . . . ?
C2S C3S C4S C5S 37.9(17) . . . . ?
C3S C4S C5S C6S 70.9(15) . . . . ?
C4T O1T C1T C2T -34(2) . . . . ?
O1T C1T C2T C3T 41(2) . . . . ?
C1T C2T C3T C4T -32(2) . . . . ?
C1T O1T C4T C3T 14(3) . . . . ?
C2T C3T C4T O1T 13(3) . . . . ?
C4U O1U C1U C2U 53.9(18) . . . . ?
O1U C1U C2U C3U -38.8(17) . . . . ?
C1U C2U C3U C4U 8.6(18) . . . . ?
C1U O1U C4U C3U -48(2) . . . . ?
C2U C3U C4U O1U 25(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C6C H6B O5C 0.99 2.46 3.404(3) 158.5 3_667
C4C H4A O2 0.99 2.30 3.165(3) 146.1 .
C2C H2A O2 0.99 2.58 3.528(3) 160.1 3_767

_refine_diff_density_max         0.815
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.071

_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_hh264JT130
_database_code_depnum_ccdc_archive 'CCDC 2018631'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT420_hh264JT130          
;
PROBLEM: D-H Without Acceptor       O1A      --H1A      .     Please Check 
RESPONSE: This hydroxyl group is located on a borate atom and is further
          coordinated to the potassium countercation.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H69.47 Au B2 K O7.53 P2'
_chemical_formula_weight         1086.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   11.5721(3)
_cell_length_b                   13.3494(4)
_cell_length_c                   17.4347(5)
_cell_angle_alpha                77.4593(5)
_cell_angle_beta                 77.1738(5)
_cell_angle_gamma                68.9764(5)
_cell_volume                     2423.17(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9371
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      31.59

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_F_000             1111
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.442
_exptl_crystal_size_mid          0.355
_exptl_crystal_size_min          0.336
_exptl_absorpt_coefficient_mu    3.237
_shelx_estimated_absorpt_T_min   0.329
_shelx_estimated_absorpt_T_max   0.409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4717
_exptl_absorpt_correction_T_max  0.5650
_exptl_absorpt_process_details   'Bruker SADABS 2012/1'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            84102
_diffrn_reflns_av_unetI/netI     0.0113
_diffrn_reflns_av_R_equivalents  0.0197
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.653
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             12016
_reflns_number_gt                11673
_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 2014.1-1, 2014'
_computing_cell_refinement       'Bruker SAINT 8.34a, 2013'
_computing_data_reduction        'Bruker SAINT 8.34a, 2013'
_computing_structure_solution    'Bruker SHELXTL 2018/2 (XT)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Large portions of the main molecule as well as the entire
 countercation moiety exhibited disorder are were refined over
 two positions. One hydroxyl group on one of the boron atoms
 was further disordered over an additional two positions. There
 was additional disorder in the composition of one of the
 borate substituents, which was disordered between a hydroxyl
 group and a hydride. Disorder ratios were refined freely.

 Disorders were refined with the help of similarity restraints on
 1,2- and 1,3- distances as well as similarity and rigid-bond
 restraints on anisotropic displacement parameters. Flatness
 restraints were utilized for the two components of a disordered
 phenyl ring.

 The anisotropic displacement parameters of two sets of nearly-
 overlapping positions within disordered moieties were constrained
 to be equal, as were those for the two hydroxyl oxygen atoms that
 were disordered within a disorder.

 Hydroxyl hydrogen atom positions were located in the difference
 map for partially occupied oxygen atoms O1A and O1B (ca. 52% and
 48% occupancy, respectively). These hydrogen positions were then
 refined using a riding model with refined torsion angles (AFIX
 147, O-H distance 0.84 Å); the resulting positions were
 consistent with those initially observed in the difference map.

 The two other disordered hydroxyl oxygen atoms, O2A and O2A2,
 had lower occupancies of ca. 31% and 22%, respectively, and no
 corresponding hydrogen positions could be located in the
 difference map; it was therefore deemed not appropriate to add
 in or refine their hydroxyl hydrogen positions.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0167P)²+1.4558P] 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         12016
_refine_ls_number_parameters     923
_refine_ls_number_restraints     1216
_refine_ls_R_factor_all          0.0148
_refine_ls_R_factor_gt           0.0141
_refine_ls_wR_factor_ref         0.0357
_refine_ls_wR_factor_gt          0.0355
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.065
_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 0.72621(2) 0.56911(2) 0.72061(2) 0.01498(2) Uani 1 1 d . . . . .
B1A B 0.5917(5) 0.8352(4) 0.7409(3) 0.0128(9) Uani 0.523(2) 1 d D U P A 1
O1A O 0.5786(3) 0.9371(2) 0.7729(2) 0.0344(7) Uani 0.523(2) 1 d D U P A 1
H1A H 0.548275 0.931479 0.821501 0.041 Uiso 0.523(2) 1 calc R U P A 1
O2A O 0.8011(6) 0.7918(4) 0.8624(4) 0.0407(12) Uani 0.308(3) 1 d D U P A 3
O2A2 O 0.8574(8) 0.7843(5) 0.8299(5) 0.0407(12) Uani 0.215(3) 1 d D U P A 4
C1A C 0.7290(4) 0.7998(3) 0.6862(2) 0.0126(7) Uani 0.523(2) 1 d D U P A 1
C2A C 0.7481(4) 0.8312(3) 0.6032(2) 0.0165(8) Uani 0.523(2) 1 d D U P A 1
H2B H 0.677853 0.876189 0.578405 0.020 Uiso 0.523(2) 1 calc R U P A 1
C3A C 0.8643(4) 0.7998(3) 0.5559(2) 0.0202(8) Uani 0.523(2) 1 d D U P A 1
H3C H 0.872833 0.822320 0.499978 0.024 Uiso 0.523(2) 1 calc R U P A 1
C4A C 0.9689(4) 0.7345(4) 0.5916(3) 0.0241(9) Uani 0.523(2) 1 d D U P A 1
H4C H 1.049389 0.711149 0.560246 0.029 Uiso 0.523(2) 1 calc R U P A 1
C5A C 0.9532(4) 0.7042(4) 0.6738(3) 0.0204(9) Uani 0.523(2) 1 d D U P A 1
H5C H 1.025216 0.661462 0.697641 0.025 Uiso 0.523(2) 1 calc R U P A 1
C6A C 0.8363(4) 0.7337(4) 0.7234(3) 0.0161(8) Uani 0.523(2) 1 d D U P A 1
B2A B 0.8208(5) 0.6975(5) 0.8186(3) 0.0146(9) Uani 0.523(2) 1 d D U P A 1
C7A C 0.6866(5) 0.6802(7) 0.8546(4) 0.0129(10) Uani 0.523(2) 1 d D U P A 1
C8A C 0.6673(7) 0.6104(7) 0.9260(5) 0.0185(13) Uani 0.523(2) 1 d D U P A 1
H8C H 0.737748 0.567700 0.951346 0.022 Uiso 0.523(2) 1 calc R U P A 1
C9A C 0.5519(6) 0.6007(6) 0.9611(4) 0.0193(12) Uani 0.523(2) 1 d D U P A 1
H9C H 0.543776 0.552222 1.009149 0.023 Uiso 0.523(2) 1 calc R U P A 1
C10A C 0.4471(5) 0.6635(5) 0.9249(4) 0.0173(10) Uani 0.523(2) 1 d D U P A 1
H10E H 0.366812 0.657384 0.947411 0.021 Uiso 0.523(2) 1 calc R U P A 1
C11A C 0.4619(7) 0.7345(7) 0.8558(5) 0.0160(11) Uani 0.523(2) 1 d D U P A 1
H11E H 0.389387 0.779286 0.833136 0.019 Uiso 0.523(2) 1 calc R U P A 1
C12A C 0.5784(5) 0.7440(6) 0.8175(4) 0.0103(10) Uani 0.523(2) 1 d D U P A 1
C13A C 0.4834(5) 0.8660(5) 0.6838(3) 0.0129(10) Uani 0.523(2) 1 d D U P A 1
C14A C 0.4670(8) 0.7938(9) 0.6405(5) 0.0151(7) Uani 0.523(2) 1 d D U P A 1
C15A C 0.3905(13) 0.8337(8) 0.5811(8) 0.0186(12) Uani 0.523(2) 1 d D U P A 1
H15A H 0.381543 0.784094 0.553029 0.022 Uiso 0.523(2) 1 calc R U P A 1
C16A C 0.3276(8) 0.9441(7) 0.5623(5) 0.0215(14) Uani 0.523(2) 1 d D U P A 1
H16A H 0.278718 0.970217 0.520534 0.026 Uiso 0.523(2) 1 calc R U P A 1
C17A C 0.3378(5) 1.0143(5) 0.6055(3) 0.0190(9) Uani 0.523(2) 1 d D U P A 1
H17A H 0.292824 1.089609 0.594897 0.023 Uiso 0.523(2) 1 calc R U P A 1
C18A C 0.4133(4) 0.9762(4) 0.6648(3) 0.0168(9) Uani 0.523(2) 1 d D U P A 1
H18A H 0.417750 1.027031 0.693689 0.020 Uiso 0.523(2) 1 calc R U P A 1
P1 P 0.54614(3) 0.64112(3) 0.66183(2) 0.01383(6) Uani 1 1 d . . . . .
C19A C 0.57382(14) 0.58902(14) 0.56678(9) 0.0228(3) Uani 1 1 d . . . . .
H19A H 0.491948 0.612775 0.546953 0.027 Uiso 1 1 calc R U . . .
C20A C 0.66380(18) 0.63725(19) 0.50459(10) 0.0379(4) Uani 1 1 d . . . . .
H20A H 0.741861 0.620563 0.525232 0.057 Uiso 1 1 calc R U . . .
H20B H 0.624849 0.716151 0.493158 0.057 Uiso 1 1 calc R U . . .
H20C H 0.682188 0.605856 0.455623 0.057 Uiso 1 1 calc R U . . .
C21A C 0.62494(16) 0.46535(15) 0.57890(11) 0.0296(4) Uani 1 1 d . . . . .
H21A H 0.642592 0.439835 0.527557 0.044 Uiso 1 1 calc R U . . .
H21B H 0.562719 0.436246 0.615127 0.044 Uiso 1 1 calc R U . . .
H21C H 0.702356 0.440449 0.601821 0.044 Uiso 1 1 calc R U . . .
C22A C 0.41545(13) 0.59848(11) 0.72685(9) 0.0169(3) Uani 1 1 d . . . . .
H22A H 0.371186 0.655446 0.762010 0.020 Uiso 1 1 calc R U . . .
C23A C 0.31565(15) 0.59514(14) 0.68340(11) 0.0262(3) Uani 1 1 d . . . . .
H23A H 0.352892 0.537986 0.649656 0.039 Uiso 1 1 calc R U . . .
H23B H 0.283755 0.665402 0.650275 0.039 Uiso 1 1 calc R U . . .
H23C H 0.246504 0.579912 0.722477 0.039 Uiso 1 1 calc R U . . .
C24A C 0.46257(14) 0.49206(13) 0.78290(10) 0.0238(3) Uani 1 1 d . . . . .
H24A H 0.391034 0.476024 0.818693 0.036 Uiso 1 1 calc R U . . .
H24B H 0.518966 0.499195 0.814290 0.036 Uiso 1 1 calc R U . . .
H24C H 0.507853 0.432899 0.751545 0.036 Uiso 1 1 calc R U . . .
C25A C 0.95218(17) 0.59139(13) 0.83914(11) 0.0280(4) Uani 1 1 d . . . . .
C26A C 0.98286(14) 0.48195(12) 0.82950(9) 0.0206(3) Uani 1 1 d . . . . .
C27A C 1.07769(14) 0.39928(13) 0.86663(9) 0.0213(3) Uani 1 1 d . . . . .
H27A H 1.093858 0.325895 0.861440 0.026 Uiso 1 1 calc R U . . .
C28A C 1.14823(14) 0.42318(14) 0.91084(9) 0.0230(3) Uani 1 1 d . . . . .
H28A H 1.211299 0.366763 0.936379 0.028 Uiso 1 1 calc R U . . .
C29A C 1.12497(15) 0.53047(14) 0.91697(9) 0.0245(3) Uani 1 1 d . . . . .
H29A H 1.175018 0.548637 0.944631 0.029 Uiso 1 1 calc R U . . .
C30A C 1.02874(17) 0.61129(14) 0.88277(11) 0.0287(4) Uani 1 1 d . . . . .
H30A H 1.013369 0.684148 0.888994 0.034 Uiso 1 1 calc R U . . .
P2 P 0.90672(3) 0.44346(3) 0.76436(2) 0.01590(7) Uani 1 1 d . . . . .
C31A C 1.03431(15) 0.40353(16) 0.67861(9) 0.0303(4) Uani 1 1 d . . . . .
H31A H 1.080734 0.456761 0.667872 0.036 Uiso 1 1 calc R U . . .
C32A C 0.98068(18) 0.4170(2) 0.60281(11) 0.0491(6) Uani 1 1 d . . . . .
H32A H 1.049525 0.399766 0.558342 0.074 Uiso 1 1 calc R U . . .
H32B H 0.926143 0.492085 0.590901 0.074 Uiso 1 1 calc R U . . .
H32C H 0.932055 0.367700 0.610687 0.074 Uiso 1 1 calc R U . . .
C33A C 1.13197(16) 0.29101(18) 0.69358(11) 0.0371(4) Uani 1 1 d . . . . .
H33A H 1.091396 0.235362 0.703585 0.056 Uiso 1 1 calc R U . . .
H33B H 1.169549 0.286139 0.739968 0.056 Uiso 1 1 calc R U . . .
H33C H 1.197476 0.279511 0.646774 0.056 Uiso 1 1 calc R U . . .
C34A C 0.87954(13) 0.31635(11) 0.81873(8) 0.0162(3) Uani 1 1 d . . . . .
H34A H 0.962086 0.262288 0.830112 0.019 Uiso 1 1 calc R U . . .
C35A C 0.79359(15) 0.33670(13) 0.89805(9) 0.0234(3) Uani 1 1 d . . . . .
H35A H 0.713098 0.391606 0.888258 0.035 Uiso 1 1 calc R U . . .
H35B H 0.832876 0.362557 0.930605 0.035 Uiso 1 1 calc R U . . .
H35C H 0.779662 0.268980 0.926151 0.035 Uiso 1 1 calc R U . . .
C36A C 0.82399(16) 0.26819(13) 0.76970(10) 0.0261(3) Uani 1 1 d . . . . .
H36A H 0.806714 0.203431 0.801412 0.039 Uiso 1 1 calc R U . . .
H36B H 0.883812 0.248265 0.721591 0.039 Uiso 1 1 calc R U . . .
H36C H 0.745817 0.322001 0.754648 0.039 Uiso 1 1 calc R U . . .
K1 K 0.7734(2) 0.9833(2) 0.80121(18) 0.0210(4) Uani 0.523(2) 1 d D . P A 1
O1C O 0.5891(4) 1.1905(3) 0.7428(2) 0.0261(8) Uani 0.523(2) 1 d D . P A 1
C1C C 0.5887(4) 1.1796(4) 0.6643(3) 0.0282(8) Uani 0.523(2) 1 d D . P A 1
H1C H 0.520630 1.240545 0.641475 0.034 Uiso 0.523(2) 1 calc R U P A 1
H1D H 0.574963 1.110789 0.663678 0.034 Uiso 0.523(2) 1 calc R U P A 1
C2C C 0.7134(4) 1.1801(3) 0.6166(2) 0.0234(7) Uani 0.523(2) 1 d D . P A 1
H2C H 0.711308 1.185531 0.559370 0.028 Uiso 0.523(2) 1 calc R U P A 1
H2D H 0.732485 1.243636 0.624098 0.028 Uiso 0.523(2) 1 calc R U P A 1
O2C O 0.8075(3) 1.0828(2) 0.64194(18) 0.0248(6) Uani 0.523(2) 1 d D . P A 1
C3C C 0.9265(4) 1.0783(3) 0.5992(2) 0.0292(8) Uani 0.523(2) 1 d D . P A 1
H3A H 0.948493 1.140731 0.605877 0.035 Uiso 0.523(2) 1 calc R U P A 1
H3B H 0.927573 1.081089 0.541888 0.035 Uiso 0.523(2) 1 calc R U P A 1
C4C C 1.0189(4) 0.9735(3) 0.6311(3) 0.0359(9) Uani 0.523(2) 1 d D . P A 1
H4A H 0.990423 0.911897 0.630903 0.043 Uiso 0.523(2) 1 calc R U P A 1
H4B H 1.101870 0.962254 0.597000 0.043 Uiso 0.523(2) 1 calc R U P A 1
O3C O 1.0287(3) 0.9780(3) 0.7108(2) 0.0327(7) Uani 0.523(2) 1 d D . P A 1
C5C C 1.1176(5) 0.8825(5) 0.7423(4) 0.0422(11) Uani 0.523(2) 1 d D . P A 1
H5A H 1.201320 0.874013 0.709659 0.051 Uiso 0.523(2) 1 calc R U P A 1
H5B H 1.093966 0.818505 0.741465 0.051 Uiso 0.523(2) 1 calc R U P A 1
C6C C 1.1216(5) 0.8902(5) 0.8266(3) 0.0446(12) Uani 0.523(2) 1 d D . P A 1
H6A H 1.186687 0.825748 0.848975 0.054 Uiso 0.523(2) 1 calc R U P A 1
H6B H 1.141437 0.955918 0.828082 0.054 Uiso 0.523(2) 1 calc R U P A 1
O4C O 1.0024(5) 0.8956(6) 0.8709(3) 0.0330(11) Uani 0.523(2) 1 d D . P A 1
C7C C 1.0038(6) 0.8840(5) 0.9534(3) 0.0362(13) Uani 0.523(2) 1 d D . P A 1
H7A H 1.029934 0.941999 0.964023 0.043 Uiso 0.523(2) 1 calc R U P A 1
H7B H 1.064984 0.813078 0.970853 0.043 Uiso 0.523(2) 1 calc R U P A 1
C8C C 0.8755(5) 0.8910(4) 0.9991(3) 0.0337(10) Uani 0.523(2) 1 d D . P A 1
H8A H 0.848336 0.833679 0.988309 0.040 Uiso 0.523(2) 1 calc R U P A 1
H8B H 0.876414 0.880953 1.056908 0.040 Uiso 0.523(2) 1 calc R U P A 1
O5C O 0.7924(3) 0.9949(3) 0.9741(2) 0.0293(8) Uani 0.523(2) 1 d D . P A 1
C9C C 0.6693(5) 1.0103(5) 1.0197(3) 0.0343(10) Uani 0.523(2) 1 d D . P A 1
H9A H 0.671541 1.010900 1.076008 0.041 Uiso 0.523(2) 1 calc R U P A 1
H9B H 0.640114 0.949977 1.017412 0.041 Uiso 0.523(2) 1 calc R U P A 1
C10C C 0.5814(4) 1.1161(4) 0.9862(3) 0.0315(9) Uani 0.523(2) 1 d D . P A 1
H10A H 0.499063 1.132827 1.021309 0.038 Uiso 0.523(2) 1 calc R U P A 1
H10B H 0.615569 1.175440 0.982425 0.038 Uiso 0.523(2) 1 calc R U P A 1
O6C O 0.5668(4) 1.1072(3) 0.9089(2) 0.0307(8) Uani 0.523(2) 1 d D . P A 1
C11C C 0.4829(4) 1.2059(3) 0.8758(3) 0.0293(9) Uani 0.523(2) 1 d D . P A 1
H11A H 0.514556 1.266489 0.873335 0.035 Uiso 0.523(2) 1 calc R U P A 1
H11B H 0.399622 1.221199 0.909779 0.035 Uiso 0.523(2) 1 calc R U P A 1
C12C C 0.4711(3) 1.1973(3) 0.7932(3) 0.0285(8) Uani 0.523(2) 1 d D . P A 1
H12A H 0.448975 1.131808 0.794397 0.034 Uiso 0.523(2) 1 calc R U P A 1
H12B H 0.404280 1.261759 0.772517 0.034 Uiso 0.523(2) 1 calc R U P A 1
B1B B 0.6235(5) 0.8291(4) 0.7170(3) 0.0134(10) Uani 0.477(2) 1 d D U P A 2
O1B O 0.6220(4) 0.9345(3) 0.7367(2) 0.0355(7) Uani 0.477(2) 1 d D U P A 2
H1B H 0.654344 0.968319 0.696301 0.043 Uiso 0.477(2) 1 calc R U P A 2
C1B C 0.7581(4) 0.7790(4) 0.6623(3) 0.0140(8) Uani 0.477(2) 1 d D U P A 2
C2B C 0.7765(5) 0.8057(4) 0.5788(3) 0.0178(9) Uani 0.477(2) 1 d D U P A 2
H2F H 0.706201 0.849692 0.553691 0.021 Uiso 0.477(2) 1 calc R U P A 2
C3B C 0.8920(5) 0.7710(4) 0.5317(3) 0.0221(9) Uani 0.477(2) 1 d D U P A 2
H3F H 0.900314 0.790738 0.475556 0.027 Uiso 0.477(2) 1 calc R U P A 2
C4B C 0.9957(4) 0.7068(4) 0.5675(3) 0.0205(9) Uani 0.477(2) 1 d D U P A 2
H4F H 1.075813 0.681853 0.536108 0.025 Uiso 0.477(2) 1 calc R U P A 2
C5B C 0.9810(5) 0.6794(4) 0.6498(3) 0.0175(9) Uani 0.477(2) 1 d D U P A 2
H5F H 1.052457 0.634979 0.673654 0.021 Uiso 0.477(2) 1 calc R U P A 2
C6B C 0.8653(5) 0.7144(4) 0.6993(3) 0.0130(9) Uani 0.477(2) 1 d D U P A 2
B2B B 0.8525(6) 0.6917(6) 0.7953(4) 0.0165(11) Uani 0.477(2) 1 d D U P A 2
H2B1 H 0.857381 0.764575 0.812288 0.020 Uiso 0.477(2) 1 calc R U P A 2
C7B C 0.7150(6) 0.6839(7) 0.8368(4) 0.0145(11) Uani 0.477(2) 1 d D U P A 2
C8B C 0.6943(8) 0.6224(8) 0.9122(5) 0.0171(13) Uani 0.477(2) 1 d D U P A 2
H8F H 0.764487 0.580888 0.938073 0.021 Uiso 0.477(2) 1 calc R U P A 2
C9B C 0.5775(7) 0.6197(6) 0.9501(5) 0.0204(13) Uani 0.477(2) 1 d D U P A 2
H9F H 0.568303 0.575863 1.000309 0.025 Uiso 0.477(2) 1 calc R U P A 2
C10B C 0.4728(6) 0.6819(6) 0.9140(5) 0.0207(12) Uani 0.477(2) 1 d D U P A 2
H10F H 0.391571 0.680470 0.939077 0.025 Uiso 0.477(2) 1 calc R U P A 2
C11B C 0.4892(7) 0.7461(8) 0.8409(5) 0.0172(13) Uani 0.477(2) 1 d D U P A 2
H11F H 0.417227 0.789157 0.817071 0.021 Uiso 0.477(2) 1 calc R U P A 2
C12B C 0.6073(6) 0.7501(7) 0.8005(4) 0.0138(11) Uani 0.477(2) 1 d D U P A 2
C13B C 0.5110(5) 0.8579(5) 0.6639(3) 0.0119(10) Uani 0.477(2) 1 d D U P A 2
C14B C 0.4839(9) 0.7820(10) 0.6318(6) 0.0151(7) Uani 0.477(2) 1 d D U P A 2
C15B C 0.4051(14) 0.8170(9) 0.5730(9) 0.0186(12) Uani 0.477(2) 1 d D U P A 2
H15B H 0.389863 0.764764 0.550913 0.022 Uiso 0.477(2) 1 calc R U P A 2
C16B C 0.3499(9) 0.9265(8) 0.5473(6) 0.0197(14) Uani 0.477(2) 1 d D U P A 2
H16B H 0.300163 0.949147 0.506146 0.024 Uiso 0.477(2) 1 calc R U P A 2
C17B C 0.3678(6) 1.0024(5) 0.5819(3) 0.0218(12) Uani 0.477(2) 1 d D U P A 2
H17B H 0.327646 1.077682 0.566421 0.026 Uiso 0.477(2) 1 calc R U P A 2
C18B C 0.4448(5) 0.9675(5) 0.6395(3) 0.0220(11) Uani 0.477(2) 1 d D U P A 2
H18B H 0.453536 1.020831 0.664042 0.026 Uiso 0.477(2) 1 calc R U P A 2
K2 K 0.7707(3) 0.9864(3) 0.8091(2) 0.0389(8) Uani 0.477(2) 1 d D . P A 2
O1D O 0.5672(4) 1.1931(4) 0.7767(3) 0.0372(10) Uani 0.477(2) 1 d D . P A 2
C1D C 0.5337(6) 1.2057(3) 0.7025(4) 0.0477(15) Uani 0.477(2) 1 d D . P A 2
H1E H 0.465615 1.275508 0.693093 0.057 Uiso 0.477(2) 1 calc R U P A 2
H1F H 0.502916 1.146206 0.700329 0.057 Uiso 0.477(2) 1 calc R U P A 2
C2D C 0.6471(7) 1.2037(4) 0.6395(3) 0.0407(12) Uani 0.477(2) 1 d D . P A 2
H2G H 0.623013 1.218052 0.586083 0.049 Uiso 0.477(2) 1 calc R U P A 2
H2H H 0.679500 1.261408 0.643316 0.049 Uiso 0.477(2) 1 calc R U P A 2
O2D O 0.7419(5) 1.1015(3) 0.6493(2) 0.0376(8) Uani 0.477(2) 1 d D . P A 2
C3D C 0.8518(7) 1.0994(4) 0.5970(3) 0.0462(12) Uani 0.477(2) 1 d D . P A 2
H3D H 0.880404 1.158408 0.603083 0.055 Uiso 0.477(2) 1 calc R U P A 2
H3E H 0.836668 1.111042 0.541527 0.055 Uiso 0.477(2) 1 calc R U P A 2
C4D C 0.9499(6) 0.9929(5) 0.6138(3) 0.0463(12) Uani 0.477(2) 1 d D . P A 2
H4D H 0.917777 0.933438 0.613617 0.056 Uiso 0.477(2) 1 calc R U P A 2
H4E H 1.024542 0.986998 0.571995 0.056 Uiso 0.477(2) 1 calc R U P A 2
O3D O 0.9832(4) 0.9836(3) 0.6892(2) 0.0379(8) Uani 0.477(2) 1 d D . P A 2
C5D C 1.0766(5) 0.8830(4) 0.7091(4) 0.0492(13) Uani 0.477(2) 1 d D . P A 2
H5D H 1.147942 0.870182 0.664878 0.059 Uiso 0.477(2) 1 calc R U P A 2
H5E H 1.041599 0.822941 0.718623 0.059 Uiso 0.477(2) 1 calc R U P A 2
C6D C 1.1204(4) 0.8873(5) 0.7835(5) 0.0476(15) Uani 0.477(2) 1 d D . P A 2
H6C H 1.193819 0.822583 0.794616 0.057 Uiso 0.477(2) 1 calc R U P A 2
H6D H 1.144843 0.952971 0.776693 0.057 Uiso 0.477(2) 1 calc R U P A 2
O4D O 1.0206(6) 0.8900(7) 0.8460(4) 0.0405(15) Uani 0.477(2) 1 d D . P A 2
C7D C 1.0536(6) 0.8830(5) 0.9196(5) 0.0500(16) Uani 0.477(2) 1 d D . P A 2
H7C H 1.074317 0.948174 0.921313 0.060 Uiso 0.477(2) 1 calc R U P A 2
H7D H 1.128196 0.818257 0.928271 0.060 Uiso 0.477(2) 1 calc R U P A 2
C8D C 0.9459(9) 0.8747(5) 0.9827(4) 0.0514(19) Uani 0.477(2) 1 d D . P A 2
H8D H 0.923942 0.810482 0.980109 0.062 Uiso 0.477(2) 1 calc R U P A 2
H8E H 0.968686 0.866171 1.035800 0.062 Uiso 0.477(2) 1 calc R U P A 2
O5D O 0.8443(5) 0.9684(4) 0.9712(3) 0.0440(12) Uani 0.477(2) 1 d D . P A 2
C9D C 0.7344(8) 0.9666(6) 1.0254(3) 0.0563(16) Uani 0.477(2) 1 d D . P A 2
H9D H 0.750962 0.955779 1.080426 0.068 Uiso 0.477(2) 1 calc R U P A 2
H9E H 0.709878 0.905080 1.019748 0.068 Uiso 0.477(2) 1 calc R U P A 2
C10D C 0.6303(7) 1.0699(7) 1.0106(4) 0.0506(16) Uani 0.477(2) 1 d D . P A 2
H10C H 0.557310 1.070553 1.053017 0.061 Uiso 0.477(2) 1 calc R U P A 2
H10D H 0.657182 1.131771 1.012436 0.061 Uiso 0.477(2) 1 calc R U P A 2
O6D O 0.5955(5) 1.0816(5) 0.9367(3) 0.0523(14) Uani 0.477(2) 1 d D . P A 2
C11D C 0.5038(5) 1.1846(5) 0.9174(5) 0.0506(16) Uani 0.477(2) 1 d D . P A 2
H11C H 0.539143 1.243277 0.913595 0.061 Uiso 0.477(2) 1 calc R U P A 2
H11D H 0.429675 1.195117 0.959788 0.061 Uiso 0.477(2) 1 calc R U P A 2
C12D C 0.4659(5) 1.1896(5) 0.8402(5) 0.0500(16) Uani 0.477(2) 1 d D . P A 2
H12C H 0.441971 1.125016 0.841509 0.060 Uiso 0.477(2) 1 calc R U P A 2
H12D H 0.392239 1.255066 0.831302 0.060 Uiso 0.477(2) 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 P2 2.3230(4) . ?
Au1 P1 2.3237(3) . ?
B1A O1A 1.526(6) . ?
B1A C12A 1.621(6) . ?
B1A C1A 1.625(6) . ?
B1A C13A 1.655(7) . ?
O1A K1 2.708(4) . ?
O1A H1A 0.8400 . ?
O2A B2A 1.533(7) . ?
O2A K1 2.481(5) . ?
O2A2 B2A 1.431(9) . ?
O2A2 K1 2.458(7) . ?
C1A C2A 1.407(5) . ?
C1A C6A 1.436(5) . ?
C2A C3A 1.384(5) . ?
C2A H2B 0.9500 . ?
C3A C4A 1.398(5) . ?
C3A H3C 0.9500 . ?
C4A C5A 1.391(6) . ?
C4A H4C 0.9500 . ?
C5A C6A 1.407(5) . ?
C5A H5C 0.9500 . ?
C6A B2A 1.614(6) . ?
B2A C7A 1.619(7) . ?
B2A C25A 1.710(6) . ?
C7A C8A 1.411(7) . ?
C7A C12A 1.438(7) . ?
C8A C9A 1.378(6) . ?
C8A H8C 0.9500 . ?
C9A C10A 1.398(7) . ?
C9A H9C 0.9500 . ?
C10A C11A 1.381(6) . ?
C10A H10E 0.9500 . ?
C11A C12A 1.402(6) . ?
C11A H11E 0.9500 . ?
C13A C18A 1.408(7) . ?
C13A C14A 1.430(8) . ?
C14A C15A 1.402(9) . ?
C14A P1 1.901(11) . ?
C15A C16A 1.391(8) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.373(7) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.395(6) . ?
C17A H17A 0.9500 . ?
C18A H18A 0.9500 . ?
P1 C14B 1.760(13) . ?
P1 C19A 1.8541(15) . ?
P1 C22A 1.8635(14) . ?
C19A C21A 1.524(2) . ?
C19A C20A 1.533(2) . ?
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 1.532(2) . ?
C22A C23A 1.533(2) . ?
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 1.411(2) . ?
C25A C26A 1.413(2) . ?
C25A B2B 1.596(7) . ?
C26A C27A 1.406(2) . ?
C26A P2 1.8310(15) . ?
C27A C28A 1.391(2) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.383(2) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.383(2) . ?
C29A H29A 0.9500 . ?
C30A H30A 0.9500 . ?
P2 C34A 1.8517(15) . ?
P2 C31A 1.8710(17) . ?
C31A C33A 1.531(3) . ?
C31A C32A 1.531(2) . ?
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 1.528(2) . ?
C34A C36A 1.529(2) . ?
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 . ?
K1 O2C 2.814(4) . ?
K1 O4C 2.907(6) . ?
K1 O6C 2.915(5) . ?
K1 O1C 2.957(4) . ?
K1 O3C 3.008(4) . ?
K1 O5C 3.111(5) . ?
O1C C1C 1.408(5) . ?
O1C C12C 1.434(5) . ?
C1C C2C 1.498(5) . ?
C1C H1C 0.9900 . ?
C1C H1D 0.9900 . ?
C2C O2C 1.420(5) . ?
C2C H2C 0.9900 . ?
C2C H2D 0.9900 . ?
O2C C3C 1.399(4) . ?
C3C C4C 1.505(6) . ?
C3C H3A 0.9900 . ?
C3C H3B 0.9900 . ?
C4C O3C 1.434(5) . ?
C4C H4A 0.9900 . ?
C4C H4B 0.9900 . ?
O3C C5C 1.411(6) . ?
C5C C6C 1.507(7) . ?
C5C H5A 0.9900 . ?
C5C H5B 0.9900 . ?
C6C O4C 1.409(8) . ?
C6C H6A 0.9900 . ?
C6C H6B 0.9900 . ?
O4C C7C 1.416(6) . ?
C7C C8C 1.502(7) . ?
C7C H7A 0.9900 . ?
C7C H7B 0.9900 . ?
C8C O5C 1.416(5) . ?
C8C H8A 0.9900 . ?
C8C H8B 0.9900 . ?
O5C C9C 1.436(6) . ?
C9C C10C 1.499(6) . ?
C9C H9A 0.9900 . ?
C9C H9B 0.9900 . ?
C10C O6C 1.429(5) . ?
C10C H10A 0.9900 . ?
C10C H10B 0.9900 . ?
O6C C11C 1.418(5) . ?
C11C C12C 1.509(6) . ?
C11C H11A 0.9900 . ?
C11C H11B 0.9900 . ?
C12C H12A 0.9900 . ?
C12C H12B 0.9900 . ?
B1B O1B 1.512(6) . ?
B1B C12B 1.619(7) . ?
B1B C1B 1.628(7) . ?
B1B C13B 1.650(8) . ?
O1B K2 2.691(5) . ?
O1B H1B 0.8400 . ?
C1B C2B 1.409(6) . ?
C1B C6B 1.429(6) . ?
C2B C3B 1.381(6) . ?
C2B H2F 0.9500 . ?
C3B C4B 1.388(6) . ?
C3B H3F 0.9500 . ?
C4B C5B 1.389(6) . ?
C4B H4F 0.9500 . ?
C5B C6B 1.403(6) . ?
C5B H5F 0.9500 . ?
C6B B2B 1.617(7) . ?
B2B C7B 1.626(7) . ?
B2B H2B1 1.1000 . ?
C7B C8B 1.411(7) . ?
C7B C12B 1.432(8) . ?
C8B C9B 1.376(7) . ?
C8B H8F 0.9500 . ?
C9B C10B 1.393(8) . ?
C9B H9F 0.9500 . ?
C10B C11B 1.389(7) . ?
C10B H10F 0.9500 . ?
C11B C12B 1.407(6) . ?
C11B H11F 0.9500 . ?
C13B C18B 1.407(7) . ?
C13B C14B 1.410(9) . ?
C14B C15B 1.415(10) . ?
C15B C16B 1.384(9) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.380(8) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.384(7) . ?
C17B H17B 0.9500 . ?
C18B H18B 0.9500 . ?
K2 O6D 2.837(6) . ?
K2 O3D 2.846(5) . ?
K2 O4D 2.868(7) . ?
K2 O2D 2.903(5) . ?
K2 O1D 2.955(5) . ?
K2 O5D 3.065(6) . ?
K2 C5D 3.503(6) . ?
O1D C1D 1.390(6) . ?
O1D C12D 1.430(7) . ?
C1D C2D 1.509(8) . ?
C1D H1E 0.9900 . ?
C1D H1F 0.9900 . ?
C2D O2D 1.414(6) . ?
C2D H2G 0.9900 . ?
C2D H2H 0.9900 . ?
O2D C3D 1.386(7) . ?
C3D C4D 1.484(8) . ?
C3D H3D 0.9900 . ?
C3D H3E 0.9900 . ?
C4D O3D 1.420(6) . ?
C4D H4D 0.9900 . ?
C4D H4E 0.9900 . ?
O3D C5D 1.420(7) . ?
C5D C6D 1.512(8) . ?
C5D H5D 0.9900 . ?
C5D H5E 0.9900 . ?
C6D O4D 1.396(8) . ?
C6D H6C 0.9900 . ?
C6D H6D 0.9900 . ?
O4D C7D 1.394(8) . ?
C7D C8D 1.487(9) . ?
C7D H7C 0.9900 . ?
C7D H7D 0.9900 . ?
C8D O5D 1.389(8) . ?
C8D H8D 0.9900 . ?
C8D H8E 0.9900 . ?
O5D C9D 1.409(8) . ?
C9D C10D 1.486(9) . ?
C9D H9D 0.9900 . ?
C9D H9E 0.9900 . ?
C10D O6D 1.396(8) . ?
C10D H10C 0.9900 . ?
C10D H10D 0.9900 . ?
O6D C11D 1.428(8) . ?
C11D C12D 1.487(9) . ?
C11D H11C 0.9900 . ?
C11D H11D 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
P2 Au1 P1 159.870(13) . . ?
O1A B1A C12A 106.8(4) . . ?
O1A B1A C1A 107.0(4) . . ?
C12A B1A C1A 112.1(4) . . ?
O1A B1A C13A 108.6(4) . . ?
C12A B1A C13A 113.4(4) . . ?
C1A B1A C13A 108.6(3) . . ?
B1A O1A K1 124.2(3) . . ?
B1A O1A H1A 109.5 . . ?
K1 O1A H1A 91.6 . . ?
B2A O2A K1 126.4(4) . . ?
B2A O2A2 K1 134.5(5) . . ?
C2A C1A C6A 118.0(4) . . ?
C2A C1A B1A 122.8(3) . . ?
C6A C1A B1A 119.2(4) . . ?
C3A C2A C1A 123.3(4) . . ?
C3A C2A H2B 118.4 . . ?
C1A C2A H2B 118.4 . . ?
C2A C3A C4A 119.1(4) . . ?
C2A C3A H3C 120.5 . . ?
C4A C3A H3C 120.5 . . ?
C5A C4A C3A 118.9(4) . . ?
C5A C4A H4C 120.6 . . ?
C3A C4A H4C 120.6 . . ?
C4A C5A C6A 123.4(4) . . ?
C4A C5A H5C 118.3 . . ?
C6A C5A H5C 118.3 . . ?
C5A C6A C1A 117.4(4) . . ?
C5A C6A B2A 122.4(4) . . ?
C1A C6A B2A 120.2(4) . . ?
O2A2 B2A C6A 92.2(5) . . ?
O2A B2A C6A 111.7(4) . . ?
O2A2 B2A C7A 125.5(6) . . ?
O2A B2A C7A 97.1(5) . . ?
C6A B2A C7A 111.8(4) . . ?
O2A2 B2A C25A 98.9(4) . . ?
O2A B2A C25A 111.3(4) . . ?
C6A B2A C25A 107.5(3) . . ?
C7A B2A C25A 117.3(4) . . ?
C8A C7A C12A 117.0(5) . . ?
C8A C7A B2A 122.6(5) . . ?
C12A C7A B2A 120.1(5) . . ?
C9A C8A C7A 123.7(6) . . ?
C9A C8A H8C 118.1 . . ?
C7A C8A H8C 118.1 . . ?
C8A C9A C10A 118.9(5) . . ?
C8A C9A H9C 120.6 . . ?
C10A C9A H9C 120.6 . . ?
C11A C10A C9A 119.1(5) . . ?
C11A C10A H10E 120.5 . . ?
C9A C10A H10E 120.5 . . ?
C10A C11A C12A 123.4(6) . . ?
C10A C11A H11E 118.3 . . ?
C12A C11A H11E 118.3 . . ?
C11A C12A C7A 117.9(5) . . ?
C11A C12A B1A 122.3(5) . . ?
C7A C12A B1A 119.2(5) . . ?
C18A C13A C14A 115.1(6) . . ?
C18A C13A B1A 118.0(5) . . ?
C14A C13A B1A 126.0(7) . . ?
C15A C14A C13A 120.8(9) . . ?
C15A C14A P1 117.8(7) . . ?
C13A C14A P1 121.5(8) . . ?
C16A C15A C14A 121.7(9) . . ?
C16A C15A H15A 119.1 . . ?
C14A C15A H15A 119.1 . . ?
C17A C16A C15A 118.4(7) . . ?
C17A C16A H16A 120.8 . . ?
C15A C16A H16A 120.8 . . ?
C16A C17A C18A 120.7(6) . . ?
C16A C17A H17A 119.6 . . ?
C18A C17A H17A 119.6 . . ?
C17A C18A C13A 123.1(5) . . ?
C17A C18A H18A 118.4 . . ?
C13A C18A H18A 118.4 . . ?
C14B P1 C19A 101.4(3) . . ?
C14B P1 C22A 106.41(18) . . ?
C19A P1 C22A 106.56(7) . . ?
C19A P1 C14A 106.5(3) . . ?
C22A P1 C14A 100.94(14) . . ?
C14B P1 Au1 120.4(4) . . ?
C19A P1 Au1 110.30(5) . . ?
C22A P1 Au1 110.68(5) . . ?
C14A P1 Au1 120.8(3) . . ?
C21A C19A C20A 110.84(15) . . ?
C21A C19A P1 110.93(11) . . ?
C20A C19A P1 109.93(12) . . ?
C21A C19A H19A 108.4 . . ?
C20A C19A H19A 108.4 . . ?
P1 C19A H19A 108.4 . . ?
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 111.08(12) . . ?
C24A C22A P1 112.43(10) . . ?
C23A C22A P1 115.27(11) . . ?
C24A C22A H22A 105.7 . . ?
C23A C22A H22A 105.7 . . ?
P1 C22A H22A 105.7 . . ?
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 115.44(14) . . ?
C30A C25A B2B 119.3(3) . . ?
C26A C25A B2B 124.8(3) . . ?
C30A C25A B2A 115.8(2) . . ?
C26A C25A B2A 127.8(2) . . ?
C27A C26A C25A 120.96(14) . . ?
C27A C26A P2 117.58(12) . . ?
C25A C26A P2 121.39(11) . . ?
C28A C27A C26A 121.10(15) . . ?
C28A C27A H27A 119.5 . . ?
C26A C27A H27A 119.5 . . ?
C29A C28A C27A 118.86(14) . . ?
C29A C28A H28A 120.6 . . ?
C27A C28A H28A 120.6 . . ?
C28A C29A C30A 119.91(14) . . ?
C28A C29A H29A 120.0 . . ?
C30A C29A H29A 120.0 . . ?
C29A C30A C25A 123.54(16) . . ?
C29A C30A H30A 118.2 . . ?
C25A C30A H30A 118.2 . . ?
C26A P2 C34A 104.93(7) . . ?
C26A P2 C31A 103.26(8) . . ?
C34A P2 C31A 106.08(8) . . ?
C26A P2 Au1 118.77(5) . . ?
C34A P2 Au1 111.69(5) . . ?
C31A P2 Au1 111.07(5) . . ?
C33A C31A C32A 110.86(18) . . ?
C33A C31A P2 115.54(12) . . ?
C32A C31A P2 111.39(11) . . ?
C33A C31A H31A 106.1 . . ?
C32A C31A H31A 106.1 . . ?
P2 C31A H31A 106.1 . . ?
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 110.10(13) . . ?
C35A C34A P2 110.23(10) . . ?
C36A C34A P2 111.86(11) . . ?
C35A C34A H34A 108.2 . . ?
C36A C34A H34A 108.2 . . ?
P2 C34A H34A 108.2 . . ?
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 . . ?
O2A2 K1 O1A 81.4(2) . . ?
O2A K1 O1A 73.67(15) . . ?
O2A2 K1 O2C 118.1(3) . . ?
O2A K1 O2C 132.25(19) . . ?
O1A K1 O2C 89.44(14) . . ?
O2A2 K1 O4C 64.4(3) . . ?
O2A K1 O4C 71.1(2) . . ?
O1A K1 O4C 144.7(2) . . ?
O2C K1 O4C 113.46(16) . . ?
O2A2 K1 O6C 121.0(2) . . ?
O2A K1 O6C 103.62(19) . . ?
O1A K1 O6C 78.82(14) . . ?
O2C K1 O6C 116.66(13) . . ?
O4C K1 O6C 110.72(16) . . ?
O2A2 K1 O1C 153.5(2) . . ?
O2A K1 O1C 144.02(17) . . ?
O1A K1 O1C 72.39(12) . . ?
O2C K1 O1C 58.89(10) . . ?
O4C K1 O1C 142.1(2) . . ?
O6C K1 O1C 58.22(10) . . ?
O2A2 K1 O3C 87.5(2) . . ?
O2A K1 O3C 104.16(18) . . ?
O1A K1 O3C 134.92(17) . . ?
O2C K1 O3C 58.06(10) . . ?
O4C K1 O3C 55.64(14) . . ?
O6C K1 O3C 141.42(15) . . ?
O1C K1 O3C 108.06(12) . . ?
O2A2 K1 O5C 89.2(2) . . ?
O2A K1 O5C 80.05(17) . . ?
O1A K1 O5C 119.95(14) . . ?
O2C K1 O5C 143.59(13) . . ?
O4C K1 O5C 54.70(12) . . ?
O6C K1 O5C 56.38(11) . . ?
O1C K1 O5C 107.15(13) . . ?
O3C K1 O5C 103.31(12) . . ?
C1C O1C C12C 112.7(4) . . ?
C1C O1C K1 103.4(3) . . ?
C12C O1C K1 107.1(2) . . ?
O1C C1C C2C 107.7(3) . . ?
O1C C1C H1C 110.2 . . ?
C2C C1C H1C 110.2 . . ?
O1C C1C H1D 110.2 . . ?
C2C C1C H1D 110.2 . . ?
H1C C1C H1D 108.5 . . ?
O2C C2C C1C 109.2(3) . . ?
O2C C2C H2C 109.8 . . ?
C1C C2C H2C 109.8 . . ?
O2C C2C H2D 109.8 . . ?
C1C C2C H2D 109.8 . . ?
H2C C2C H2D 108.3 . . ?
C3C O2C C2C 112.0(3) . . ?
C3C O2C K1 122.0(2) . . ?
C2C O2C K1 118.5(2) . . ?
O2C C3C C4C 107.7(3) . . ?
O2C C3C H3A 110.2 . . ?
C4C C3C H3A 110.2 . . ?
O2C C3C H3B 110.2 . . ?
C4C C3C H3B 110.2 . . ?
H3A C3C H3B 108.5 . . ?
O3C C4C C3C 109.0(3) . . ?
O3C C4C H4A 109.9 . . ?
C3C C4C H4A 109.9 . . ?
O3C C4C H4B 109.9 . . ?
C3C C4C H4B 109.9 . . ?
H4A C4C H4B 108.3 . . ?
C5C O3C C4C 111.0(3) . . ?
C5C O3C K1 108.0(3) . . ?
C4C O3C K1 103.0(2) . . ?
O3C C5C C6C 108.9(5) . . ?
O3C C5C H5A 109.9 . . ?
C6C C5C H5A 109.9 . . ?
O3C C5C H5B 109.9 . . ?
C6C C5C H5B 109.9 . . ?
H5A C5C H5B 108.3 . . ?
O4C C6C C5C 107.2(5) . . ?
O4C C6C H6A 110.3 . . ?
C5C C6C H6A 110.3 . . ?
O4C C6C H6B 110.3 . . ?
C5C C6C H6B 110.3 . . ?
H6A C6C H6B 108.5 . . ?
C6C O4C C7C 110.9(5) . . ?
C6C O4C K1 123.3(4) . . ?
C7C O4C K1 123.3(4) . . ?
O4C C7C C8C 109.8(5) . . ?
O4C C7C H7A 109.7 . . ?
C8C C7C H7A 109.7 . . ?
O4C C7C H7B 109.7 . . ?
C8C C7C H7B 109.7 . . ?
H7A C7C H7B 108.2 . . ?
O5C C8C C7C 107.6(4) . . ?
O5C C8C H8A 110.2 . . ?
C7C C8C H8A 110.2 . . ?
O5C C8C H8B 110.2 . . ?
C7C C8C H8B 110.2 . . ?
H8A C8C H8B 108.5 . . ?
C8C O5C C9C 110.6(4) . . ?
C8C O5C K1 103.5(3) . . ?
C9C O5C K1 106.9(3) . . ?
O5C C9C C10C 109.1(4) . . ?
O5C C9C H9A 109.9 . . ?
C10C C9C H9A 109.9 . . ?
O5C C9C H9B 109.9 . . ?
C10C C9C H9B 109.9 . . ?
H9A C9C H9B 108.3 . . ?
O6C C10C C9C 108.5(4) . . ?
O6C C10C H10A 110.0 . . ?
C9C C10C H10A 110.0 . . ?
O6C C10C H10B 110.0 . . ?
C9C C10C H10B 110.0 . . ?
H10A C10C H10B 108.4 . . ?
C11C O6C C10C 109.8(4) . . ?
C11C O6C K1 118.0(3) . . ?
C10C O6C K1 122.0(3) . . ?
O6C C11C C12C 109.6(4) . . ?
O6C C11C H11A 109.8 . . ?
C12C C11C H11A 109.8 . . ?
O6C C11C H11B 109.8 . . ?
C12C C11C H11B 109.8 . . ?
H11A C11C H11B 108.2 . . ?
O1C C12C C11C 108.2(3) . . ?
O1C C12C H12A 110.1 . . ?
C11C C12C H12A 110.1 . . ?
O1C C12C H12B 110.1 . . ?
C11C C12C H12B 110.1 . . ?
H12A C12C H12B 108.4 . . ?
O1B B1B C12B 107.2(5) . . ?
O1B B1B C1B 107.1(4) . . ?
C12B B1B C1B 111.5(4) . . ?
O1B B1B C13B 107.8(4) . . ?
C12B B1B C13B 114.1(5) . . ?
C1B B1B C13B 108.8(4) . . ?
B1B O1B K2 133.6(3) . . ?
B1B O1B H1B 109.5 . . ?
K2 O1B H1B 82.5 . . ?
C2B C1B C6B 117.8(4) . . ?
C2B C1B B1B 122.0(4) . . ?
C6B C1B B1B 119.9(4) . . ?
C3B C2B C1B 123.1(4) . . ?
C3B C2B H2F 118.5 . . ?
C1B C2B H2F 118.5 . . ?
C2B C3B C4B 119.2(4) . . ?
C2B C3B H3F 120.4 . . ?
C4B C3B H3F 120.4 . . ?
C3B C4B C5B 119.2(4) . . ?
C3B C4B H4F 120.4 . . ?
C5B C4B H4F 120.4 . . ?
C4B C5B C6B 123.0(4) . . ?
C4B C5B H5F 118.5 . . ?
C6B C5B H5F 118.5 . . ?
C5B C6B C1B 117.8(4) . . ?
C5B C6B B2B 122.2(4) . . ?
C1B C6B B2B 119.9(4) . . ?
C25A B2B C6B 121.0(4) . . ?
C25A B2B C7B 106.4(4) . . ?
C6B B2B C7B 111.3(5) . . ?
C25A B2B H2B1 105.7 . . ?
C6B B2B H2B1 105.7 . . ?
C7B B2B H2B1 105.7 . . ?
C8B C7B C12B 117.5(5) . . ?
C8B C7B B2B 122.5(6) . . ?
C12B C7B B2B 119.6(5) . . ?
C9B C8B C7B 123.3(7) . . ?
C9B C8B H8F 118.4 . . ?
C7B C8B H8F 118.4 . . ?
C8B C9B C10B 119.4(6) . . ?
C8B C9B H9F 120.3 . . ?
C10B C9B H9F 120.3 . . ?
C11B C10B C9B 119.0(6) . . ?
C11B C10B H10F 120.5 . . ?
C9B C10B H10F 120.5 . . ?
C10B C11B C12B 123.0(6) . . ?
C10B C11B H11F 118.5 . . ?
C12B C11B H11F 118.5 . . ?
C11B C12B C7B 117.8(5) . . ?
C11B C12B B1B 122.1(6) . . ?
C7B C12B B1B 120.0(5) . . ?
C18B C13B C14B 115.4(7) . . ?
C18B C13B B1B 118.7(6) . . ?
C14B C13B B1B 125.4(7) . . ?
C13B C14B C15B 120.6(10) . . ?
C13B C14B P1 122.3(9) . . ?
C15B C14B P1 117.1(8) . . ?
C16B C15B C14B 120.9(10) . . ?
C16B C15B H15B 119.6 . . ?
C14B C15B H15B 119.5 . . ?
C17B C16B C15B 119.5(9) . . ?
C17B C16B H16B 120.3 . . ?
C15B C16B H16B 120.3 . . ?
C16B C17B C18B 119.3(7) . . ?
C16B C17B H17B 120.4 . . ?
C18B C17B H17B 120.4 . . ?
C17B C18B C13B 123.9(5) . . ?
C17B C18B H18B 118.0 . . ?
C13B C18B H18B 118.0 . . ?
O1B K2 O6D 100.90(19) . . ?
O1B K2 O3D 102.96(19) . . ?
O6D K2 O3D 149.73(19) . . ?
O1B K2 O4D 136.7(2) . . ?
O6D K2 O4D 112.6(2) . . ?
O3D K2 O4D 58.82(17) . . ?
O1B K2 O2D 64.83(14) . . ?
O6D K2 O2D 117.28(18) . . ?
O3D K2 O2D 58.89(14) . . ?
O4D K2 O2D 117.4(2) . . ?
O1B K2 O1D 75.85(15) . . ?
O6D K2 O1D 59.85(16) . . ?
O3D K2 O1D 108.76(16) . . ?
O4D K2 O1D 144.9(2) . . ?
O2D K2 O1D 57.44(14) . . ?
O1B K2 O5D 143.3(2) . . ?
O6D K2 O5D 57.85(17) . . ?
O3D K2 O5D 108.70(17) . . ?
O4D K2 O5D 54.90(16) . . ?
O2D K2 O5D 149.66(18) . . ?
O1D K2 O5D 109.90(18) . . ?
O1B K2 C5D 106.30(19) . . ?
O6D K2 C5D 152.4(2) . . ?
O3D K2 C5D 22.99(13) . . ?
O4D K2 C5D 41.68(17) . . ?
O2D K2 C5D 79.42(17) . . ?
O1D K2 C5D 131.76(18) . . ?
O5D K2 C5D 96.29(18) . . ?
C1D O1D C12D 112.3(5) . . ?
C1D O1D K2 111.6(3) . . ?
C12D O1D K2 105.4(4) . . ?
O1D C1D C2D 108.7(4) . . ?
O1D C1D H1E 109.9 . . ?
C2D C1D H1E 109.9 . . ?
O1D C1D H1F 109.9 . . ?
C2D C1D H1F 109.9 . . ?
H1E C1D H1F 108.3 . . ?
O2D C2D C1D 110.4(4) . . ?
O2D C2D H2G 109.6 . . ?
C1D C2D H2G 109.6 . . ?
O2D C2D H2H 109.6 . . ?
C1D C2D H2H 109.6 . . ?
H2G C2D H2H 108.1 . . ?
C3D O2D C2D 112.2(4) . . ?
C3D O2D K2 116.1(3) . . ?
C2D O2D K2 118.8(3) . . ?
O2D C3D C4D 109.6(4) . . ?
O2D C3D H3D 109.8 . . ?
C4D C3D H3D 109.8 . . ?
O2D C3D H3E 109.8 . . ?
C4D C3D H3E 109.8 . . ?
H3D C3D H3E 108.2 . . ?
O3D C4D C3D 109.2(4) . . ?
O3D C4D H4D 109.8 . . ?
C3D C4D H4D 109.8 . . ?
O3D C4D H4E 109.8 . . ?
C3D C4D H4E 109.8 . . ?
H4D C4D H4E 108.3 . . ?
C4D O3D C5D 112.1(4) . . ?
C4D O3D K2 109.2(3) . . ?
C5D O3D K2 105.4(3) . . ?
O3D C5D C6D 108.4(4) . . ?
O3D C5D K2 51.6(2) . . ?
C6D C5D K2 86.6(3) . . ?
O3D C5D H5D 110.0 . . ?
C6D C5D H5D 110.0 . . ?
K2 C5D H5D 159.5 . . ?
O3D C5D H5E 110.0 . . ?
C6D C5D H5E 110.0 . . ?
K2 C5D H5E 75.1 . . ?
H5D C5D H5E 108.4 . . ?
O4D C6D C5D 107.2(5) . . ?
O4D C6D H6C 110.3 . . ?
C5D C6D H6C 110.3 . . ?
O4D C6D H6D 110.3 . . ?
C5D C6D H6D 110.3 . . ?
H6C C6D H6D 108.5 . . ?
C7D O4D C6D 112.7(6) . . ?
C7D O4D K2 124.8(4) . . ?
C6D O4D K2 118.0(5) . . ?
O4D C7D C8D 108.5(6) . . ?
O4D C7D H7C 110.0 . . ?
C8D C7D H7C 110.0 . . ?
O4D C7D H7D 110.0 . . ?
C8D C7D H7D 110.0 . . ?
H7C C7D H7D 108.4 . . ?
O5D C8D C7D 108.8(5) . . ?
O5D C8D H8D 109.9 . . ?
C7D C8D H8D 109.9 . . ?
O5D C8D H8E 109.9 . . ?
C7D C8D H8E 109.9 . . ?
H8D C8D H8E 108.3 . . ?
C8D O5D C9D 113.6(6) . . ?
C8D O5D K2 108.9(4) . . ?
C9D O5D K2 103.5(4) . . ?
O5D C9D C10D 110.7(5) . . ?
O5D C9D H9D 109.5 . . ?
C10D C9D H9D 109.5 . . ?
O5D C9D H9E 109.5 . . ?
C10D C9D H9E 109.5 . . ?
H9D C9D H9E 108.1 . . ?
O6D C10D C9D 110.9(5) . . ?
O6D C10D H10C 109.5 . . ?
C9D C10D H10C 109.5 . . ?
O6D C10D H10D 109.5 . . ?
C9D C10D H10D 109.5 . . ?
H10C C10D H10D 108.1 . . ?
C10D O6D C11D 112.3(5) . . ?
C10D O6D K2 121.1(4) . . ?
C11D O6D K2 117.4(4) . . ?
O6D C11D C12D 109.6(4) . . ?
O6D C11D H11C 109.8 . . ?
C12D C11D H11C 109.8 . . ?
O6D C11D H11D 109.8 . . ?
C12D C11D H11D 109.8 . . ?
H11C C11D H11D 108.2 . . ?
O1D C12D C11D 110.0(5) . . ?
O1D C12D H12C 109.7 . . ?
C11D C12D H12C 109.7 . . ?
O1D C12D H12D 109.7 . . ?
C11D C12D H12D 109.7 . . ?
H12C C12D H12D 108.2 . . ?

_refine_diff_density_max         0.607
_refine_diff_density_min         -0.558
_refine_diff_density_rms         0.055

####################################################################### 
# 
# 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_hh246JT122r_0m
_database_code_depnum_ccdc_archive 'CCDC 2018633'
loop_
_audit_author_name
_audit_author_address
'Fook Tham'
;University of California Riverside
United States of America
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H45 Au B2 O P2'
_chemical_formula_weight         774.24

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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   19.5549(3)
_cell_length_b                   17.1275(3)
_cell_length_c                   19.6848(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6592.96(18)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9254
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      40.28

_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    1.560
_exptl_crystal_F_000             3104
_exptl_transmission_factor_min   0.563
_exptl_transmission_factor_max   0.747
_exptl_crystal_size_max          0.368
_exptl_crystal_size_mid          0.302
_exptl_crystal_size_min          0.198
_exptl_absorpt_coefficient_mu    4.588
_shelx_estimated_absorpt_T_min   0.283
_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            236655
_diffrn_reflns_av_unetI/netI     0.0085
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.889
_diffrn_reflns_theta_max         30.506
_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             10069
_reflns_number_gt                8556
_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)+(0.0146P)²+5.2537P] 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         10069
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0148
_refine_ls_wR_factor_ref         0.0369
_refine_ls_wR_factor_gt          0.0344
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.008
_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 0.92817(2) 0.74906(2) 0.16448(2) 0.01178(2) Uani 1 1 d . . . . .
B1 B 0.87613(8) 0.93584(9) 0.22697(8) 0.0142(3) Uani 1 1 d . . . . .
O1 O 0.86852(5) 1.02449(6) 0.23220(6) 0.0201(2) Uani 1 1 d . . . . .
H1 H 0.8965 1.0461 0.2059 0.030 Uiso 1 1 calc R U . . .
C1 C 0.85271(7) 0.91204(7) 0.15011(7) 0.0136(2) Uani 1 1 d . . . . .
C2 C 0.78367(7) 0.92153(8) 0.13089(8) 0.0175(3) Uani 1 1 d . . . . .
H2 H 0.7511 0.9348 0.1647 0.021 Uiso 1 1 calc R U . . .
C3 C 0.76172(7) 0.91214(9) 0.06441(8) 0.0212(3) Uani 1 1 d . . . . .
H3 H 0.7148 0.9189 0.0535 0.025 Uiso 1 1 calc R U . . .
C4 C 0.80837(8) 0.89275(9) 0.01355(8) 0.0216(3) Uani 1 1 d . . . . .
H4 H 0.7935 0.8864 -0.0321 0.026 Uiso 1 1 calc R U . . .
C5 C 0.87662(7) 0.88289(8) 0.03039(7) 0.0176(3) Uani 1 1 d . . . . .
H5 H 0.9085 0.8700 -0.0043 0.021 Uiso 1 1 calc R U . . .
C6 C 0.89998(7) 0.89162(7) 0.09812(7) 0.0140(2) Uani 1 1 d . . . . .
B2 B 0.97710(8) 0.87995(8) 0.11634(8) 0.0140(3) Uani 1 1 d . . . . .
C7 C 1.00313(7) 0.89496(7) 0.19011(7) 0.0141(2) Uani 1 1 d . . . . .
C8 C 1.07357(7) 0.88795(8) 0.20549(8) 0.0178(3) Uani 1 1 d . . . . .
H8 H 1.1048 0.8748 0.1703 0.021 Uiso 1 1 calc R U . . .
C9 C 1.09785(7) 0.89978(8) 0.27053(8) 0.0212(3) Uani 1 1 d . . . . .
H9 H 1.1453 0.8949 0.2800 0.025 Uiso 1 1 calc R U . . .
C10 C 1.05202(8) 0.91892(9) 0.32225(8) 0.0216(3) Uani 1 1 d . . . . .
H10 H 1.0682 0.9262 0.3673 0.026 Uiso 1 1 calc R U . . .
C11 C 0.98280(7) 0.92731(8) 0.30791(8) 0.0187(3) Uani 1 1 d . . . . .
H11 H 0.9524 0.9412 0.3436 0.022 Uiso 1 1 calc R U . . .
C12 C 0.95640(7) 0.91586(7) 0.24220(7) 0.0142(2) Uani 1 1 d . . . . .
C13 C 0.82584(7) 0.89879(8) 0.28563(7) 0.0139(2) Uani 1 1 d . . . . .
C14 C 0.81822(7) 0.81924(8) 0.30372(7) 0.0136(2) Uani 1 1 d . . . . .
C15 C 0.77524(7) 0.79683(9) 0.35771(7) 0.0167(2) Uani 1 1 d . . . . .
H15 H 0.7713 0.7431 0.3689 0.020 Uiso 1 1 calc R U . . .
C16 C 0.73858(7) 0.85142(9) 0.39492(7) 0.0192(3) Uani 1 1 d . . . . .
H16 H 0.7102 0.8355 0.4315 0.023 Uiso 1 1 calc R U . . .
C17 C 0.74419(8) 0.92956(9) 0.37767(8) 0.0216(3) Uani 1 1 d . . . . .
H17 H 0.7190 0.9678 0.4021 0.026 Uiso 1 1 calc R U . . .
C18 C 0.78682(7) 0.95191(8) 0.32446(8) 0.0189(3) Uani 1 1 d . . . . .
H18 H 0.7898 1.0059 0.3137 0.023 Uiso 1 1 calc R U . . .
P1 P 0.85480(2) 0.73658(2) 0.25702(2) 0.01229(6) Uani 1 1 d . . . . .
C19 C 0.77752(7) 0.68035(8) 0.23231(7) 0.0167(3) Uani 1 1 d . . . . .
H19 H 0.7582 0.6558 0.2742 0.020 Uiso 1 1 calc R U . . .
C20 C 0.72359(8) 0.73551(9) 0.20300(8) 0.0219(3) Uani 1 1 d . . . . .
H20A H 0.7415 0.7603 0.1618 0.033 Uiso 1 1 calc R U . . .
H20B H 0.7125 0.7758 0.2366 0.033 Uiso 1 1 calc R U . . .
H20C H 0.6822 0.7058 0.1919 0.033 Uiso 1 1 calc R U . . .
C21 C 0.79210(9) 0.61529(9) 0.18070(9) 0.0256(3) Uani 1 1 d . . . . .
H21A H 0.7504 0.5847 0.1732 0.038 Uiso 1 1 calc R U . . .
H21B H 0.8282 0.5812 0.1983 0.038 Uiso 1 1 calc R U . . .
H21C H 0.8069 0.6385 0.1376 0.038 Uiso 1 1 calc R U . . .
C22 C 0.89937(8) 0.67962(9) 0.32381(7) 0.0191(3) Uani 1 1 d . . . . .
H22 H 0.8704 0.6816 0.3657 0.023 Uiso 1 1 calc R U . . .
C23 C 0.96721(9) 0.71936(12) 0.34039(8) 0.0297(4) Uani 1 1 d . . . . .
H23A H 0.9878 0.6943 0.3802 0.045 Uiso 1 1 calc R U . . .
H23B H 0.9591 0.7747 0.3501 0.045 Uiso 1 1 calc R U . . .
H23C H 0.9982 0.7146 0.3015 0.045 Uiso 1 1 calc R U . . .
C24 C 0.91045(12) 0.59363(11) 0.30619(10) 0.0391(5) Uani 1 1 d . . . . .
H24A H 0.9357 0.5897 0.2633 0.059 Uiso 1 1 calc R U . . .
H24B H 0.8660 0.5677 0.3015 0.059 Uiso 1 1 calc R U . . .
H24C H 0.9367 0.5684 0.3425 0.059 Uiso 1 1 calc R U . . .
C25 C 1.03020(7) 0.86108(8) 0.05759(7) 0.0141(2) Uani 1 1 d . . . . .
C26 C 1.04415(7) 0.78458(8) 0.03555(7) 0.0132(2) Uani 1 1 d . . . . .
C27 C 1.08931(7) 0.77086(9) -0.01853(7) 0.0173(3) Uani 1 1 d . . . . .
H27 H 1.0975 0.7190 -0.0335 0.021 Uiso 1 1 calc R U . . .
C28 C 1.12209(7) 0.83290(9) -0.05015(7) 0.0193(3) Uani 1 1 d . . . . .
H28 H 1.1530 0.8234 -0.0865 0.023 Uiso 1 1 calc R U . . .
C29 C 1.10965(8) 0.90891(9) -0.02857(8) 0.0197(3) Uani 1 1 d . . . . .
H29 H 1.1323 0.9514 -0.0499 0.024 Uiso 1 1 calc R U . . .
C30 C 1.06408(7) 0.92247(8) 0.02421(8) 0.0189(3) Uani 1 1 d . . . . .
H30 H 1.0556 0.9747 0.0382 0.023 Uiso 1 1 calc R U . . .
P2 P 1.00269(2) 0.70569(2) 0.08141(2) 0.01173(6) Uani 1 1 d . . . . .
C31 C 0.96062(7) 0.64330(8) 0.01759(7) 0.0165(3) Uani 1 1 d . . . . .
H31 H 0.9938 0.6330 -0.0200 0.020 Uiso 1 1 calc R U . . .
C32 C 0.89808(8) 0.68430(9) -0.01212(8) 0.0243(3) Uani 1 1 d . . . . .
H32A H 0.8783 0.6519 -0.0482 0.036 Uiso 1 1 calc R U . . .
H32B H 0.9118 0.7349 -0.0310 0.036 Uiso 1 1 calc R U . . .
H32C H 0.8640 0.6924 0.0237 0.036 Uiso 1 1 calc R U . . .
C33 C 0.93999(8) 0.56500(8) 0.04910(8) 0.0219(3) Uani 1 1 d . . . . .
H33A H 0.9144 0.5743 0.0911 0.033 Uiso 1 1 calc R U . . .
H33B H 0.9811 0.5345 0.0593 0.033 Uiso 1 1 calc R U . . .
H33C H 0.9113 0.5360 0.0170 0.033 Uiso 1 1 calc R U . . .
C34 C 1.06922(7) 0.64432(8) 0.12067(7) 0.0156(2) Uani 1 1 d . . . . .
H34 H 1.0452 0.5998 0.1432 0.019 Uiso 1 1 calc R U . . .
C35 C 1.10683(8) 0.68872(9) 0.17638(8) 0.0194(3) Uani 1 1 d . . . . .
H35A H 1.1362 0.6526 0.2016 0.029 Uiso 1 1 calc R U . . .
H35B H 1.0735 0.7123 0.2074 0.029 Uiso 1 1 calc R U . . .
H35C H 1.1349 0.7298 0.1559 0.029 Uiso 1 1 calc R U . . .
C36 C 1.12053(8) 0.60864(9) 0.07045(8) 0.0245(3) Uani 1 1 d . . . . .
H36A H 1.1522 0.6492 0.0548 0.037 Uiso 1 1 calc R U . . .
H36B H 1.0958 0.5869 0.0315 0.037 Uiso 1 1 calc R U . . .
H36C H 1.1463 0.5670 0.0931 0.037 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 P2 2.3129(3) . ?
Au1 P1 2.3286(3) . ?
Au1 B2 2.6151(14) . ?
B1 O1 1.5291(18) . ?
B1 C1 1.633(2) . ?
B1 C12 1.634(2) . ?
B1 C13 1.644(2) . ?
O1 H1 0.8400 . ?
C1 C2 1.4113(19) . ?
C1 C6 1.4226(19) . ?
C2 C3 1.387(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.395(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.417(2) . ?
C5 H5 0.9500 . ?
C6 B2 1.563(2) . ?
B2 C7 1.560(2) . ?
B2 C25 1.588(2) . ?
C7 C8 1.4154(18) . ?
C7 C12 1.4194(18) . ?
C8 C9 1.380(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.395(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.390(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.4064(19) . ?
C11 H11 0.9500 . ?
C13 C18 1.4123(18) . ?
C13 C14 1.4161(19) . ?
C14 C15 1.4083(19) . ?
C14 P1 1.8333(13) . ?
C15 C16 1.3874(19) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(2) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
P1 C22 1.8547(15) . ?
P1 C19 1.8568(14) . ?
C19 C20 1.529(2) . ?
C19 C21 1.535(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 C23 1.526(2) . ?
C22 C24 1.529(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 1.4059(19) . ?
C25 C26 1.4068(18) . ?
C26 C27 1.4029(19) . ?
C26 P2 1.8161(13) . ?
C27 C28 1.388(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.391(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.388(2) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
P2 C34 1.8424(14) . ?
P2 C31 1.8430(14) . ?
C31 C32 1.527(2) . ?
C31 C33 1.532(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 1.524(2) . ?
C34 C36 1.535(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 . ?

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
P2 Au1 P1 155.752(12) . . ?
P2 Au1 B2 77.80(3) . . ?
P1 Au1 B2 125.98(3) . . ?
O1 B1 C1 106.45(11) . . ?
O1 B1 C12 106.80(10) . . ?
C1 B1 C12 112.78(11) . . ?
O1 B1 C13 106.13(11) . . ?
C1 B1 C13 112.75(11) . . ?
C12 B1 C13 111.39(11) . . ?
B1 O1 H1 109.5 . . ?
C2 C1 C6 117.20(13) . . ?
C2 C1 B1 119.21(12) . . ?
C6 C1 B1 123.07(12) . . ?
C3 C2 C1 122.39(13) . . ?
C3 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
C2 C3 C4 120.18(13) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 119.17(14) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 121.50(13) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C5 C6 C1 119.55(12) . . ?
C5 C6 B2 120.88(12) . . ?
C1 C6 B2 119.56(12) . . ?
C7 B2 C6 120.49(12) . . ?
C7 B2 C25 119.88(12) . . ?
C6 B2 C25 119.34(12) . . ?
C7 B2 Au1 85.61(8) . . ?
C6 B2 Au1 80.78(7) . . ?
C25 B2 Au1 109.19(8) . . ?
C8 C7 C12 119.57(13) . . ?
C8 C7 B2 120.18(12) . . ?
C12 C7 B2 120.25(12) . . ?
C9 C8 C7 121.38(13) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 119.35(13) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C11 C10 C9 120.10(14) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 121.99(14) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C11 C12 C7 117.59(12) . . ?
C11 C12 B1 119.48(12) . . ?
C7 C12 B1 122.59(12) . . ?
C18 C13 C14 115.27(12) . . ?
C18 C13 B1 117.04(12) . . ?
C14 C13 B1 127.66(11) . . ?
C15 C14 C13 120.98(12) . . ?
C15 C14 P1 113.63(10) . . ?
C13 C14 P1 125.16(10) . . ?
C16 C15 C14 121.55(14) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C17 C16 C15 118.73(13) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C16 C17 C18 119.84(13) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 123.61(14) . . ?
C17 C18 H18 118.2 . . ?
C13 C18 H18 118.2 . . ?
C14 P1 C22 103.53(6) . . ?
C14 P1 C19 102.37(6) . . ?
C22 P1 C19 107.18(7) . . ?
C14 P1 Au1 124.18(5) . . ?
C22 P1 Au1 108.26(5) . . ?
C19 P1 Au1 110.13(5) . . ?
C20 C19 C21 109.09(13) . . ?
C20 C19 P1 109.86(10) . . ?
C21 C19 P1 113.50(10) . . ?
C20 C19 H19 108.1 . . ?
C21 C19 H19 108.1 . . ?
P1 C19 H19 108.1 . . ?
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 110.80(15) . . ?
C23 C22 P1 109.00(11) . . ?
C24 C22 P1 114.36(12) . . ?
C23 C22 H22 107.5 . . ?
C24 C22 H22 107.5 . . ?
P1 C22 H22 107.5 . . ?
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 117.46(12) . . ?
C30 C25 B2 119.76(12) . . ?
C26 C25 B2 122.76(12) . . ?
C27 C26 C25 120.80(12) . . ?
C27 C26 P2 122.24(10) . . ?
C25 C26 P2 116.94(10) . . ?
C28 C27 C26 120.18(13) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 119.92(13) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 C28 119.83(13) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C29 C30 C25 121.81(13) . . ?
C29 C30 H30 119.1 . . ?
C25 C30 H30 119.1 . . ?
C26 P2 C34 108.53(6) . . ?
C26 P2 C31 106.97(6) . . ?
C34 P2 C31 105.69(6) . . ?
C26 P2 Au1 113.18(4) . . ?
C34 P2 Au1 109.37(5) . . ?
C31 P2 Au1 112.75(5) . . ?
C32 C31 C33 110.30(12) . . ?
C32 C31 P2 110.61(10) . . ?
C33 C31 P2 110.44(10) . . ?
C32 C31 H31 108.5 . . ?
C33 C31 H31 108.5 . . ?
P2 C31 H31 108.5 . . ?
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 110.28(12) . . ?
C35 C34 P2 110.97(9) . . ?
C36 C34 P2 114.73(10) . . ?
C35 C34 H34 106.8 . . ?
C36 C34 H34 106.8 . . ?
P2 C34 H34 106.8 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 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 . . ?

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 B1 C1 C2 -66.96(15) . . . . ?
C12 B1 C1 C2 176.24(12) . . . . ?
C13 B1 C1 C2 49.01(16) . . . . ?
O1 B1 C1 C6 104.50(14) . . . . ?
C12 B1 C1 C6 -12.29(17) . . . . ?
C13 B1 C1 C6 -139.52(12) . . . . ?
C6 C1 C2 C3 -0.4(2) . . . . ?
B1 C1 C2 C3 171.57(13) . . . . ?
C1 C2 C3 C4 -0.1(2) . . . . ?
C2 C3 C4 C5 0.1(2) . . . . ?
C3 C4 C5 C6 0.4(2) . . . . ?
C4 C5 C6 C1 -0.9(2) . . . . ?
C4 C5 C6 B2 179.73(13) . . . . ?
C2 C1 C6 C5 0.89(18) . . . . ?
B1 C1 C6 C5 -170.74(12) . . . . ?
C2 C1 C6 B2 -179.75(12) . . . . ?
B1 C1 C6 B2 8.62(18) . . . . ?
C5 C6 B2 C7 176.00(12) . . . . ?
C1 C6 B2 C7 -3.35(18) . . . . ?
C5 C6 B2 C25 2.21(19) . . . . ?
C1 C6 B2 C25 -177.15(12) . . . . ?
C5 C6 B2 Au1 -104.70(12) . . . . ?
C1 C6 B2 Au1 75.95(11) . . . . ?
C6 B2 C7 C8 -176.93(12) . . . . ?
C25 B2 C7 C8 -3.17(19) . . . . ?
Au1 B2 C7 C8 106.47(12) . . . . ?
C6 B2 C7 C12 2.96(19) . . . . ?
C25 B2 C7 C12 176.72(12) . . . . ?
Au1 B2 C7 C12 -73.64(11) . . . . ?
C12 C7 C8 C9 1.1(2) . . . . ?
B2 C7 C8 C9 -179.03(13) . . . . ?
C7 C8 C9 C10 0.1(2) . . . . ?
C8 C9 C10 C11 -1.1(2) . . . . ?
C9 C10 C11 C12 1.0(2) . . . . ?
C10 C11 C12 C7 0.2(2) . . . . ?
C10 C11 C12 B1 -173.36(13) . . . . ?
C8 C7 C12 C11 -1.19(19) . . . . ?
B2 C7 C12 C11 178.92(12) . . . . ?
C8 C7 C12 B1 172.12(12) . . . . ?
B2 C7 C12 B1 -7.77(18) . . . . ?
O1 B1 C12 C11 68.38(15) . . . . ?
C1 B1 C12 C11 -175.02(12) . . . . ?
C13 B1 C12 C11 -47.07(16) . . . . ?
O1 B1 C12 C7 -104.80(14) . . . . ?
C1 B1 C12 C7 11.79(17) . . . . ?
C13 B1 C12 C7 139.74(12) . . . . ?
O1 B1 C13 C18 2.09(16) . . . . ?
C1 B1 C13 C18 -114.08(13) . . . . ?
C12 B1 C13 C18 117.96(13) . . . . ?
O1 B1 C13 C14 -175.80(12) . . . . ?
C1 B1 C13 C14 68.04(17) . . . . ?
C12 B1 C13 C14 -59.93(17) . . . . ?
C18 C13 C14 C15 -1.07(19) . . . . ?
B1 C13 C14 C15 176.84(13) . . . . ?
C18 C13 C14 P1 173.07(10) . . . . ?
B1 C13 C14 P1 -9.0(2) . . . . ?
C13 C14 C15 C16 0.3(2) . . . . ?
P1 C14 C15 C16 -174.44(11) . . . . ?
C14 C15 C16 C17 0.7(2) . . . . ?
C15 C16 C17 C18 -0.9(2) . . . . ?
C16 C17 C18 C13 0.1(2) . . . . ?
C14 C13 C18 C17 0.9(2) . . . . ?
B1 C13 C18 C17 -177.26(13) . . . . ?
C15 C14 P1 C22 -56.49(11) . . . . ?
C13 C14 P1 C22 128.99(12) . . . . ?
C15 C14 P1 C19 54.84(11) . . . . ?
C13 C14 P1 C19 -119.68(12) . . . . ?
C15 C14 P1 Au1 179.93(8) . . . . ?
C13 C14 P1 Au1 5.41(14) . . . . ?
C14 P1 C19 C20 46.71(11) . . . . ?
C22 P1 C19 C20 155.29(10) . . . . ?
Au1 P1 C19 C20 -87.16(10) . . . . ?
C14 P1 C19 C21 169.14(11) . . . . ?
C22 P1 C19 C21 -82.28(12) . . . . ?
Au1 P1 C19 C21 35.28(12) . . . . ?
C14 P1 C22 C23 -78.16(12) . . . . ?
C19 P1 C22 C23 174.08(11) . . . . ?
Au1 P1 C22 C23 55.31(11) . . . . ?
C14 P1 C22 C24 157.22(13) . . . . ?
C19 P1 C22 C24 49.46(15) . . . . ?
Au1 P1 C22 C24 -69.31(14) . . . . ?
C7 B2 C25 C30 -83.17(17) . . . . ?
C6 B2 C25 C30 90.66(16) . . . . ?
Au1 B2 C25 C30 -179.29(10) . . . . ?
C7 B2 C25 C26 98.49(16) . . . . ?
C6 B2 C25 C26 -87.68(16) . . . . ?
Au1 B2 C25 C26 2.38(16) . . . . ?
C30 C25 C26 C27 -1.1(2) . . . . ?
B2 C25 C26 C27 177.26(13) . . . . ?
C30 C25 C26 P2 177.55(10) . . . . ?
B2 C25 C26 P2 -4.08(18) . . . . ?
C25 C26 C27 C28 1.4(2) . . . . ?
P2 C26 C27 C28 -177.18(11) . . . . ?
C26 C27 C28 C29 -0.6(2) . . . . ?
C27 C28 C29 C30 -0.5(2) . . . . ?
C28 C29 C30 C25 0.8(2) . . . . ?
C26 C25 C30 C29 0.0(2) . . . . ?
B2 C25 C30 C29 -178.38(14) . . . . ?
C27 C26 P2 C34 60.79(13) . . . . ?
C25 C26 P2 C34 -117.85(11) . . . . ?
C27 C26 P2 C31 -52.82(13) . . . . ?
C25 C26 P2 C31 128.54(11) . . . . ?
C27 C26 P2 Au1 -177.61(10) . . . . ?
C25 C26 P2 Au1 3.75(12) . . . . ?
C26 P2 C31 C32 -71.91(11) . . . . ?
C34 P2 C31 C32 172.57(10) . . . . ?
Au1 P2 C31 C32 53.14(11) . . . . ?
C26 P2 C31 C33 165.69(10) . . . . ?
C34 P2 C31 C33 50.17(11) . . . . ?
Au1 P2 C31 C33 -69.26(10) . . . . ?
C26 P2 C34 C35 67.21(11) . . . . ?
C31 P2 C34 C35 -178.34(10) . . . . ?
Au1 P2 C34 C35 -56.70(10) . . . . ?
C26 P2 C34 C36 -58.61(12) . . . . ?
C31 P2 C34 C36 55.84(12) . . . . ?
Au1 P2 C34 C36 177.48(9) . . . . ?

_refine_diff_density_max         0.733
_refine_diff_density_min         -0.305
_refine_diff_density_rms         0.064

_shelxl_version_number           2013-4

