# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_20190301a_0m
_database_code_depnum_ccdc_archive 'CCDC 1966633'
loop_
_audit_author_name
_audit_author_address
chenwanli
;Anhui University
China
;
_audit_update_record             
;
2019-11-19 deposited with the CCDC.	2020-03-09 downloaded from the CCDC.
;
_audit_creation_date             2019-03-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '1(C126 H84 Au11 Cl24 P7)'
_chemical_formula_sum            'C126 H84 Au11 Cl24 P7'
_chemical_formula_weight         4832.20
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   27.949(4)
_cell_length_b                   27.949(4)
_cell_length_c                   34.439(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     23298(8)
_cell_formula_units_Z            5.99994
_cell_measurement_reflns_used    9994
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.047
_cell_measurement_theta_min      2.296
_shelx_estimated_absorpt_T_max   0.409
_shelx_estimated_absorpt_T_min   0.409
_exptl_absorpt_coefficient_mu    10.871
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.2476
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1778 before and 0.0670 after correction.
The Ratio of minimum to maximum transmission is 0.3321.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.066
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             13332
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0838
_diffrn_reflns_av_unetI/netI     0.0700
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            63160
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         1.028
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7768
_reflns_number_total             11371
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.454
_refine_diff_density_min         -1.682
_refine_diff_density_rms         0.205
_refine_ls_extinction_coef       0.0000035(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/4 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         11371
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0527
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0376P)²+380.9385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1176
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 C00U, P3
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3.a Aromatic/amide H refined with riding coordinates:
 C00Q(H00Q), C019(H019), C4(H4), C00Z(H00Z), C00P(H00P), C00L(H00L),
 C00I(H00I), C00J(H00J), C01B(H01B), C13(H13), C01D(H01D), C010(H010),
 C016(H016), C7(H7), C011(H011), C00T(H00T), C00Y(H00Y), C012(H012), C00X(H00X),
  C013(H013), C00W(H00W), C00V(H00V), C11(H11), C01E(H01E), C01C(H01C),
 C14(H14), C01G(H01G), C01A(H01A)
3.b Fitted hexagon refined as free rotating group:
 C00H(C00Q,C019,C018,C4,C00Z), C00K(C00P,C00L,C00M,C00I,C00J), C00N(C01B,C13,
 C12,C01D,C010), C00O(C016,C7,C6,C011,C00T), C00R(C00Y,C012,C017,C00X,C013),
 C00S(C00W,C00V,C015,C11,C01E), C00U(C01C,C14,C01F,C01G,C01A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.666667 0.333333 0.58630(2) 0.03097(14) Uani 1 3 d S T P . .
Au2 Au 0.666667 0.333333 0.66259(2) 0.03529(15) Uani 1 3 d S T P . .
Au3 Au 0.70348(2) 0.43357(2) 0.61627(2) 0.04075(11) Uani 1 1 d . . . . .
Au5 Au 0.59607(2) 0.28647(2) 0.52728(2) 0.04615(12) Uani 1 1 d . . . . .
Au4 Au 0.59698(2) 0.37337(2) 0.57967(2) 0.04668(12) Uani 1 1 d . . . . .
P1 P 0.666667 0.333333 0.72869(10) 0.0327(9) Uani 1 3 d S T P . .
P2 P 0.74035(12) 0.51832(11) 0.64384(7) 0.0445(6) Uani 1 1 d . . . . .
P3 P 0.52775(13) 0.24056(14) 0.48261(7) 0.0567(8) Uani 1 1 d . U . . .
Cl1 Cl 0.53467(15) 0.40683(16) 0.57727(11) 0.0860(10) Uani 1 1 d . . . . .
Cl3 Cl 0.61554(18) 0.51168(16) 0.79927(11) 0.0950(12) Uani 1 1 d . . . . .
Cl2 Cl 0.89978(17) 0.52323(16) 0.77651(11) 0.0987(13) Uani 1 1 d . . . . .
Cl5 Cl 0.9045(2) 0.71258(18) 0.53408(13) 0.1331(19) Uani 1 1 d . . . . .
Cl8 Cl 0.6033(2) 0.1594(2) 0.33618(11) 0.142(2) Uani 1 1 d . . . . .
Cl4 Cl 0.5568(3) 0.5683(3) 0.70546(18) 0.162(2) Uani 1 1 d . . . . .
Cl6 Cl 0.4503(4) 0.3981(4) 0.4096(2) 0.231(4) Uani 1 1 d . . . . .
Cl7 Cl 0.3296(3) 0.0251(3) 0.5536(3) 0.258(5) Uani 1 1 d . . . . .
C00H C 0.5478(3) 0.2139(3) 0.44122(18) 0.065(3) Uani 1 1 d . . . . .
C00Q C 0.5116(3) 0.1646(3) 0.4229(2) 0.089(5) Uani 1 1 d G . . . .
H00Q H 0.475726 0.143067 0.432093 0.106 Uiso 1 1 calc R . . . .
C019 C 0.5290(4) 0.1473(3) 0.3907(2) 0.099(5) Uani 1 1 d G . . . .
H019 H 0.504781 0.114249 0.378394 0.119 Uiso 1 1 calc R . . . .
C018 C 0.5826(4) 0.1794(4) 0.3769(2) 0.089(5) Uani 1 1 d G . . . .
C4 C 0.6188(3) 0.2288(4) 0.3952(2) 0.094(5) Uani 1 1 d G . . . .
H4 H 0.654692 0.250262 0.386000 0.113 Uiso 1 1 calc R . . . .
C00Z C 0.6014(3) 0.2460(3) 0.4274(2) 0.076(4) Uani 1 1 d G . . . .
H00Z H 0.625638 0.279081 0.439699 0.091 Uiso 1 1 calc R . . . .
C00K C 0.6544(3) 0.3859(2) 0.74988(16) 0.039(2) Uani 1 1 d . . . . .
C00P C 0.6211(3) 0.4008(3) 0.72929(14) 0.046(2) Uani 1 1 d G . . . .
H00P H 0.606480 0.384502 0.705401 0.055 Uiso 1 1 calc R . . . .
C00L C 0.6095(3) 0.4400(3) 0.74442(19) 0.057(3) Uani 1 1 d G . . . .
H00L H 0.587206 0.449992 0.730643 0.069 Uiso 1 1 calc R . . . .
C00M C 0.6313(3) 0.4644(3) 0.7801(2) 0.060(3) Uani 1 1 d G . . . .
C00I C 0.6646(3) 0.4495(3) 0.80072(15) 0.058(3) Uani 1 1 d G . . . .
H00I H 0.679218 0.465768 0.824611 0.070 Uiso 1 1 calc R . . . .
C00J C 0.6762(3) 0.4102(3) 0.78559(15) 0.051(3) Uani 1 1 d G . . . .
H00J H 0.698494 0.400277 0.799370 0.061 Uiso 1 1 calc R . . . .
C00N C 0.5010(4) 0.2825(4) 0.4616(2) 0.072(4) Uani 1 1 d . . . . .
C01B C 0.4741(4) 0.2699(4) 0.4259(2) 0.110(6) Uani 1 1 d G . . . .
H01B H 0.467479 0.238257 0.412628 0.133 Uiso 1 1 calc R . . . .
C13 C 0.4570(5) 0.3047(6) 0.4102(3) 0.145(9) Uani 1 1 d G . . . .
H13 H 0.438970 0.296324 0.386326 0.174 Uiso 1 1 calc R . . . .
C12 C 0.4669(5) 0.3521(6) 0.4300(4) 0.150(9) Uani 1 1 d G . . . .
C01D C 0.4938(5) 0.3647(4) 0.4657(3) 0.123(7) Uani 1 1 d G . . . .
H01D H 0.500416 0.396374 0.478973 0.148 Uiso 1 1 calc R . . . .
C010 C 0.5109(4) 0.3299(4) 0.4814(2) 0.089(4) Uani 1 1 d G . . . .
H010 H 0.528925 0.338308 0.505275 0.107 Uiso 1 1 calc R . . . .
C00O C 0.6897(3) 0.5354(3) 0.6626(2) 0.057(3) Uani 1 1 d . . . . .
C016 C 0.6370(3) 0.5070(3) 0.6466(2) 0.066(3) Uani 1 1 d G . . . .
H016 H 0.629096 0.480803 0.627261 0.079 Uiso 1 1 calc R . . . .
C7 C 0.5962(3) 0.5176(4) 0.6595(3) 0.088(4) Uani 1 1 d G . . . .
H7 H 0.560903 0.498618 0.648850 0.105 Uiso 1 1 calc R . . . .
C6 C 0.6080(4) 0.5567(4) 0.6884(3) 0.099(5) Uani 1 1 d G . . . .
C011 C 0.6607(4) 0.5851(4) 0.7044(2) 0.087(4) Uani 1 1 d G . . . .
H011 H 0.668600 0.611300 0.723717 0.104 Uiso 1 1 calc R . . . .
C00T C 0.7015(3) 0.5745(3) 0.6915(2) 0.071(3) Uani 1 1 d G . . . .
H00T H 0.736794 0.593485 0.702129 0.085 Uiso 1 1 calc R . . . .
C00R C 0.7849(3) 0.5744(2) 0.61075(19) 0.052(3) Uani 1 1 d . . . . .
C00Y C 0.8156(3) 0.5645(3) 0.5835(2) 0.062(3) Uani 1 1 d G . . . .
H00Y H 0.811247 0.529362 0.581139 0.074 Uiso 1 1 calc R . . . .
C012 C 0.8527(3) 0.6070(4) 0.55962(19) 0.075(4) Uani 1 1 d G . . . .
H012 H 0.873260 0.600417 0.541364 0.090 Uiso 1 1 calc R . . . .
C017 C 0.8592(3) 0.6595(3) 0.5631(2) 0.074(4) Uani 1 1 d G . . . .
C00X C 0.8285(4) 0.6694(2) 0.5904(3) 0.091(5) Uani 1 1 d G . . . .
H00X H 0.832883 0.704519 0.592690 0.109 Uiso 1 1 calc R . . . .
C013 C 0.7914(3) 0.6268(3) 0.6142(2) 0.069(3) Uani 1 1 d G . . . .
H013 H 0.770870 0.633464 0.632465 0.083 Uiso 1 1 calc R . . . .
C00S C 0.7869(3) 0.5248(3) 0.68349(16) 0.049(3) Uani 1 1 d . . . . .
C00W C 0.7687(3) 0.5140(3) 0.72172(18) 0.052(3) Uani 1 1 d G . . . .
H00W H 0.733218 0.506543 0.727916 0.062 Uiso 1 1 calc R . . . .
C00V C 0.8034(3) 0.5142(3) 0.75071(14) 0.066(3) Uani 1 1 d G . . . .
H00V H 0.791194 0.506970 0.776293 0.080 Uiso 1 1 calc R . . . .
C015 C 0.8564(3) 0.5254(4) 0.7415(2) 0.070(4) Uani 1 1 d G . . . .
C11 C 0.8747(3) 0.5362(4) 0.7032(2) 0.108(6) Uani 1 1 d G . . . .
H11 H 0.910139 0.543659 0.697025 0.130 Uiso 1 1 calc R . . . .
C01E C 0.8399(3) 0.5360(4) 0.67423(17) 0.098(5) Uani 1 1 d G . . . .
H01E H 0.852163 0.543232 0.648646 0.117 Uiso 1 1 calc R . . . .
C00U C 0.4689(3) 0.1792(3) 0.5026(2) 0.068(3) Uani 1 1 d . U . . .
C01C C 0.4146(4) 0.1635(5) 0.4934(3) 0.103(5) Uani 1 1 d G . . . .
H01C H 0.407057 0.185129 0.476825 0.123 Uiso 1 1 calc R . . . .
C14 C 0.3714(3) 0.1153(5) 0.5091(4) 0.132(8) Uani 1 1 d G . . . .
H14 H 0.335081 0.104759 0.502934 0.159 Uiso 1 1 calc R . . . .
C01F C 0.3827(4) 0.0829(4) 0.5339(4) 0.130(8) Uani 1 1 d G . . . .
C01G C 0.4370(5) 0.0987(4) 0.5431(3) 0.114(6) Uani 1 1 d G . . . .
H01G H 0.444533 0.077045 0.559682 0.137 Uiso 1 1 calc R . . . .
C01A C 0.4801(3) 0.1469(4) 0.5274(3) 0.083(4) Uani 1 1 d G . . . .
H01A H 0.516510 0.157416 0.533573 0.100 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 2.6276(8) . ?
Au1 Au3 2.6627(5) . ?
Au1 Au3 2.6626(5) 3_665 ?
Au1 Au3 2.6627(5) 2_655 ?
Au1 Au5 2.6749(6) 3_665 ?
Au1 Au5 2.6750(6) . ?
Au1 Au5 2.6749(6) 2_655 ?
Au1 Au4 2.6975(6) 2_655 ?
Au1 Au4 2.6975(6) 3_665 ?
Au1 Au4 2.6974(6) . ?
Au2 Au3 2.9273(6) 3_665 ?
Au2 Au3 2.9274(6) 2_655 ?
Au2 Au3 2.9275(6) . ?
Au2 P1 2.276(3) . ?
Au3 Au5 3.1477(7) 3_665 ?
Au3 Au4 2.8759(7) . ?
Au3 Au4 2.8652(7) 3_665 ?
Au3 P2 2.266(3) . ?
Au5 Au3 3.1479(7) 2_655 ?
Au5 Au5 3.0124(8) 2_655 ?
Au5 Au5 3.0123(9) 3_665 ?
Au5 Au4 2.9277(7) 2_655 ?
Au5 Au4 3.0154(7) . ?
Au5 P3 2.282(3) . ?
Au4 Au3 2.8651(7) 2_655 ?
Au4 Au5 2.9277(7) 3_665 ?
Au4 Cl1 2.355(3) . ?
P1 C00K 1.820(5) 2_655 ?
P1 C00K 1.820(5) . ?
P1 C00K 1.820(5) 3_665 ?
P2 C00O 1.822(6) . ?
P2 C00R 1.831(6) . ?
P2 C00S 1.832(6) . ?
P3 C00H 1.821(6) . ?
P3 C00N 1.826(8) . ?
P3 C00U 1.816(8) . ?
Cl3 C00M 1.720(5) . ?
Cl2 C015 1.733(6) . ?
Cl5 C017 1.710(6) . ?
Cl8 C018 1.713(6) . ?
Cl4 C6 1.719(7) . ?
Cl6 C12 1.722(9) . ?
Cl7 C01F 1.695(10) . ?
C00H C00Q 1.3900 . ?
C00H C00Z 1.3900 . ?
C00Q C019 1.3900 . ?
C019 C018 1.3900 . ?
C018 C4 1.3900 . ?
C4 C00Z 1.3900 . ?
C00K C00P 1.3900 . ?
C00K C00J 1.3900 . ?
C00P C00L 1.3900 . ?
C00L C00M 1.3900 . ?
C00M C00I 1.3900 . ?
C00I C00J 1.3900 . ?
C00N C01B 1.3900 . ?
C00N C010 1.3900 . ?
C01B C13 1.3900 . ?
C13 C12 1.3900 . ?
C12 C01D 1.3900 . ?
C01D C010 1.3900 . ?
C00O C016 1.3900 . ?
C00O C00T 1.3900 . ?
C016 C7 1.3900 . ?
C7 C6 1.3900 . ?
C6 C011 1.3900 . ?
C011 C00T 1.3900 . ?
C00R C00Y 1.3900 . ?
C00R C013 1.3900 . ?
C00Y C012 1.3900 . ?
C012 C017 1.3900 . ?
C017 C00X 1.3900 . ?
C00X C013 1.3900 . ?
C00S C00W 1.3900 . ?
C00S C01E 1.3900 . ?
C00W C00V 1.3900 . ?
C00V C015 1.3900 . ?
C015 C11 1.3900 . ?
C11 C01E 1.3900 . ?
C00U C01C 1.3900 . ?
C00U C01A 1.3900 . ?
C01C C14 1.3900 . ?
C14 C01F 1.3900 . ?
C01F C01G 1.3900 . ?
C01G C01A 1.3900 . ?

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
Au2 Au1 Au3 67.189(13) . 3_665 ?
Au2 Au1 Au3 67.191(13) . 2_655 ?
Au2 Au1 Au3 67.192(13) . . ?
Au2 Au1 Au5 139.445(13) . 2_655 ?
Au2 Au1 Au5 139.445(12) . 3_665 ?
Au2 Au1 Au5 139.446(13) . . ?
Au2 Au1 Au4 94.855(13) . 3_665 ?
Au2 Au1 Au4 94.852(13) . . ?
Au2 Au1 Au4 94.855(13) . 2_655 ?
Au3 Au1 Au3 105.938(15) 3_665 2_655 ?
Au3 Au1 Au3 105.936(15) 3_665 . ?
Au3 Au1 Au3 105.936(15) 2_655 . ?
Au3 Au1 Au5 72.278(16) 2_655 . ?
Au3 Au1 Au5 125.166(15) 3_665 . ?
Au3 Au1 Au5 72.275(16) . 3_665 ?
Au3 Au1 Au5 127.746(15) 2_655 2_655 ?
Au3 Au1 Au5 72.277(16) 3_665 2_655 ?
Au3 Au1 Au5 127.745(15) 3_665 3_665 ?
Au3 Au1 Au5 125.163(15) . 2_655 ?
Au3 Au1 Au5 125.162(15) 2_655 3_665 ?
Au3 Au1 Au5 127.742(15) . . ?
Au3 Au1 Au4 64.892(12) . . ?
Au3 Au1 Au4 64.623(12) 3_665 2_655 ?
Au3 Au1 Au4 64.620(12) 2_655 . ?
Au3 Au1 Au4 64.895(13) 3_665 3_665 ?
Au3 Au1 Au4 162.04(2) 3_665 . ?
Au3 Au1 Au4 162.04(2) 2_655 3_665 ?
Au3 Au1 Au4 162.05(2) . 2_655 ?
Au3 Au1 Au4 64.621(12) . 3_665 ?
Au3 Au1 Au4 64.897(12) 2_655 2_655 ?
Au5 Au1 Au5 68.54(2) 3_665 . ?
Au5 Au1 Au5 68.54(2) 2_655 3_665 ?
Au5 Au1 Au5 68.54(2) 2_655 . ?
Au5 Au1 Au4 66.039(14) 2_655 3_665 ?
Au5 Au1 Au4 68.287(14) . . ?
Au5 Au1 Au4 125.68(2) 2_655 . ?
Au5 Au1 Au4 68.284(14) 3_665 3_665 ?
Au5 Au1 Au4 125.68(2) . 3_665 ?
Au5 Au1 Au4 66.040(14) 3_665 . ?
Au5 Au1 Au4 68.284(14) 2_655 2_655 ?
Au5 Au1 Au4 125.68(2) 3_665 2_655 ?
Au5 Au1 Au4 66.040(14) . 2_655 ?
Au4 Au1 Au4 119.294(4) 2_655 . ?
Au4 Au1 Au4 119.292(4) 2_655 3_665 ?
Au4 Au1 Au4 119.290(4) 3_665 . ?
Au1 Au2 Au3 56.977(12) . 2_655 ?
Au1 Au2 Au3 56.976(12) . . ?
Au1 Au2 Au3 56.975(12) . 3_665 ?
Au3 Au2 Au3 93.122(17) 3_665 . ?
Au3 Au2 Au3 93.122(17) 2_655 . ?
Au3 Au2 Au3 93.125(17) 3_665 2_655 ?
P1 Au2 Au1 180.0 . . ?
P1 Au2 Au3 123.023(12) . 2_655 ?
P1 Au2 Au3 123.025(12) . 3_665 ?
P1 Au2 Au3 123.024(12) . . ?
Au1 Au3 Au2 55.832(18) . . ?
Au1 Au3 Au5 54.043(14) . 3_665 ?
Au1 Au3 Au4 58.277(12) . 3_665 ?
Au1 Au3 Au4 58.138(12) . . ?
Au2 Au3 Au5 109.863(18) . 3_665 ?
Au4 Au3 Au2 85.022(15) . . ?
Au4 Au3 Au2 85.217(15) 3_665 . ?
Au4 Au3 Au5 57.949(13) . 3_665 ?
Au4 Au3 Au5 59.975(13) 3_665 3_665 ?
Au4 Au3 Au4 108.36(2) 3_665 . ?
P2 Au3 Au1 175.50(7) . . ?
P2 Au3 Au2 122.04(6) . . ?
P2 Au3 Au5 127.98(6) . 3_665 ?
P2 Au3 Au4 118.45(8) . 3_665 ?
P2 Au3 Au4 126.30(7) . . ?
Au1 Au5 Au3 53.681(15) . 2_655 ?
Au1 Au5 Au5 55.731(10) . 2_655 ?
Au1 Au5 Au5 55.731(10) . 3_665 ?
Au1 Au5 Au4 56.209(12) . . ?
Au1 Au5 Au4 57.348(12) . 2_655 ?
Au5 Au5 Au3 100.529(11) 3_665 2_655 ?
Au5 Au5 Au3 102.120(11) 2_655 2_655 ?
Au5 Au5 Au5 60.0 3_665 2_655 ?
Au5 Au5 Au4 58.116(16) 3_665 . ?
Au5 Au5 Au4 104.931(14) 2_655 . ?
Au4 Au5 Au3 56.368(14) 2_655 2_655 ?
Au4 Au5 Au3 55.353(14) . 2_655 ?
Au4 Au5 Au5 107.154(14) 2_655 3_665 ?
Au4 Au5 Au5 60.991(16) 2_655 2_655 ?
Au4 Au5 Au4 103.12(2) 2_655 . ?
P3 Au5 Au1 172.93(8) . . ?
P3 Au5 Au3 119.27(8) . 2_655 ?
P3 Au5 Au5 129.52(8) . 2_655 ?
P3 Au5 Au5 130.02(8) . 3_665 ?
P3 Au5 Au4 121.60(8) . . ?
P3 Au5 Au4 119.42(9) . 2_655 ?
Au1 Au4 Au3 57.104(12) . 2_655 ?
Au1 Au4 Au3 56.970(12) . . ?
Au1 Au4 Au5 56.611(14) . 3_665 ?
Au1 Au4 Au5 55.504(14) . . ?
Au3 Au4 Au3 95.549(19) 2_655 . ?
Au3 Au4 Au5 109.750(17) 2_655 3_665 ?
Au3 Au4 Au5 108.843(17) . . ?
Au3 Au4 Au5 65.685(17) . 3_665 ?
Au3 Au4 Au5 64.670(17) 2_655 . ?
Au5 Au4 Au5 60.889(18) 3_665 . ?
Cl1 Au4 Au1 177.00(10) . . ?
Cl1 Au4 Au3 120.66(10) . 2_655 ?
Cl1 Au4 Au3 122.53(9) . . ?
Cl1 Au4 Au5 126.07(9) . . ?
Cl1 Au4 Au5 126.24(10) . 3_665 ?
C00K P1 Au2 113.6(2) 2_655 . ?
C00K P1 Au2 113.6(2) . . ?
C00K P1 Au2 113.6(2) 3_665 . ?
C00K P1 C00K 105.0(2) 3_665 . ?
C00K P1 C00K 105.0(2) 3_665 2_655 ?
C00K P1 C00K 105.0(2) 2_655 . ?
C00O P2 Au3 114.5(3) . . ?
C00O P2 C00R 106.3(4) . . ?
C00O P2 C00S 108.5(3) . . ?
C00R P2 Au3 113.1(2) . . ?
C00R P2 C00S 103.5(4) . . ?
C00S P2 Au3 110.2(3) . . ?
C00H P3 Au5 114.5(3) . . ?
C00H P3 C00N 105.1(4) . . ?
C00N P3 Au5 113.7(3) . . ?
C00U P3 Au5 112.5(3) . . ?
C00U P3 C00H 103.3(4) . . ?
C00U P3 C00N 106.8(5) . . ?
C00Q C00H P3 122.8(5) . . ?
C00Q C00H C00Z 120.0 . . ?
C00Z C00H P3 117.2(5) . . ?
C00H C00Q C019 120.0 . . ?
C00Q C019 C018 120.0 . . ?
C019 C018 Cl8 120.0(6) . . ?
C4 C018 Cl8 120.0(6) . . ?
C4 C018 C019 120.0 . . ?
C00Z C4 C018 120.0 . . ?
C4 C00Z C00H 120.0 . . ?
C00P C00K P1 117.5(3) . . ?
C00P C00K C00J 120.0 . . ?
C00J C00K P1 122.5(3) . . ?
C00L C00P C00K 120.0 . . ?
C00P C00L C00M 120.0 . . ?
C00L C00M Cl3 119.8(4) . . ?
C00I C00M Cl3 120.1(4) . . ?
C00I C00M C00L 120.0 . . ?
C00M C00I C00J 120.0 . . ?
C00I C00J C00K 120.0 . . ?
C01B C00N P3 122.1(5) . . ?
C01B C00N C010 120.0 . . ?
C010 C00N P3 117.8(6) . . ?
C13 C01B C00N 120.0 . . ?
C12 C13 C01B 120.0 . . ?
C13 C12 Cl6 120.7(9) . . ?
C01D C12 Cl6 119.1(9) . . ?
C01D C12 C13 120.0 . . ?
C12 C01D C010 120.0 . . ?
C01D C010 C00N 120.0 . . ?
C016 C00O P2 116.8(5) . . ?
C016 C00O C00T 120.0 . . ?
C00T C00O P2 123.2(5) . . ?
C00O C016 C7 120.0 . . ?
C6 C7 C016 120.0 . . ?
C7 C6 Cl4 119.9(7) . . ?
C011 C6 Cl4 120.0(7) . . ?
C011 C6 C7 120.0 . . ?
C00T C011 C6 120.0 . . ?
C011 C00T C00O 120.0 . . ?
C00Y C00R P2 118.3(4) . . ?
C00Y C00R C013 120.0 . . ?
C013 C00R P2 121.6(4) . . ?
C00R C00Y C012 120.0 . . ?
C017 C012 C00Y 120.0 . . ?
C012 C017 Cl5 121.0(6) . . ?
C012 C017 C00X 120.0 . . ?
C00X C017 Cl5 119.0(6) . . ?
C013 C00X C017 120.0 . . ?
C00X C013 C00R 120.0 . . ?
C00W C00S P2 121.3(4) . . ?
C00W C00S C01E 120.0 . . ?
C01E C00S P2 118.5(4) . . ?
C00S C00W C00V 120.0 . . ?
C015 C00V C00W 120.0 . . ?
C00V C015 Cl2 121.2(5) . . ?
C00V C015 C11 120.0 . . ?
C11 C015 Cl2 118.7(5) . . ?
C015 C11 C01E 120.0 . . ?
C11 C01E C00S 120.0 . . ?
C01C C00U P3 122.9(6) . . ?
C01C C00U C01A 120.0 . . ?
C01A C00U P3 117.1(6) . . ?
C14 C01C C00U 120.0 . . ?
C01C C14 C01F 120.0 . . ?
C14 C01F Cl7 119.5(9) . . ?
C01G C01F Cl7 120.5(9) . . ?
C01G C01F C14 120.0 . . ?
C01A C01G C01F 120.0 . . ?
C01G C01A C00U 120.0 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 21.8 2.7 ?
2 -0.209 -0.994 -0.946 4922.5 1161.1 ?
3 0.333 0.667 0.667 21.8 2.7 ?
4 0.667 0.333 0.333 21.8 2.7 ?

_olex2_submission_special_instructions 'No special instructions were received'
