# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_m23071
_database_code_depnum_ccdc_archive 'CCDC 2345565'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2022). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2024-04-03 deposited with the CCDC.	2024-12-05 downloaded from the CCDC.
;

_audit_creation_method           'SHELXL-2019/2 and CIFFIX'

_shelx_SHELXL_version_number     2019/2

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C60 H48 Au Cl0.95 P4, 2(F6 P), 4(C2 H3 N), 0.052(Cl)'
_chemical_formula_sum            'C68 H60 Au Cl F12 N4 P6'
_chemical_formula_weight         1579.43

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   32.0791(12)
_cell_length_b                   9.7153(4)
_cell_length_c                   22.1492(7)
_cell_angle_alpha                90
_cell_angle_beta                 109.019(1)
_cell_angle_gamma                90
_cell_volume                     6526.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9234
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      27.50

_exptl_crystal_description       'cut block'
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_F_000             3160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    2.522
_shelx_estimated_absorpt_T_min   0.660
_shelx_estimated_absorpt_T_max   0.752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.755
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount, scan truncation etc. These account, by and large, for the difference 
between SHELX estimates of Tmin and Tmax and the _exptl_absorpt_correction_ 
values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            50259
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.971
_diffrn_reflns_theta_max         27.528
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999

_reflns_number_total             7507
_reflns_number_gt                7241
_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       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2020) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0140P)²+13.4502P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7507
_refine_ls_number_parameters     420
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0198
_refine_ls_wR_factor_ref         0.0473
_refine_ls_wR_factor_gt          0.0467
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.001
_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 0.500000 0.53499(2) 0.750000 0.00792(3) Uani 1 2 d S T P . .
Cl1 Cl 0.500000 0.81380(7) 0.750000 0.01253(17) Uani 0.9481(18) 2 d S T P A 1
Cl1' Cl 0.500000 0.8957(16) 0.750000 0.01253(17) Uani 0.0519(18) 2 d S T P A 2
P1 P 0.51072(2) 0.52554(5) 0.64794(2) 0.00942(9) Uani 1 1 d . . . . .
P2 P 0.42489(2) 0.51971(5) 0.68287(2) 0.00954(9) Uani 1 1 d . . . . .
C1 C 0.46308(6) 0.61432(19) 0.59591(9) 0.0107(3) Uani 1 1 d . . . . .
C2 C 0.42391(6) 0.60988(19) 0.61063(9) 0.0114(4) Uani 1 1 d . . . . .
C3 C 0.38596(6) 0.6700(2) 0.56970(9) 0.0146(4) Uani 1 1 d . . . . .
H3 H 0.359120 0.665202 0.579042 0.017 Uiso 1 1 calc R U . . .
C4 C 0.38733(7) 0.7375(2) 0.51486(9) 0.0159(4) Uani 1 1 d . . . . .
H4 H 0.361388 0.778757 0.486807 0.019 Uiso 1 1 calc R U . . .
C5 C 0.42638(7) 0.7444(2) 0.50120(9) 0.0158(4) Uani 1 1 d . . . . .
H5 H 0.427234 0.792197 0.464198 0.019 Uiso 1 1 calc R U . . .
C6 C 0.46429(6) 0.6823(2) 0.54098(9) 0.0141(4) Uani 1 1 d . . . . .
H6 H 0.490894 0.685888 0.530938 0.017 Uiso 1 1 calc R U . . .
C7 C 0.55725(6) 0.6040(2) 0.63291(8) 0.0117(4) Uani 1 1 d . . . . .
C8 C 0.56480(6) 0.7446(2) 0.64412(9) 0.0158(4) Uani 1 1 d . . . . .
H8 H 0.548169 0.795654 0.664908 0.019 Uiso 1 1 calc R U . . .
C9 C 0.59685(7) 0.8092(2) 0.62461(10) 0.0192(4) Uani 1 1 d . . . . .
H9 H 0.602324 0.904760 0.632194 0.023 Uiso 1 1 calc R U . . .
C10 C 0.62094(6) 0.7341(2) 0.59401(10) 0.0171(4) Uani 1 1 d . . . . .
H10 H 0.642665 0.778891 0.580429 0.021 Uiso 1 1 calc R U . . .
C11 C 0.61360(6) 0.5953(2) 0.58321(9) 0.0170(4) Uani 1 1 d . . . . .
H11 H 0.630255 0.544447 0.562402 0.020 Uiso 1 1 calc R U . . .
C12 C 0.58168(6) 0.5298(2) 0.60289(9) 0.0148(4) Uani 1 1 d . . . . .
H12 H 0.576634 0.433956 0.595720 0.018 Uiso 1 1 calc R U . . .
C13 C 0.50736(6) 0.34950(19) 0.62069(9) 0.0112(4) Uani 1 1 d . . . . .
C14 C 0.54034(6) 0.2575(2) 0.65431(9) 0.0135(4) Uani 1 1 d . . . . .
H14 H 0.565166 0.289830 0.688001 0.016 Uiso 1 1 calc R U . . .
C15 C 0.53670(7) 0.1195(2) 0.63837(10) 0.0184(4) Uani 1 1 d . . . . .
H15 H 0.558735 0.056691 0.661786 0.022 Uiso 1 1 calc R U . . .
C16 C 0.50105(7) 0.0725(2) 0.58836(11) 0.0202(4) Uani 1 1 d . . . . .
H16 H 0.498690 -0.022550 0.577703 0.024 Uiso 1 1 calc R U . . .
C17 C 0.46884(7) 0.1633(2) 0.55383(10) 0.0180(4) Uani 1 1 d . . . . .
H17 H 0.444707 0.130709 0.519134 0.022 Uiso 1 1 calc R U . . .
C18 C 0.47173(6) 0.3020(2) 0.56983(9) 0.0142(4) Uani 1 1 d . . . . .
H18 H 0.449561 0.364323 0.546268 0.017 Uiso 1 1 calc R U . . .
C19 C 0.40856(6) 0.3447(2) 0.66040(9) 0.0120(4) Uani 1 1 d . . . . .
C20 C 0.43491(6) 0.2337(2) 0.69033(9) 0.0132(4) Uani 1 1 d . . . . .
H20 H 0.461864 0.250126 0.723678 0.016 Uiso 1 1 calc R U . . .
C21 C 0.42199(7) 0.0996(2) 0.6717(1) 0.0175(4) Uani 1 1 d . . . . .
H21 H 0.439869 0.024319 0.692418 0.021 Uiso 1 1 calc R U . . .
C22 C 0.38283(7) 0.0764(2) 0.62264(10) 0.0204(4) Uani 1 1 d . . . . .
H22 H 0.373723 -0.015230 0.610016 0.024 Uiso 1 1 calc R U . . .
C23 C 0.35680(7) 0.1861(2) 0.5918(1) 0.0215(4) Uani 1 1 d . . . . .
H23 H 0.330231 0.169294 0.557780 0.026 Uiso 1 1 calc R U . . .
C24 C 0.36943(7) 0.3199(2) 0.61044(10) 0.0177(4) Uani 1 1 d . . . . .
H24 H 0.351529 0.394715 0.589313 0.021 Uiso 1 1 calc R U . . .
C25 C 0.38267(6) 0.5994(2) 0.70746(9) 0.0122(4) Uani 1 1 d . . . . .
C26 C 0.35268(6) 0.5199(2) 0.72605(10) 0.0166(4) Uani 1 1 d . . . . .
H26 H 0.355321 0.422523 0.728266 0.020 Uiso 1 1 calc R U . . .
C27 C 0.31899(7) 0.5854(2) 0.7412(1) 0.0212(4) Uani 1 1 d . . . . .
H27 H 0.298158 0.532358 0.753373 0.025 Uiso 1 1 calc R U . . .
C28 C 0.31544(7) 0.7270(2) 0.73878(10) 0.0214(4) Uani 1 1 d . . . . .
H28 H 0.292057 0.770597 0.748913 0.026 Uiso 1 1 calc R U . . .
C29 C 0.34582(7) 0.8060(2) 0.72162(10) 0.0200(4) Uani 1 1 d . . . . .
H29 H 0.343349 0.903511 0.720474 0.024 Uiso 1 1 calc R U . . .
C30 C 0.37966(6) 0.7432(2) 0.70620(9) 0.0155(4) Uani 1 1 d . . . . .
H30 H 0.400690 0.797048 0.694846 0.019 Uiso 1 1 calc R U . . .
P1A P 0.67568(2) 0.17609(6) 0.67946(3) 0.01868(11) Uani 1 1 d . . . . .
F1A F 0.64658(5) 0.31092(15) 0.65569(7) 0.0367(4) Uani 1 1 d . . . . .
F2A F 0.70450(5) 0.04086(15) 0.70306(7) 0.0339(3) Uani 1 1 d . . . . .
F3A F 0.70660(5) 0.22118(16) 0.63934(8) 0.0384(4) Uani 1 1 d . . . . .
F4A F 0.64427(5) 0.13226(18) 0.71928(7) 0.0402(4) Uani 1 1 d . . . . .
F5A F 0.70654(5) 0.25802(16) 0.73999(7) 0.0358(3) Uani 1 1 d . . . . .
F6A F 0.64488(5) 0.09409(16) 0.61859(7) 0.0366(4) Uani 1 1 d . . . . .
N1S N 0.70311(7) 0.1306(3) 0.46817(12) 0.0396(6) Uani 1 1 d . . . . .
C1S C 0.72516(8) 0.0852(3) 0.51490(13) 0.0358(6) Uani 1 1 d . . . . .
C2S C 0.75374(12) 0.0265(4) 0.57429(16) 0.0633(11) Uani 1 1 d . . . . .
H2SA H 0.768969 -0.054073 0.564966 0.095 Uiso 1 1 calc R U . . .
H2SB H 0.736007 -0.001254 0.600854 0.095 Uiso 1 1 calc R U . . .
H2SC H 0.775512 0.095323 0.597140 0.095 Uiso 1 1 calc R U . . .
N2S N 0.79185(9) 0.1430(4) 0.96650(13) 0.0646(9) Uani 1 1 d . . . . .
C3S C 0.77198(8) 0.0916(3) 0.92037(12) 0.0344(6) Uani 1 1 d . . . . .
C4S C 0.7468(1) 0.0262(3) 0.86161(13) 0.0415(7) Uani 1 1 d . . . . .
H4S1 H 0.734419 0.096528 0.828952 0.062 Uiso 1 1 calc R U . . .
H4S2 H 0.722810 -0.027285 0.868400 0.062 Uiso 1 1 calc R U . . .
H4S3 H 0.765995 -0.035198 0.847407 0.062 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 2.3881(5) . ?
Au1 P2 2.3882(5) 2_656 ?
Au1 P1 2.3966(5) . ?
Au1 P1 2.3967(5) 2_656 ?
Au1 Cl1 2.7087(7) . ?
P1 C7 1.8012(19) . ?
P1 C13 1.8051(19) . ?
P1 C1 1.8054(19) . ?
P2 C25 1.7923(19) . ?
P2 C19 1.801(2) . ?
P2 C2 1.8154(19) . ?
C1 C6 1.396(3) . ?
C1 C2 1.398(3) . ?
C2 C3 1.388(3) . ?
C3 C4 1.393(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.384(3) . ?
C7 C8 1.395(3) . ?
C8 C9 1.388(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.389(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.376(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.396(3) . ?
C13 C14 1.400(3) . ?
C14 C15 1.381(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.384(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.389(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.397(3) . ?
C19 C24 1.397(3) . ?
C20 C21 1.389(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.386(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.396(3) . ?
C25 C30 1.399(3) . ?
C26 C27 1.387(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.379(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.382(3) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
P1A F2A 1.5933(14) . ?
P1A F3A 1.5935(15) . ?
P1A F1A 1.5951(15) . ?
P1A F5A 1.5956(15) . ?
P1A F4A 1.5981(14) . ?
P1A F6A 1.6002(15) . ?
N1S C1S 1.135(4) . ?
C1S C2S 1.453(4) . ?
C2S H2SA 0.9800 . ?
C2S H2SB 0.9800 . ?
C2S H2SC 0.9800 . ?
N2S C3S 1.129(4) . ?
C3S C4S 1.437(4) . ?
C4S H4S1 0.9800 . ?
C4S H4S2 0.9800 . ?
C4S H4S3 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 P2 172.87(2) . 2_656 ?
P2 Au1 P1 80.567(16) . . ?
P2 Au1 P1 99.153(16) 2_656 . ?
P2 Au1 P1 99.154(16) . 2_656 ?
P2 Au1 P1 80.572(16) 2_656 2_656 ?
P1 Au1 P1 175.61(2) . 2_656 ?
P2 Au1 Cl1 93.565(12) . . ?
P2 Au1 Cl1 93.565(12) 2_656 . ?
P1 Au1 Cl1 92.196(12) . . ?
P1 Au1 Cl1 92.196(12) 2_656 . ?
C7 P1 C13 107.59(9) . . ?
C7 P1 C1 105.06(9) . . ?
C13 P1 C1 107.06(9) . . ?
C7 P1 Au1 122.71(6) . . ?
C13 P1 Au1 109.90(6) . . ?
C1 P1 Au1 103.41(6) . . ?
C25 P2 C19 108.15(9) . . ?
C25 P2 C2 105.16(9) . . ?
C19 P2 C2 106.98(9) . . ?
C25 P2 Au1 119.54(6) . . ?
C19 P2 Au1 111.98(6) . . ?
C2 P2 Au1 104.06(6) . . ?
C6 C1 C2 120.03(17) . . ?
C6 C1 P1 121.60(15) . . ?
C2 C1 P1 118.33(14) . . ?
C3 C2 C1 119.89(17) . . ?
C3 C2 P2 122.58(15) . . ?
C1 C2 P2 117.50(14) . . ?
C2 C3 C4 119.83(18) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 120.12(18) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.62(18) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 119.48(18) . . ?
C5 C6 H6 120.3 . . ?
C1 C6 H6 120.3 . . ?
C12 C7 C8 120.18(18) . . ?
C12 C7 P1 120.09(15) . . ?
C8 C7 P1 119.20(14) . . ?
C9 C8 C7 119.34(18) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C10 120.1(2) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 120.56(19) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 119.69(19) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C7 C12 C11 120.16(19) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C18 C13 C14 119.76(18) . . ?
C18 C13 P1 121.78(15) . . ?
C14 C13 P1 118.35(14) . . ?
C15 C14 C13 119.83(18) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C16 120.24(19) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 120.31(19) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 120.12(19) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 119.70(18) . . ?
C17 C18 H18 120.1 . . ?
C13 C18 H18 120.1 . . ?
C20 C19 C24 119.42(18) . . ?
C20 C19 P2 121.40(14) . . ?
C24 C19 P2 119.14(15) . . ?
C21 C20 C19 120.49(18) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 119.47(19) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C23 120.5(2) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 120.24(19) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C19 119.90(19) . . ?
C23 C24 H24 120.1 . . ?
C19 C24 H24 120.1 . . ?
C26 C25 C30 120.56(18) . . ?
C26 C25 P2 120.79(16) . . ?
C30 C25 P2 118.63(14) . . ?
C27 C26 C25 118.9(2) . . ?
C27 C26 H26 120.5 . . ?
C25 C26 H26 120.5 . . ?
C28 C27 C26 120.6(2) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 120.40(19) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 120.1(2) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C25 119.37(19) . . ?
C29 C30 H30 120.3 . . ?
C25 C30 H30 120.3 . . ?
F2A P1A F3A 90.56(9) . . ?
F2A P1A F1A 179.66(10) . . ?
F3A P1A F1A 89.64(9) . . ?
F2A P1A F5A 90.06(8) . . ?
F3A P1A F5A 90.17(9) . . ?
F1A P1A F5A 90.22(9) . . ?
F2A P1A F4A 90.11(9) . . ?
F3A P1A F4A 179.32(9) . . ?
F1A P1A F4A 89.68(9) . . ?
F5A P1A F4A 89.96(9) . . ?
F2A P1A F6A 89.93(8) . . ?
F3A P1A F6A 89.58(9) . . ?
F1A P1A F6A 89.79(9) . . ?
F5A P1A F6A 179.74(10) . . ?
F4A P1A F6A 90.29(9) . . ?
N1S C1S C2S 179.3(3) . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
N2S C3S C4S 179.8(4) . . ?
C3S C4S H4S1 109.5 . . ?
C3S C4S H4S2 109.5 . . ?
H4S1 C4S H4S2 109.5 . . ?
C3S C4S H4S3 109.5 . . ?
H4S1 C4S H4S3 109.5 . . ?
H4S2 C4S H4S3 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
C7 P1 C1 C6 22.90(18) . . . . ?
C13 P1 C1 C6 -91.30(17) . . . . ?
Au1 P1 C1 C6 152.65(15) . . . . ?
C7 P1 C1 C2 -159.26(15) . . . . ?
C13 P1 C1 C2 86.54(16) . . . . ?
Au1 P1 C1 C2 -29.51(16) . . . . ?
C6 C1 C2 C3 1.7(3) . . . . ?
P1 C1 C2 C3 -176.20(15) . . . . ?
C6 C1 C2 P2 -179.98(14) . . . . ?
P1 C1 C2 P2 2.1(2) . . . . ?
C25 P2 C2 C3 -28.74(19) . . . . ?
C19 P2 C2 C3 86.11(18) . . . . ?
Au1 P2 C2 C3 -155.20(15) . . . . ?
C25 P2 C2 C1 152.96(15) . . . . ?
C19 P2 C2 C1 -92.19(16) . . . . ?
Au1 P2 C2 C1 26.49(16) . . . . ?
C1 C2 C3 C4 -1.5(3) . . . . ?
P2 C2 C3 C4 -179.81(15) . . . . ?
C2 C3 C4 C5 0.1(3) . . . . ?
C3 C4 C5 C6 1.3(3) . . . . ?
C4 C5 C6 C1 -1.2(3) . . . . ?
C2 C1 C6 C5 -0.3(3) . . . . ?
P1 C1 C6 C5 177.48(15) . . . . ?
C13 P1 C7 C12 2.34(18) . . . . ?
C1 P1 C7 C12 -111.49(16) . . . . ?
Au1 P1 C7 C12 131.24(14) . . . . ?
C13 P1 C7 C8 174.02(15) . . . . ?
C1 P1 C7 C8 60.19(17) . . . . ?
Au1 P1 C7 C8 -57.08(17) . . . . ?
C12 C7 C8 C9 0.3(3) . . . . ?
P1 C7 C8 C9 -171.36(16) . . . . ?
C7 C8 C9 C10 0.3(3) . . . . ?
C8 C9 C10 C11 -0.5(3) . . . . ?
C9 C10 C11 C12 0.2(3) . . . . ?
C8 C7 C12 C11 -0.6(3) . . . . ?
P1 C7 C12 C11 170.98(15) . . . . ?
C10 C11 C12 C7 0.3(3) . . . . ?
C7 P1 C13 C18 -114.92(16) . . . . ?
C1 P1 C13 C18 -2.44(18) . . . . ?
Au1 P1 C13 C18 109.22(15) . . . . ?
C7 P1 C13 C14 68.83(16) . . . . ?
C1 P1 C13 C14 -178.69(14) . . . . ?
Au1 P1 C13 C14 -67.03(15) . . . . ?
C18 C13 C14 C15 -2.2(3) . . . . ?
P1 C13 C14 C15 174.16(15) . . . . ?
C13 C14 C15 C16 1.4(3) . . . . ?
C14 C15 C16 C17 0.2(3) . . . . ?
C15 C16 C17 C18 -1.0(3) . . . . ?
C16 C17 C18 C13 0.3(3) . . . . ?
C14 C13 C18 C17 1.3(3) . . . . ?
P1 C13 C18 C17 -174.88(15) . . . . ?
C25 P2 C19 C20 -121.81(16) . . . . ?
C2 P2 C19 C20 125.37(16) . . . . ?
Au1 P2 C19 C20 11.97(17) . . . . ?
C25 P2 C19 C24 60.45(18) . . . . ?
C2 P2 C19 C24 -52.37(18) . . . . ?
Au1 P2 C19 C24 -165.77(14) . . . . ?
C24 C19 C20 C21 -1.4(3) . . . . ?
P2 C19 C20 C21 -179.13(15) . . . . ?
C19 C20 C21 C22 0.6(3) . . . . ?
C20 C21 C22 C23 0.6(3) . . . . ?
C21 C22 C23 C24 -1.0(3) . . . . ?
C22 C23 C24 C19 0.1(3) . . . . ?
C20 C19 C24 C23 1.0(3) . . . . ?
P2 C19 C24 C23 178.83(16) . . . . ?
C19 P2 C25 C26 20.08(18) . . . . ?
C2 P2 C25 C26 134.12(16) . . . . ?
Au1 P2 C25 C26 -109.60(15) . . . . ?
C19 P2 C25 C30 -158.39(15) . . . . ?
C2 P2 C25 C30 -44.35(17) . . . . ?
Au1 P2 C25 C30 71.93(16) . . . . ?
C30 C25 C26 C27 2.1(3) . . . . ?
P2 C25 C26 C27 -176.33(15) . . . . ?
C25 C26 C27 C28 -0.8(3) . . . . ?
C26 C27 C28 C29 -0.6(3) . . . . ?
C27 C28 C29 C30 0.6(3) . . . . ?
C28 C29 C30 C25 0.6(3) . . . . ?
C26 C25 C30 C29 -2.0(3) . . . . ?
P2 C25 C30 C29 176.45(15) . . . . ?

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
_geom_hbond_publ_flag
C8 H8 Cl1^a 0.95 2.81 3.667(2) 151.4 . yes
C8 H8 Cl1'^b 0.95 2.96 3.892(6) 166.1 . yes
C2S H2SA N2S 0.98 2.66 3.437(4) 136.2 6 yes
C4S H4S1 F5A 0.98 2.45 3.425(3) 174.0 . yes
C4S H4S2 N1S 0.98 2.68 3.466(4) 137.1 6_556 yes
C4S H4S3 F3A 0.98 2.51 3.322(4) 140.3 4_646 yes

_refine_diff_density_max         0.765
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.075



####################################################################### 
# 
# 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_m20130
_database_code_depnum_ccdc_archive 'CCDC 2345566'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2024-04-03 deposited with the CCDC.	2024-12-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3

_shelx_SHELXL_version_number     2018/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C60 H48 Au Cl P4, 2(Au Cl4), C4 H10 O, C H2 Cl2'
_chemical_formula_sum            'C65 H60 Au3 Cl11 O P4'
_chemical_formula_weight         1961.86

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_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                   14.8238(5)
_cell_length_b                   14.9728(5)
_cell_length_c                   17.2596(5)
_cell_angle_alpha                74.169(1)
_cell_angle_beta                 84.618(1)
_cell_angle_gamma                65.137(1)
_cell_volume                     3342.98(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9888
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      27.47

_exptl_crystal_description       'twinned shard'
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_F_000             1884
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    7.144
_shelx_estimated_absorpt_T_min   0.481
_shelx_estimated_absorpt_T_max   0.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.602
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2008b)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            69197
_diffrn_reflns_av_unetI/netI     1.0417
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.926
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measured_fraction_theta_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_point_group_measured_fraction_full 0.968

_reflns_number_total             69197
_reflns_number_gt                53899
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
; 
_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.  Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refined as a 2-component twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0392P)²+1.0675P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00045(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         69197
_refine_ls_number_parameters     807
_refine_ls_number_restraints     211
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0448
_refine_ls_wR_factor_ref         0.1132
_refine_ls_wR_factor_gt          0.1033
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.67290(2) 0.20213(2) 0.71077(2) 0.01024(8) Uani 1 1 d . . . . .
Cl1 Cl 0.60120(15) 0.40779(15) 0.67401(12) 0.0189(4) Uani 1 1 d . . . . .
P1 P 0.76036(15) 0.17256(16) 0.82994(12) 0.0129(4) Uani 1 1 d . . . . .
P2 P 0.54802(15) 0.18952(16) 0.80755(12) 0.0129(4) Uani 1 1 d . . . . .
P3 P 0.59202(15) 0.21733(16) 0.59210(12) 0.0122(4) Uani 1 1 d . . . . .
P4 P 0.80996(15) 0.18202(15) 0.62052(12) 0.0117(4) Uani 1 1 d . . . . .
C1 C 0.6649(6) 0.2232(6) 0.8995(5) 0.0160(17) Uani 1 1 d . . . . .
C2 C 0.6879(7) 0.2430(6) 0.9691(5) 0.0199(19) Uani 1 1 d . . . . .
H2 H 0.754257 0.230321 0.980742 0.024 Uiso 1 1 calc R U . . .
C3 C 0.6119(7) 0.2813(7) 1.0198(5) 0.023(2) Uani 1 1 d . . . . .
H3 H 0.626637 0.293421 1.067271 0.028 Uiso 1 1 calc R U . . .
C4 C 0.5155(7) 0.3020(7) 1.0028(5) 0.024(2) Uani 1 1 d . . . . .
H4 H 0.464141 0.331344 1.037208 0.029 Uiso 1 1 calc R U . . .
C5 C 0.4917(7) 0.2805(7) 0.9356(5) 0.022(2) Uani 1 1 d . . . . .
H5 H 0.424958 0.293683 0.924798 0.026 Uiso 1 1 calc R U . . .
C6 C 0.5675(6) 0.2394(6) 0.8844(5) 0.0180(18) Uani 1 1 d . . . . .
C7 C 0.8399(6) 0.2368(6) 0.8246(4) 0.0156(18) Uani 1 1 d . . . . .
C8 C 0.7973(7) 0.3391(7) 0.8254(5) 0.0218(19) Uani 1 1 d . . . . .
H8 H 0.727053 0.374888 0.825511 0.026 Uiso 1 1 calc R U . . .
C9 C 0.8582(7) 0.3885(7) 0.8261(5) 0.025(2) Uani 1 1 d . . . . .
H9 H 0.829734 0.457775 0.827845 0.030 Uiso 1 1 calc R U . . .
C10 C 0.9604(7) 0.3367(7) 0.8242(5) 0.027(2) Uani 1 1 d . . . . .
H10 H 1.001804 0.370641 0.825064 0.033 Uiso 1 1 calc R U . . .
C11 C 1.0025(7) 0.2368(7) 0.8211(5) 0.024(2) Uani 1 1 d . . . . .
H11 H 1.072703 0.202402 0.818689 0.028 Uiso 1 1 calc R U . . .
C12 C 0.9428(6) 0.1854(7) 0.8216(4) 0.0177(18) Uani 1 1 d . . . . .
H12 H 0.971888 0.116091 0.819845 0.021 Uiso 1 1 calc R U . . .
C13 C 0.8303(6) 0.0380(6) 0.8733(5) 0.0172(18) Uani 1 1 d . . . . .
C14 C 0.8862(6) 0.0061(7) 0.9449(5) 0.023(2) Uani 1 1 d . . . . .
H14 H 0.888590 0.054492 0.969705 0.028 Uiso 1 1 calc R U . . .
C15 C 0.9380(7) -0.0980(7) 0.9785(5) 0.030(2) Uani 1 1 d . . . . .
H15 H 0.976505 -0.120455 1.026556 0.035 Uiso 1 1 calc R U . . .
C16 C 0.9345(7) -0.1688(7) 0.9438(5) 0.027(2) Uani 1 1 d . . . . .
H16 H 0.970728 -0.239488 0.967458 0.032 Uiso 1 1 calc R U . . .
C17 C 0.8783(6) -0.1368(6) 0.8744(5) 0.0211(19) Uani 1 1 d . . . . .
H17 H 0.875345 -0.185569 0.850319 0.025 Uiso 1 1 calc R U . . .
C18 C 0.8262(6) -0.0339(6) 0.8396(5) 0.0181(18) Uani 1 1 d . . . . .
H18 H 0.787121 -0.012483 0.791943 0.022 Uiso 1 1 calc R U . . .
C19 C 0.5724(6) 0.0582(6) 0.8563(5) 0.0144(17) Uani 1 1 d . . . . .
C20 C 0.6150(6) 0.0112(7) 0.9338(5) 0.0205(19) Uani 1 1 d . . . . .
H20 H 0.626363 0.049988 0.964046 0.025 Uiso 1 1 calc R U . . .
C21 C 0.6405(7) -0.0913(7) 0.9661(5) 0.025(2) Uani 1 1 d . . . . .
H21 H 0.669439 -0.123252 1.018792 0.030 Uiso 1 1 calc R U . . .
C22 C 0.6242(6) -0.1477(7) 0.9225(5) 0.024(2) Uani 1 1 d . . . . .
H22 H 0.644721 -0.218988 0.944457 0.029 Uiso 1 1 calc R U . . .
C23 C 0.5780(6) -0.1018(7) 0.8468(5) 0.023(2) Uani 1 1 d . . . . .
H23 H 0.563537 -0.140199 0.817980 0.028 Uiso 1 1 calc R U . . .
C24 C 0.5535(6) 0.0006(6) 0.8143(5) 0.0153(17) Uani 1 1 d . . . . .
H24 H 0.523106 0.032459 0.762167 0.018 Uiso 1 1 calc R U . . .
C25 C 0.4188(6) 0.2569(6) 0.7800(5) 0.0148(17) Uani 1 1 d . . . . .
C26 C 0.3539(6) 0.2085(6) 0.8014(5) 0.0190(18) Uani 1 1 d . . . . .
H26 H 0.379499 0.137319 0.826001 0.023 Uiso 1 1 calc R U . . .
C27 C 0.2523(6) 0.2639(7) 0.7867(6) 0.026(2) Uani 1 1 d . . . . .
H27 H 0.208229 0.231062 0.800846 0.032 Uiso 1 1 calc R U . . .
C28 C 0.2158(6) 0.3679(7) 0.7510(5) 0.024(2) Uani 1 1 d . . . . .
H28 H 0.146325 0.406456 0.741180 0.029 Uiso 1 1 calc R U . . .
C29 C 0.2797(6) 0.4157(7) 0.7298(5) 0.024(2) Uani 1 1 d . . . . .
H29 H 0.253583 0.486880 0.705192 0.029 Uiso 1 1 calc R U . . .
C30 C 0.3806(6) 0.3619(7) 0.7436(5) 0.0211(19) Uani 1 1 d . . . . .
H30 H 0.423933 0.395543 0.728693 0.025 Uiso 1 1 calc R U . . .
C31 C 0.6535(6) 0.2713(6) 0.5087(4) 0.0123(16) Uani 1 1 d . . . . .
C32 C 0.6115(6) 0.3187(6) 0.4318(5) 0.0180(19) Uani 1 1 d . . . . .
H32 H 0.543736 0.334007 0.422663 0.022 Uiso 1 1 calc R U . . .
C33 C 0.6682(7) 0.3438(6) 0.3683(5) 0.022(2) Uani 1 1 d . . . . .
H33 H 0.639121 0.376032 0.315712 0.026 Uiso 1 1 calc R U . . .
C34 C 0.7665(6) 0.3223(6) 0.3807(5) 0.0167(18) Uani 1 1 d . . . . .
H34 H 0.805236 0.338149 0.336440 0.020 Uiso 1 1 calc R U . . .
C35 C 0.8094(6) 0.2774(6) 0.4581(5) 0.0176(18) Uani 1 1 d . . . . .
H35 H 0.876610 0.264309 0.467045 0.021 Uiso 1 1 calc R U . . .
C36 C 0.7526(6) 0.2520(6) 0.5218(4) 0.0133(17) Uani 1 1 d . . . . .
C37 C 0.6157(6) 0.0937(6) 0.5799(5) 0.0150(17) Uani 1 1 d . . . . .
C38 C 0.6562(6) 0.0073(6) 0.6418(5) 0.0168(18) Uani 1 1 d . . . . .
H38 H 0.671757 0.012748 0.691938 0.020 Uiso 1 1 calc R U . . .
C39 C 0.6746(6) -0.0877(7) 0.6321(5) 0.024(2) Uani 1 1 d . . . . .
H39 H 0.701762 -0.146776 0.675565 0.029 Uiso 1 1 calc R U . . .
C40 C 0.6532(8) -0.0957(8) 0.5585(6) 0.034(2) Uani 1 1 d . . . . .
H40 H 0.664897 -0.160466 0.551461 0.040 Uiso 1 1 calc R U . . .
C41 C 0.6144(7) -0.0086(8) 0.4946(6) 0.034(2) Uani 1 1 d . . . . .
H41 H 0.602187 -0.014540 0.443613 0.040 Uiso 1 1 calc R U . . .
C42 C 0.5938(7) 0.0863(7) 0.5055(5) 0.024(2) Uani 1 1 d . . . . .
H42 H 0.564934 0.145897 0.462704 0.029 Uiso 1 1 calc R U . . .
C43 C 0.4618(6) 0.2940(6) 0.5745(4) 0.0151(17) Uani 1 1 d . . . . .
C44 C 0.3957(6) 0.2471(6) 0.5857(5) 0.0190(19) Uani 1 1 d . . . . .
H44 H 0.419277 0.175253 0.606050 0.023 Uiso 1 1 calc R U . . .
C45 C 0.2961(6) 0.3059(7) 0.5670(5) 0.022(2) Uani 1 1 d . . . . .
H45 H 0.250975 0.274344 0.575305 0.027 Uiso 1 1 calc R U . . .
C46 C 0.2608(6) 0.4114(7) 0.5359(5) 0.022(2) Uani 1 1 d . . . . .
H46 H 0.192442 0.450852 0.521446 0.026 Uiso 1 1 calc R U . . .
C47 C 0.3252(6) 0.4580(7) 0.5262(5) 0.022(2) Uani 1 1 d . . . . .
H47 H 0.300854 0.529908 0.506106 0.027 Uiso 1 1 calc R U . . .
C48 C 0.4260(6) 0.4000(6) 0.5458(5) 0.0180(18) Uani 1 1 d . . . . .
H48 H 0.470292 0.432369 0.539711 0.022 Uiso 1 1 calc R U . . .
C49 C 0.8990(6) 0.2318(6) 0.6289(4) 0.0117(16) Uani 1 1 d . . . . .
C50 C 0.8637(6) 0.3344(6) 0.6289(4) 0.0142(17) Uani 1 1 d . . . . .
H50 H 0.794555 0.373722 0.632530 0.017 Uiso 1 1 calc R U . . .
C51 C 0.9311(6) 0.3782(7) 0.6237(5) 0.0206(19) Uani 1 1 d . . . . .
H51 H 0.907802 0.447959 0.623226 0.025 Uiso 1 1 calc R U . . .
C52 C 1.0322(6) 0.3202(7) 0.6190(5) 0.020(2) Uani 1 1 d . . . . .
H52 H 1.077883 0.350546 0.615062 0.024 Uiso 1 1 calc R U . . .
C53 C 1.0667(6) 0.2188(6) 0.6202(5) 0.0182(18) Uani 1 1 d . . . . .
H53 H 1.136164 0.179812 0.617692 0.022 Uiso 1 1 calc R U . . .
C54 C 1.0018(6) 0.1726(6) 0.6249(5) 0.0172(18) Uani 1 1 d . . . . .
H54 H 1.026028 0.102720 0.625454 0.021 Uiso 1 1 calc R U . . .
C55 C 0.8762(6) 0.0515(6) 0.6159(4) 0.0139(17) Uani 1 1 d . . . . .
C56 C 0.9411(6) -0.0198(6) 0.6787(5) 0.0186(19) Uani 1 1 d . . . . .
H56 H 0.955159 0.001867 0.721177 0.022 Uiso 1 1 calc R U . . .
C57 C 0.9854(6) -0.1223(6) 0.6796(5) 0.021(2) Uani 1 1 d . . . . .
H57 H 1.030116 -0.170942 0.722142 0.026 Uiso 1 1 calc R U . . .
C58 C 0.9631(6) -0.1520(7) 0.6175(5) 0.024(2) Uani 1 1 d . . . . .
H58 H 0.990968 -0.222294 0.618722 0.028 Uiso 1 1 calc R U . . .
C59 C 0.9019(6) -0.0826(7) 0.5543(5) 0.023(2) Uani 1 1 d . . . . .
H59 H 0.889357 -0.104773 0.511539 0.027 Uiso 1 1 calc R U . . .
C60 C 0.8581(6) 0.0198(6) 0.5524(5) 0.0179(18) Uani 1 1 d . . . . .
H60 H 0.816073 0.068080 0.508204 0.021 Uiso 1 1 calc R U . . .
Au2 Au 1.23983(2) -0.03905(2) 0.77717(2) 0.01717(9) Uani 1 1 d . . . . .
Cl2 Cl 1.21639(17) -0.08455(18) 0.66753(13) 0.0282(5) Uani 1 1 d . . . . .
Cl3 Cl 1.26323(18) 0.00716(18) 0.88657(13) 0.0287(5) Uani 1 1 d . . . . .
Cl4 Cl 1.34588(19) 0.0257(2) 0.70726(14) 0.0376(6) Uani 1 1 d . . . . .
Cl5 Cl 1.13026(18) -0.09908(19) 0.84758(14) 0.0322(6) Uani 1 1 d . . . . .
Au3 Au 0.09806(3) 0.37388(2) 0.28905(2) 0.02167(10) Uani 1 1 d . . . . .
Cl6 Cl 0.22493(19) 0.36400(19) 0.36093(16) 0.0389(6) Uani 1 1 d . . . . .
Cl7 Cl -0.02804(19) 0.38679(19) 0.21517(15) 0.0374(6) Uani 1 1 d . . . . .
Cl8 Cl -0.00891(19) 0.41638(18) 0.39025(15) 0.0326(6) Uani 1 1 d . . . . .
Cl9 Cl 0.2061(2) 0.32832(19) 0.18941(15) 0.0347(6) Uani 1 1 d . . . . .
C1D C 0.5804(8) 0.6050(8) 0.7672(7) 0.046(3) Uani 1 1 d . . . . .
H1DA H 0.644960 0.605011 0.777482 0.055 Uiso 1 1 calc R U . . .
H1DB H 0.589355 0.570928 0.723513 0.055 Uiso 1 1 calc R U . . .
Cl1D Cl 0.4912(2) 0.7314(2) 0.7362(2) 0.0581(9) Uani 1 1 d . . . . .
Cl2D Cl 0.5444(2) 0.5357(2) 0.85573(19) 0.0619(9) Uani 1 1 d . . . . .
O1E O 0.2609(6) 0.4587(7) 0.9721(6) 0.057(3) Uani 0.900(8) 1 d D U P A 1
C1E C 0.2846(11) 0.5396(11) 0.9513(9) 0.063(4) Uani 0.900(8) 1 d D U P A 1
H1EA H 0.356943 0.514273 0.961372 0.076 Uiso 0.900(8) 1 calc R U P A 1
H1EB H 0.250085 0.583565 0.988043 0.076 Uiso 0.900(8) 1 calc R U P A 1
C2E C 0.2591(12) 0.6106(14) 0.8592(8) 0.071(4) Uani 0.900(8) 1 d D U P A 1
H2EA H 0.320741 0.597564 0.829013 0.106 Uiso 0.900(8) 1 calc R U P A 1
H2EB H 0.227569 0.682524 0.859768 0.106 Uiso 0.900(8) 1 calc R U P A 1
H2EC H 0.213796 0.594327 0.833527 0.106 Uiso 0.900(8) 1 calc R U P A 1
C3E C 0.1584(10) 0.4784(11) 0.9787(9) 0.058(4) Uani 0.900(8) 1 d D U P A 1
H3EA H 0.119563 0.539565 0.936112 0.070 Uiso 0.900(8) 1 calc R U P A 1
H3EB H 0.134585 0.491939 1.031641 0.070 Uiso 0.900(8) 1 calc R U P A 1
C4E C 0.1416(9) 0.3830(8) 0.9700(7) 0.040(3) Uani 0.900(8) 1 d D U P A 1
H4EA H 0.070181 0.400114 0.968791 0.061 Uiso 0.900(8) 1 calc R U P A 1
H4EB H 0.173511 0.324564 1.015870 0.061 Uiso 0.900(8) 1 calc R U P A 1
H4EC H 0.170883 0.365654 0.919873 0.061 Uiso 0.900(8) 1 calc R U P A 1
O1E' O 0.188(5) 0.605(6) 0.971(4) 0.063(7) Uani 0.100(8) 1 d D U P A 2
C1E' C 0.213(7) 0.639(6) 0.894(5) 0.063(9) Uani 0.100(8) 1 d D U P A 2
H1EC H 0.227675 0.698241 0.891058 0.075 Uiso 0.100(8) 1 calc R U P A 2
H1ED H 0.154737 0.662460 0.858014 0.075 Uiso 0.100(8) 1 calc R U P A 2
C2E' C 0.308(8) 0.555(9) 0.860(7) 0.053(14) Uani 0.100(8) 1 d D U P A 2
H2ED H 0.320614 0.585648 0.804832 0.079 Uiso 0.100(8) 1 calc R U P A 2
H2EE H 0.366856 0.532136 0.894363 0.079 Uiso 0.100(8) 1 calc R U P A 2
H2EF H 0.293772 0.496283 0.861252 0.079 Uiso 0.100(8) 1 calc R U P A 2
C3E' C 0.156(6) 0.525(5) 0.987(7) 0.058(8) Uani 0.100(8) 1 d D U P A 2
H3EC H 0.198292 0.468463 1.030269 0.070 Uiso 0.100(8) 1 calc R U P A 2
H3ED H 0.165454 0.500088 0.937781 0.070 Uiso 0.100(8) 1 calc R U P A 2
C4E' C 0.042(5) 0.556(7) 1.012(5) 0.033(13) Uani 0.100(8) 1 d D U P A 2
H4ED H 0.026735 0.496349 1.021399 0.049 Uiso 0.100(8) 1 calc R U P A 2
H4EE H 0.031972 0.578991 1.061129 0.049 Uiso 0.100(8) 1 calc R U P A 2
H4EF H -0.000944 0.610692 0.968421 0.049 Uiso 0.100(8) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.372(2) . ?
Au1 P3 2.379(2) . ?
Au1 P4 2.407(2) . ?
Au1 P2 2.407(2) . ?
Au1 Cl1 2.7061(19) . ?
P1 C7 1.792(8) . ?
P1 C13 1.805(8) . ?
P1 C1 1.815(8) . ?
P2 C6 1.788(8) . ?
P2 C25 1.788(8) . ?
P2 C19 1.806(8) . ?
P3 C43 1.787(8) . ?
P3 C37 1.802(8) . ?
P3 C31 1.815(8) . ?
P4 C49 1.800(8) . ?
P4 C55 1.801(8) . ?
P4 C36 1.809(8) . ?
C1 C6 1.398(11) . ?
C1 C2 1.415(11) . ?
C2 C3 1.381(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.371(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.395(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(11) . ?
C5 H5 0.9500 . ?
C7 C12 1.393(11) . ?
C7 C8 1.393(11) . ?
C8 C9 1.389(12) . ?
C8 H8 0.9500 . ?
C9 C10 1.383(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.373(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(11) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.381(11) . ?
C13 C14 1.406(11) . ?
C14 C15 1.393(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.373(13) . ?
C15 H15 0.9500 . ?
C16 C17 1.378(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.383(11) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.388(11) . ?
C19 C20 1.398(11) . ?
C20 C21 1.377(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.375(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(11) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.400(11) . ?
C25 C30 1.403(11) . ?
C26 C27 1.388(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(12) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.375(11) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.388(10) . ?
C31 C36 1.400(11) . ?
C32 C33 1.384(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.378(11) . ?
C33 H33 0.9500 . ?
C34 C35 1.396(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.39(1) . ?
C35 H35 0.9500 . ?
C37 C38 1.374(11) . ?
C37 C42 1.398(11) . ?
C38 C39 1.384(11) . ?
C38 H38 0.9500 . ?
C39 C40 1.387(12) . ?
C39 H39 0.9500 . ?
C40 C41 1.396(13) . ?
C40 H40 0.9500 . ?
C41 C42 1.385(12) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C48 1.399(11) . ?
C43 C44 1.400(11) . ?
C44 C45 1.378(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.397(12) . ?
C45 H45 0.9500 . ?
C46 C47 1.375(12) . ?
C46 H46 0.9500 . ?
C47 C48 1.396(11) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.40(1) . ?
C49 C54 1.411(10) . ?
C50 C51 1.391(11) . ?
C50 H50 0.9500 . ?
C51 C52 1.389(11) . ?
C51 H51 0.9500 . ?
C52 C53 1.378(12) . ?
C52 H52 0.9500 . ?
C53 C54 1.387(11) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.393(11) . ?
C55 C60 1.395(11) . ?
C56 C57 1.388(11) . ?
C56 H56 0.9500 . ?
C57 C58 1.381(12) . ?
C57 H57 0.9500 . ?
C58 C59 1.366(12) . ?
C58 H58 0.9500 . ?
C59 C60 1.382(11) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
Au2 Cl4 2.270(2) . ?
Au2 Cl5 2.277(2) . ?
Au2 Cl2 2.278(2) . ?
Au2 Cl3 2.281(2) . ?
Au3 Cl7 2.273(2) . ?
Au3 Cl9 2.279(2) . ?
Au3 Cl6 2.281(2) . ?
Au3 Cl8 2.282(2) . ?
C1D Cl1D 1.759(11) . ?
C1D Cl2D 1.773(12) . ?
C1D H1DA 0.9900 . ?
C1D H1DB 0.9900 . ?
O1E C1E 1.348(15) . ?
O1E C3E 1.421(15) . ?
C1E C2E 1.629(19) . ?
C1E H1EA 0.9900 . ?
C1E H1EB 0.9900 . ?
C2E H2EA 0.9800 . ?
C2E H2EB 0.9800 . ?
C2E H2EC 0.9800 . ?
C3E C4E 1.596(17) . ?
C3E H3EA 0.9900 . ?
C3E H3EB 0.9900 . ?
C4E H4EA 0.9800 . ?
C4E H4EB 0.9800 . ?
C4E H4EC 0.9800 . ?
O1E' C1E' 1.36(3) . ?
O1E' C3E' 1.41(3) . ?
C1E' C2E' 1.63(3) . ?
C1E' H1EC 0.9900 . ?
C1E' H1ED 0.9900 . ?
C2E' H2ED 0.9800 . ?
C2E' H2EE 0.9800 . ?
C2E' H2EF 0.9800 . ?
C3E' C4E' 1.59(3) . ?
C3E' H3EC 0.9900 . ?
C3E' H3ED 0.9900 . ?
C4E' H4ED 0.9800 . ?
C4E' H4EE 0.9800 . ?
C4E' H4EF 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 P3 175.34(7) . . ?
P1 Au1 P4 97.62(7) . . ?
P3 Au1 P4 81.08(7) . . ?
P1 Au1 P2 80.94(7) . . ?
P3 Au1 P2 99.55(7) . . ?
P4 Au1 P2 169.76(7) . . ?
P1 Au1 Cl1 95.79(7) . . ?
P3 Au1 Cl1 88.79(7) . . ?
P4 Au1 Cl1 94.89(6) . . ?
P2 Au1 Cl1 95.34(7) . . ?
C7 P1 C13 108.8(4) . . ?
C7 P1 C1 104.3(4) . . ?
C13 P1 C1 108.8(4) . . ?
C7 P1 Au1 117.8(3) . . ?
C13 P1 Au1 111.3(3) . . ?
C1 P1 Au1 105.2(3) . . ?
C6 P2 C25 106.2(4) . . ?
C6 P2 C19 105.2(4) . . ?
C25 P2 C19 108.4(4) . . ?
C6 P2 Au1 103.8(3) . . ?
C25 P2 Au1 120.7(3) . . ?
C19 P2 Au1 111.3(3) . . ?
C43 P3 C37 107.2(4) . . ?
C43 P3 C31 106.0(4) . . ?
C37 P3 C31 105.0(4) . . ?
C43 P3 Au1 120.8(3) . . ?
C37 P3 Au1 111.0(3) . . ?
C31 P3 Au1 105.6(3) . . ?
C49 P4 C55 108.7(4) . . ?
C49 P4 C36 104.2(4) . . ?
C55 P4 C36 105.7(4) . . ?
C49 P4 Au1 120.7(3) . . ?
C55 P4 Au1 111.5(3) . . ?
C36 P4 Au1 104.7(3) . . ?
C6 C1 C2 120.0(7) . . ?
C6 C1 P1 118.4(6) . . ?
C2 C1 P1 121.5(6) . . ?
C3 C2 C1 118.6(8) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C4 C3 C2 121.3(8) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C3 C4 C5 120.9(8) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C6 119.0(8) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C5 C6 C1 120.0(8) . . ?
C5 C6 P2 121.8(6) . . ?
C1 C6 P2 117.6(6) . . ?
C12 C7 C8 120.2(8) . . ?
C12 C7 P1 121.0(6) . . ?
C8 C7 P1 118.8(6) . . ?
C9 C8 C7 119.6(8) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C10 C9 C8 120.0(9) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 120.6(8) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.3(8) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C7 C12 C11 119.3(8) . . ?
C7 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C18 C13 C14 119.6(8) . . ?
C18 C13 P1 121.2(6) . . ?
C14 C13 P1 119.2(7) . . ?
C15 C14 C13 118.4(8) . . ?
C15 C14 H14 120.8 . . ?
C13 C14 H14 120.8 . . ?
C16 C15 C14 121.5(8) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 119.6(8) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C16 C17 C18 120.2(8) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C13 C18 C17 120.7(8) . . ?
C13 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C24 C19 C20 118.9(8) . . ?
C24 C19 P2 119.4(6) . . ?
C20 C19 P2 121.6(6) . . ?
C21 C20 C19 119.9(8) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C20 120.3(8) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 120.9(8) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 118.6(8) . . ?
C24 C23 H23 120.7 . . ?
C22 C23 H23 120.7 . . ?
C23 C24 C19 121.4(8) . . ?
C23 C24 H24 119.3 . . ?
C19 C24 H24 119.3 . . ?
C26 C25 C30 119.6(8) . . ?
C26 C25 P2 120.9(6) . . ?
C30 C25 P2 119.2(6) . . ?
C27 C26 C25 120.3(8) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C28 C27 C26 119.2(8) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C29 C28 C27 120.5(8) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C30 C29 C28 121.0(8) . . ?
C30 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C29 C30 C25 119.3(8) . . ?
C29 C30 H30 120.4 . . ?
C25 C30 H30 120.4 . . ?
C32 C31 C36 119.4(7) . . ?
C32 C31 P3 123.1(6) . . ?
C36 C31 P3 117.0(5) . . ?
C33 C32 C31 120.0(8) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C34 C33 C32 120.6(7) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C33 C34 C35 120.2(7) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 119.1(8) . . ?
C36 C35 H35 120.4 . . ?
C34 C35 H35 120.4 . . ?
C35 C36 C31 120.5(7) . . ?
C35 C36 P4 119.9(6) . . ?
C31 C36 P4 119.3(6) . . ?
C38 C37 C42 119.9(8) . . ?
C38 C37 P3 121.2(6) . . ?
C42 C37 P3 118.9(6) . . ?
C37 C38 C39 121.0(8) . . ?
C37 C38 H38 119.5 . . ?
C39 C38 H38 119.5 . . ?
C38 C39 C40 119.4(8) . . ?
C38 C39 H39 120.3 . . ?
C40 C39 H39 120.3 . . ?
C39 C40 C41 119.9(9) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 120.2(8) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C41 C42 C37 119.4(8) . . ?
C41 C42 H42 120.3 . . ?
C37 C42 H42 120.3 . . ?
C48 C43 C44 119.9(7) . . ?
C48 C43 P3 120.5(6) . . ?
C44 C43 P3 119.6(6) . . ?
C45 C44 C43 119.4(8) . . ?
C45 C44 H44 120.3 . . ?
C43 C44 H44 120.3 . . ?
C44 C45 C46 120.8(8) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 H45 119.6 . . ?
C47 C46 C45 120.0(8) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C46 C47 C48 120.2(8) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C47 C48 C43 119.7(8) . . ?
C47 C48 H48 120.1 . . ?
C43 C48 H48 120.1 . . ?
C50 C49 C54 120.6(7) . . ?
C50 C49 P4 118.4(6) . . ?
C54 C49 P4 120.5(6) . . ?
C51 C50 C49 119.3(8) . . ?
C51 C50 H50 120.4 . . ?
C49 C50 H50 120.4 . . ?
C52 C51 C50 120.1(8) . . ?
C52 C51 H51 119.9 . . ?
C50 C51 H51 119.9 . . ?
C53 C52 C51 120.4(8) . . ?
C53 C52 H52 119.8 . . ?
C51 C52 H52 119.8 . . ?
C52 C53 C54 121.2(8) . . ?
C52 C53 H53 119.4 . . ?
C54 C53 H53 119.4 . . ?
C53 C54 C49 118.4(7) . . ?
C53 C54 H54 120.8 . . ?
C49 C54 H54 120.8 . . ?
C56 C55 C60 119.5(8) . . ?
C56 C55 P4 119.9(6) . . ?
C60 C55 P4 120.4(6) . . ?
C57 C56 C55 120.6(8) . . ?
C57 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C58 C57 C56 118.6(8) . . ?
C58 C57 H57 120.7 . . ?
C56 C57 H57 120.7 . . ?
C59 C58 C57 121.4(8) . . ?
C59 C58 H58 119.3 . . ?
C57 C58 H58 119.3 . . ?
C58 C59 C60 120.4(8) . . ?
C58 C59 H59 119.8 . . ?
C60 C59 H59 119.8 . . ?
C59 C60 C55 119.4(8) . . ?
C59 C60 H60 120.3 . . ?
C55 C60 H60 120.3 . . ?
Cl4 Au2 Cl5 178.25(10) . . ?
Cl4 Au2 Cl2 90.34(8) . . ?
Cl5 Au2 Cl2 90.44(9) . . ?
Cl4 Au2 Cl3 89.48(8) . . ?
Cl5 Au2 Cl3 89.73(8) . . ?
Cl2 Au2 Cl3 179.75(8) . . ?
Cl7 Au3 Cl9 90.12(10) . . ?
Cl7 Au3 Cl6 178.66(10) . . ?
Cl9 Au3 Cl6 89.31(10) . . ?
Cl7 Au3 Cl8 90.16(10) . . ?
Cl9 Au3 Cl8 178.92(9) . . ?
Cl6 Au3 Cl8 90.43(10) . . ?
Cl1D C1D Cl2D 111.6(6) . . ?
Cl1D C1D H1DA 109.3 . . ?
Cl2D C1D H1DA 109.3 . . ?
Cl1D C1D H1DB 109.3 . . ?
Cl2D C1D H1DB 109.3 . . ?
H1DA C1D H1DB 108.0 . . ?
C1E O1E C3E 117.5(11) . . ?
O1E C1E C2E 117.7(12) . . ?
O1E C1E H1EA 107.9 . . ?
C2E C1E H1EA 107.9 . . ?
O1E C1E H1EB 107.9 . . ?
C2E C1E H1EB 107.9 . . ?
H1EA C1E H1EB 107.2 . . ?
C1E C2E H2EA 109.5 . . ?
C1E C2E H2EB 109.5 . . ?
H2EA C2E H2EB 109.5 . . ?
C1E C2E H2EC 109.5 . . ?
H2EA C2E H2EC 109.5 . . ?
H2EB C2E H2EC 109.5 . . ?
O1E C3E C4E 110.2(11) . . ?
O1E C3E H3EA 109.6 . . ?
C4E C3E H3EA 109.6 . . ?
O1E C3E H3EB 109.6 . . ?
C4E C3E H3EB 109.6 . . ?
H3EA C3E H3EB 108.1 . . ?
C3E C4E H4EA 109.5 . . ?
C3E C4E H4EB 109.5 . . ?
H4EA C4E H4EB 109.5 . . ?
C3E C4E H4EC 109.5 . . ?
H4EA C4E H4EC 109.5 . . ?
H4EB C4E H4EC 109.5 . . ?
C1E' O1E' C3E' 118(4) . . ?
O1E' C1E' C2E' 115(4) . . ?
O1E' C1E' H1EC 108.5 . . ?
C2E' C1E' H1EC 108.5 . . ?
O1E' C1E' H1ED 108.5 . . ?
C2E' C1E' H1ED 108.5 . . ?
H1EC C1E' H1ED 107.5 . . ?
C1E' C2E' H2ED 109.5 . . ?
C1E' C2E' H2EE 109.5 . . ?
H2ED C2E' H2EE 109.5 . . ?
C1E' C2E' H2EF 109.5 . . ?
H2ED C2E' H2EF 109.5 . . ?
H2EE C2E' H2EF 109.5 . . ?
O1E' C3E' C4E' 115(4) . . ?
O1E' C3E' H3EC 108.4 . . ?
C4E' C3E' H3EC 108.4 . . ?
O1E' C3E' H3ED 108.4 . . ?
C4E' C3E' H3ED 108.4 . . ?
H3EC C3E' H3ED 107.5 . . ?
C3E' C4E' H4ED 109.5 . . ?
C3E' C4E' H4EE 109.5 . . ?
H4ED C4E' H4EE 109.5 . . ?
C3E' C4E' H4EF 109.5 . . ?
H4ED C4E' H4EF 109.5 . . ?
H4EE C4E' H4EF 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
C7 P1 C1 C6 143.1(6) . . . . ?
C13 P1 C1 C6 -100.9(7) . . . . ?
Au1 P1 C1 C6 18.4(7) . . . . ?
C7 P1 C1 C2 -39.1(8) . . . . ?
C13 P1 C1 C2 76.9(7) . . . . ?
Au1 P1 C1 C2 -163.7(6) . . . . ?
C6 C1 C2 C3 -2.0(12) . . . . ?
P1 C1 C2 C3 -179.8(6) . . . . ?
C1 C2 C3 C4 -1.4(13) . . . . ?
C2 C3 C4 C5 3.1(14) . . . . ?
C3 C4 C5 C6 -1.4(13) . . . . ?
C4 C5 C6 C1 -2.0(12) . . . . ?
C4 C5 C6 P2 169.1(7) . . . . ?
C2 C1 C6 C5 3.6(12) . . . . ?
P1 C1 C6 C5 -178.5(6) . . . . ?
C2 C1 C6 P2 -167.8(6) . . . . ?
P1 C1 C6 P2 10.1(9) . . . . ?
C25 P2 C6 C5 27.7(8) . . . . ?
C19 P2 C6 C5 -87.1(8) . . . . ?
Au1 P2 C6 C5 155.9(7) . . . . ?
C25 P2 C6 C1 -161.0(6) . . . . ?
C19 P2 C6 C1 84.2(7) . . . . ?
Au1 P2 C6 C1 -32.8(7) . . . . ?
C13 P1 C7 C12 24.6(7) . . . . ?
C1 P1 C7 C12 140.5(6) . . . . ?
Au1 P1 C7 C12 -103.3(6) . . . . ?
C13 P1 C7 C8 -153.9(6) . . . . ?
C1 P1 C7 C8 -37.9(7) . . . . ?
Au1 P1 C7 C8 78.2(6) . . . . ?
C12 C7 C8 C9 -2.3(12) . . . . ?
P1 C7 C8 C9 176.2(6) . . . . ?
C7 C8 C9 C10 1.4(13) . . . . ?
C8 C9 C10 C11 0.4(13) . . . . ?
C9 C10 C11 C12 -1.4(13) . . . . ?
C8 C7 C12 C11 1.4(11) . . . . ?
P1 C7 C12 C11 -177.1(6) . . . . ?
C10 C11 C12 C7 0.5(12) . . . . ?
C7 P1 C13 C18 -133.9(7) . . . . ?
C1 P1 C13 C18 113.1(7) . . . . ?
Au1 P1 C13 C18 -2.4(8) . . . . ?
C7 P1 C13 C14 49.0(7) . . . . ?
C1 P1 C13 C14 -64.0(7) . . . . ?
Au1 P1 C13 C14 -179.5(6) . . . . ?
C18 C13 C14 C15 1.5(12) . . . . ?
P1 C13 C14 C15 178.6(7) . . . . ?
C13 C14 C15 C16 -0.6(14) . . . . ?
C14 C15 C16 C17 -0.4(14) . . . . ?
C15 C16 C17 C18 0.4(13) . . . . ?
C14 C13 C18 C17 -1.5(12) . . . . ?
P1 C13 C18 C17 -178.6(6) . . . . ?
C16 C17 C18 C13 0.5(13) . . . . ?
C6 P2 C19 C24 173.3(6) . . . . ?
C25 P2 C19 C24 60.0(7) . . . . ?
Au1 P2 C19 C24 -75.0(7) . . . . ?
C6 P2 C19 C20 -10.2(8) . . . . ?
C25 P2 C19 C20 -123.5(7) . . . . ?
Au1 P2 C19 C20 101.5(6) . . . . ?
C24 C19 C20 C21 2.2(12) . . . . ?
P2 C19 C20 C21 -174.3(7) . . . . ?
C19 C20 C21 C22 0.0(13) . . . . ?
C20 C21 C22 C23 -2.8(14) . . . . ?
C21 C22 C23 C24 3.4(13) . . . . ?
C22 C23 C24 C19 -1.2(13) . . . . ?
C20 C19 C24 C23 -1.5(12) . . . . ?
P2 C19 C24 C23 175.0(6) . . . . ?
C6 P2 C25 C26 -108.6(7) . . . . ?
C19 P2 C25 C26 4.0(8) . . . . ?
Au1 P2 C25 C26 133.9(6) . . . . ?
C6 P2 C25 C30 65.1(7) . . . . ?
C19 P2 C25 C30 177.7(6) . . . . ?
Au1 P2 C25 C30 -52.4(7) . . . . ?
C30 C25 C26 C27 0.0(12) . . . . ?
P2 C25 C26 C27 173.6(7) . . . . ?
C25 C26 C27 C28 -0.3(13) . . . . ?
C26 C27 C28 C29 0.5(14) . . . . ?
C27 C28 C29 C30 -0.3(14) . . . . ?
C28 C29 C30 C25 -0.1(13) . . . . ?
C26 C25 C30 C29 0.2(12) . . . . ?
P2 C25 C30 C29 -173.5(6) . . . . ?
C43 P3 C31 C32 -31.5(8) . . . . ?
C37 P3 C31 C32 81.8(7) . . . . ?
Au1 P3 C31 C32 -160.9(6) . . . . ?
C43 P3 C31 C36 156.6(6) . . . . ?
C37 P3 C31 C36 -90.1(7) . . . . ?
Au1 P3 C31 C36 27.2(7) . . . . ?
C36 C31 C32 C33 1.9(12) . . . . ?
P3 C31 C32 C33 -169.8(6) . . . . ?
C31 C32 C33 C34 -0.2(13) . . . . ?
C32 C33 C34 C35 -1.7(13) . . . . ?
C33 C34 C35 C36 1.8(12) . . . . ?
C34 C35 C36 C31 -0.1(12) . . . . ?
C34 C35 C36 P4 173.6(6) . . . . ?
C32 C31 C36 C35 -1.8(12) . . . . ?
P3 C31 C36 C35 170.4(6) . . . . ?
C32 C31 C36 P4 -175.6(6) . . . . ?
P3 C31 C36 P4 -3.3(9) . . . . ?
C49 P4 C36 C35 36.8(7) . . . . ?
C55 P4 C36 C35 -77.7(7) . . . . ?
Au1 P4 C36 C35 164.4(6) . . . . ?
C49 P4 C36 C31 -149.5(6) . . . . ?
C55 P4 C36 C31 96.1(7) . . . . ?
Au1 P4 C36 C31 -21.8(7) . . . . ?
C43 P3 C37 C38 -120.6(7) . . . . ?
C31 P3 C37 C38 126.9(7) . . . . ?
Au1 P3 C37 C38 13.3(7) . . . . ?
C43 P3 C37 C42 60.5(7) . . . . ?
C31 P3 C37 C42 -52.0(7) . . . . ?
Au1 P3 C37 C42 -165.6(6) . . . . ?
C42 C37 C38 C39 -0.9(13) . . . . ?
P3 C37 C38 C39 -179.8(6) . . . . ?
C37 C38 C39 C40 0.9(13) . . . . ?
C38 C39 C40 C41 0.7(14) . . . . ?
C39 C40 C41 C42 -2.4(15) . . . . ?
C40 C41 C42 C37 2.5(15) . . . . ?
C38 C37 C42 C41 -0.9(13) . . . . ?
P3 C37 C42 C41 178.1(7) . . . . ?
C37 P3 C43 C48 -152.6(7) . . . . ?
C31 P3 C43 C48 -40.8(7) . . . . ?
Au1 P3 C43 C48 79.1(7) . . . . ?
C37 P3 C43 C44 24.3(7) . . . . ?
C31 P3 C43 C44 136.0(6) . . . . ?
Au1 P3 C43 C44 -104.1(6) . . . . ?
C48 C43 C44 C45 1.1(12) . . . . ?
P3 C43 C44 C45 -175.7(6) . . . . ?
C43 C44 C45 C46 1.0(13) . . . . ?
C44 C45 C46 C47 -2.2(13) . . . . ?
C45 C46 C47 C48 1.3(13) . . . . ?
C46 C47 C48 C43 0.8(12) . . . . ?
C44 C43 C48 C47 -2.0(12) . . . . ?
P3 C43 C48 C47 174.8(6) . . . . ?
C55 P4 C49 C50 176.6(6) . . . . ?
C36 P4 C49 C50 64.2(7) . . . . ?
Au1 P4 C49 C50 -52.8(7) . . . . ?
C55 P4 C49 C54 4.6(7) . . . . ?
C36 P4 C49 C54 -107.7(6) . . . . ?
Au1 P4 C49 C54 135.2(5) . . . . ?
C54 C49 C50 C51 1.1(11) . . . . ?
P4 C49 C50 C51 -170.8(6) . . . . ?
C49 C50 C51 C52 -0.5(12) . . . . ?
C50 C51 C52 C53 -0.4(12) . . . . ?
C51 C52 C53 C54 0.8(13) . . . . ?
C52 C53 C54 C49 -0.3(12) . . . . ?
C50 C49 C54 C53 -0.7(11) . . . . ?
P4 C49 C54 C53 171.0(6) . . . . ?
C49 P4 C55 C56 58.9(7) . . . . ?
C36 P4 C55 C56 170.2(6) . . . . ?
Au1 P4 C55 C56 -76.5(7) . . . . ?
C49 P4 C55 C60 -125.4(7) . . . . ?
C36 P4 C55 C60 -14.0(7) . . . . ?
Au1 P4 C55 C60 99.2(6) . . . . ?
C60 C55 C56 C57 -1.9(12) . . . . ?
P4 C55 C56 C57 173.9(6) . . . . ?
C55 C56 C57 C58 -0.5(12) . . . . ?
C56 C57 C58 C59 2.5(12) . . . . ?
C57 C58 C59 C60 -1.9(13) . . . . ?
C58 C59 C60 C55 -0.6(12) . . . . ?
C56 C55 C60 C59 2.5(12) . . . . ?
P4 C55 C60 C59 -173.3(6) . . . . ?
C3E O1E C1E C2E -70.5(18) . . . . ?
C1E O1E C3E C4E 158.3(12) . . . . ?
C3E' O1E' C1E' C2E' -64(11) . . . . ?
C1E' O1E' C3E' C4E' -114(10) . . . . ?

_refine_diff_density_max         1.748
_refine_diff_density_min         -1.872
_refine_diff_density_rms         0.235



