# Electronic Supplementary Material (ESI) for Nanoscale Advances.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_exp_1661_auto
_database_code_depnum_ccdc_archive 'CCDC 2251680'
loop_
_audit_author_name
_audit_author_address
'Xiaoshuang Ma'
;Qingdao University of Science and Technology
China
;
_audit_update_record             
;
2023-03-26 deposited with the CCDC.	2023-05-09 downloaded from the CCDC.
;
_audit_creation_date             2023-01-12
_audit_creation_method           
;
Olex2 1.3-beta
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_weight         2090.74
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Au I C P'
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'
I I -0.4742 1.8119 '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      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
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                   12.8328(6)
_cell_length_b                   25.9977(10)
_cell_length_c                   20.2930(9)
_cell_angle_alpha                90
_cell_angle_beta                 106.861(4)
_cell_angle_gamma                90
_cell_volume                     6479.1(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      31.0960
_cell_measurement_theta_min      2.3170
_shelx_estimated_absorpt_T_max   0.632
_shelx_estimated_absorpt_T_min   0.582
_exptl_absorpt_coefficient_mu    10.123
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.143
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             3896
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0630
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.751
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            18072
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.751
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.241
_diffrn_reflns_theta_min         2.097
_diffrn_ambient_environment      N~2~
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.751
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -3.00  71.00   0.50    1.50    --    1.71  38.00  30.00  148
  2  ω    -75.00  -3.00   0.50    1.50    --   -5.31 -19.00-180.00  144
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0189132000
_diffrn_orient_matrix_UB_12      0.0209312000
_diffrn_orient_matrix_UB_13      -0.0227386000
_diffrn_orient_matrix_UB_21      -0.0120524000
_diffrn_orient_matrix_UB_22      -0.0171819000
_diffrn_orient_matrix_UB_23      -0.0283719000
_diffrn_orient_matrix_UB_31      -0.0532284000
_diffrn_orient_matrix_UB_32      -0.0035393000
_diffrn_orient_matrix_UB_33      0.0030135000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6216
_reflns_number_total             7931
_reflns_odcompleteness_completeness 99.16
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3-beta (Bourhis et al., 2015)'
_refine_diff_density_max         2.266
_refine_diff_density_min         -1.245
_refine_diff_density_rms         0.209
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         7931
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0364
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0232P)²+8.7145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0781
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C8(H8), C7(H7), C6(H6), C5(H5), C17(H17), C16(H16), C15(H15),
 C14(H14), C13(H13), C23(H23), C22(H22), C3(H3), C20(H20), C19(H19), C21(H21),
 C33(H33), C30(H30), C34(H34), C36(H36), C29(H29), C2(H2), C27(H27), C26(H26),
 C10(H10), C32(H32), C11(H11), C35(H35), C31(H31), C37(H37)
2.b Fitted hexagon refined as free rotating group:
 C9(C8,C7,C6,C5,C4), C12(C17,C16,C15,C14,C13), C18(C23,C22,C3,C20,C19),
 C21(C33,C30,C34,C36,C25), C24(C29,C2,C27,C26,C10), C28(C32,C11,C35,C31,C37)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.46068(2) 0.66315(2) 0.30658(2) 0.01605(6) Uani 1 1 d . . . . .
Au2 Au 0.59855(2) 0.58887(2) 0.29969(2) 0.01694(6) Uani 1 1 d . . . . .
I2 I 0.58487(4) 0.62043(2) 0.43774(2) 0.03062(11) Uani 1 1 d . . . . .
P2 P 0.34903(11) 0.73142(6) 0.30928(8) 0.0176(3) Uani 1 1 d . . . . .
P3 P 0.71866(11) 0.52288(6) 0.30711(8) 0.0174(3) Uani 1 1 d . . . . .
C9 C 0.2503(3) 0.71636(12) 0.1717(2) 0.0275(15) Uani 1 1 d G . . . .
H9 H 0.273340 0.681855 0.182491 0.033 Uiso 1 1 calc R U . . .
C8 C 0.1923(3) 0.72952(16) 0.10473(18) 0.0319(16) Uani 1 1 d G . . . .
H8 H 0.175775 0.704013 0.069704 0.038 Uiso 1 1 calc R U . . .
C7 C 0.1585(3) 0.78000(18) 0.08898(17) 0.0349(18) Uani 1 1 d G . . . .
H7 H 0.118924 0.788998 0.043193 0.042 Uiso 1 1 calc R U . . .
C6 C 0.1827(3) 0.81732(13) 0.1402(2) 0.0377(18) Uani 1 1 d G . . . .
H6 H 0.159636 0.851826 0.129469 0.045 Uiso 1 1 calc R U . . .
C5 C 0.2407(3) 0.80416(13) 0.2072(2) 0.0300(15) Uani 1 1 d G . . . .
H5 H 0.257201 0.829669 0.242257 0.036 Uiso 1 1 calc R U . . .
C4 C 0.2744(3) 0.75368(14) 0.22298(15) 0.0202(12) Uani 1 1 d G . . . .
C12 C 0.4171(3) 0.78757(13) 0.3585(2) 0.0200(12) Uani 1 1 d G . . . .
C17 C 0.5302(3) 0.78965(14) 0.3805(2) 0.0222(13) Uani 1 1 d G . . . .
H17 H 0.571651 0.763780 0.366600 0.027 Uiso 1 1 calc R U . . .
C16 C 0.5825(2) 0.82957(16) 0.4228(2) 0.0302(15) Uani 1 1 d G . . . .
H16 H 0.659831 0.830995 0.437853 0.036 Uiso 1 1 calc R U . . .
C15 C 0.5218(3) 0.86742(14) 0.4432(2) 0.0293(15) Uani 1 1 d G . . . .
H15 H 0.557650 0.894710 0.472117 0.035 Uiso 1 1 calc R U . . .
C14 C 0.4088(3) 0.86534(13) 0.4212(2) 0.0289(15) Uani 1 1 d G . . . .
H14 H 0.367289 0.891210 0.435127 0.035 Uiso 1 1 calc R U . . .
C13 C 0.3564(2) 0.82542(15) 0.3789(2) 0.0257(14) Uani 1 1 d G . . . .
H13 H 0.279107 0.823996 0.363873 0.031 Uiso 1 1 calc R U . . .
C18 C 0.2435(3) 0.71919(16) 0.35130(18) 0.0185(12) Uani 1 1 d G . . . .
C23 C 0.1379(3) 0.73785(17) 0.32599(17) 0.0258(14) Uani 1 1 d G . . . .
H23 H 0.114938 0.753421 0.281772 0.031 Uiso 1 1 calc R U . . .
C22 C 0.0659(2) 0.73373(19) 0.3654(2) 0.0335(16) Uani 1 1 d G . . . .
H22 H -0.006249 0.746484 0.348080 0.040 Uiso 1 1 calc R U . . .
C3 C 0.0995(3) 0.7109(2) 0.4301(2) 0.0354(17) Uani 1 1 d G . . . .
H3 H 0.050349 0.708129 0.456994 0.042 Uiso 1 1 calc R U . . .
C20 C 0.2052(3) 0.69228(19) 0.45539(17) 0.0325(16) Uani 1 1 d G . . . .
H20 H 0.228135 0.676711 0.499603 0.039 Uiso 1 1 calc R U . . .
C19 C 0.2771(2) 0.69640(18) 0.4160(2) 0.0263(14) Uani 1 1 d G . . . .
H19 H 0.349323 0.683648 0.433297 0.032 Uiso 1 1 calc R U . . .
C21 C 0.6821(3) 0.47439(13) 0.42132(19) 0.0257(14) Uani 1 1 d G . . . .
H21 H 0.712553 0.504542 0.445863 0.031 Uiso 1 1 calc R U . . .
C33 C 0.6404(3) 0.43593(16) 0.45401(16) 0.0300(15) Uani 1 1 d G . . . .
H33 H 0.642362 0.439801 0.500907 0.036 Uiso 1 1 calc R U . . .
C30 C 0.5959(3) 0.39181(14) 0.4181(2) 0.0265(14) Uani 1 1 d G . . . .
H30 H 0.567368 0.365523 0.440445 0.032 Uiso 1 1 calc R U . . .
C34 C 0.5930(3) 0.38614(12) 0.3495(2) 0.0320(16) Uani 1 1 d G . . . .
H34 H 0.562565 0.355985 0.324940 0.038 Uiso 1 1 calc R U . . .
C36 C 0.6347(3) 0.42460(15) 0.31679(16) 0.0243(13) Uani 1 1 d G . . . .
H36 H 0.632756 0.420724 0.269895 0.029 Uiso 1 1 calc R U . . .
C25 C 0.6793(3) 0.46872(13) 0.35270(19) 0.0201(13) Uani 1 1 d G . . . .
C24 C 0.8605(2) 0.53968(15) 0.3499(2) 0.0204(12) Uani 1 1 d G . . . .
C29 C 0.9306(3) 0.50920(14) 0.3997(2) 0.0270(14) Uani 1 1 d G . . . .
H29 H 0.903424 0.479778 0.417138 0.032 Uiso 1 1 calc R U . . .
C2 C 1.0404(3) 0.52175(17) 0.4241(2) 0.0385(18) Uani 1 1 d G . . . .
H2 H 1.088257 0.500921 0.458137 0.046 Uiso 1 1 calc R U . . .
C27 C 1.0801(2) 0.56480(18) 0.3986(3) 0.0366(18) Uani 1 1 d G . . . .
H27 H 1.155105 0.573380 0.415239 0.044 Uiso 1 1 calc R U . . .
C26 C 1.0100(3) 0.59528(16) 0.3488(3) 0.0406(19) Uani 1 1 d G . . . .
H26 H 1.037119 0.624699 0.331343 0.049 Uiso 1 1 calc R U . . .
C10 C 0.9002(3) 0.58272(15) 0.3244(2) 0.0338(16) Uani 1 1 d G . . . .
H10 H 0.852285 0.603557 0.290343 0.041 Uiso 1 1 calc R U . . .
C28 C 0.7282(3) 0.49478(15) 0.22712(16) 0.0195(12) Uani 1 1 d G . . . .
C32 C 0.8174(3) 0.46466(17) 0.22653(18) 0.0308(15) Uani 1 1 d G . . . .
H32 H 0.874871 0.459721 0.267751 0.037 Uiso 1 1 calc R U . . .
C11 C 0.8225(3) 0.44177(17) 0.1656(2) 0.0361(17) Uani 1 1 d G . . . .
H11 H 0.883430 0.421179 0.165245 0.043 Uiso 1 1 calc R U . . .
C35 C 0.7383(4) 0.44900(18) 0.10534(18) 0.0386(18) Uani 1 1 d G . . . .
H35 H 0.741798 0.433348 0.063725 0.046 Uiso 1 1 calc R U . . .
C31 C 0.6491(3) 0.47912(18) 0.10592(16) 0.0320(16) Uani 1 1 d G . . . .
H31 H 0.591607 0.484058 0.064708 0.038 Uiso 1 1 calc R U . . .
C37 C 0.6440(3) 0.50201(16) 0.1668(2) 0.0269(14) Uani 1 1 d G . . . .
H37 H 0.583046 0.522601 0.167213 0.032 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 Au1 2.7632(5) 2_655 ?
Au1 Au2 2.8296(3) 2_655 ?
Au1 Au2 2.6500(3) . ?
Au1 I2 2.8978(5) . ?
Au1 P2 2.2916(15) . ?
Au2 Au2 2.7395(4) 2_655 ?
Au2 I2 2.9729(5) . ?
Au2 P3 2.2819(15) . ?
P2 C4 1.829(3) . ?
P2 C12 1.840(3) . ?
P2 C18 1.825(3) . ?
P3 C25 1.835(3) . ?
P3 C24 1.828(3) . ?
P3 C28 1.816(3) . ?
C9 H9 0.9500 . ?
C9 C8 1.3900 . ?
C9 C4 1.3900 . ?
C8 H8 0.9500 . ?
C8 C7 1.3900 . ?
C7 H7 0.9500 . ?
C7 C6 1.3900 . ?
C6 H6 0.9500 . ?
C6 C5 1.3900 . ?
C5 H5 0.9500 . ?
C5 C4 1.3900 . ?
C12 C17 1.3900 . ?
C12 C13 1.3900 . ?
C17 H17 0.9500 . ?
C17 C16 1.3900 . ?
C16 H16 0.9500 . ?
C16 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C14 1.3900 . ?
C14 H14 0.9500 . ?
C14 C13 1.3900 . ?
C13 H13 0.9500 . ?
C18 C23 1.3900 . ?
C18 C19 1.3900 . ?
C23 H23 0.9500 . ?
C23 C22 1.3900 . ?
C22 H22 0.9500 . ?
C22 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C19 1.3900 . ?
C19 H19 0.9500 . ?
C21 H21 0.9500 . ?
C21 C33 1.3900 . ?
C21 C25 1.3900 . ?
C33 H33 0.9500 . ?
C33 C30 1.3900 . ?
C30 H30 0.9500 . ?
C30 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C25 1.3900 . ?
C24 C29 1.3900 . ?
C24 C10 1.3900 . ?
C29 H29 0.9500 . ?
C29 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C10 1.3900 . ?
C10 H10 0.9500 . ?
C28 C32 1.3900 . ?
C28 C37 1.3900 . ?
C32 H32 0.9500 . ?
C32 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C37 1.3900 . ?
C37 H37 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
Au1 Au1 Au2 56.551(8) 2_655 2_655 ?
Au1 Au1 I2 121.813(14) 2_655 . ?
Au2 Au1 Au1 62.986(8) . 2_655 ?
Au2 Au1 Au2 59.886(10) . 2_655 ?
Au2 Au1 I2 64.625(11) . . ?
Au2 Au1 I2 113.143(12) 2_655 . ?
P2 Au1 Au1 113.67(4) . 2_655 ?
P2 Au1 Au2 121.01(4) . 2_655 ?
P2 Au1 Au2 175.78(4) . . ?
P2 Au1 I2 117.13(4) . . ?
Au1 Au2 Au1 60.462(10) . 2_655 ?
Au1 Au2 Au2 63.313(8) . 2_655 ?
Au1 Au2 I2 116.973(12) 2_655 . ?
Au1 Au2 I2 61.727(11) . . ?
Au2 Au2 Au1 56.802(7) 2_655 2_655 ?
Au2 Au2 I2 113.543(15) 2_655 . ?
P3 Au2 Au1 173.18(4) . . ?
P3 Au2 Au1 126.19(4) . 2_655 ?
P3 Au2 Au2 120.69(4) . 2_655 ?
P3 Au2 I2 111.63(4) . . ?
Au1 I2 Au2 53.648(10) . . ?
C4 P2 Au1 112.29(15) . . ?
C4 P2 C12 107.65(19) . . ?
C12 P2 Au1 115.20(13) . . ?
C18 P2 Au1 115.47(15) . . ?
C18 P2 C4 104.44(18) . . ?
C18 P2 C12 100.6(2) . . ?
C25 P3 Au2 109.31(14) . . ?
C24 P3 Au2 114.34(15) . . ?
C24 P3 C25 109.03(18) . . ?
C28 P3 Au2 117.55(13) . . ?
C28 P3 C25 104.0(2) . . ?
C28 P3 C24 101.8(2) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C4 120.0 . . ?
C4 C9 H9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C7 H7 120.0 . . ?
C6 C7 C8 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C9 C4 P2 115.9(2) . . ?
C5 C4 P2 124.1(2) . . ?
C5 C4 C9 120.0 . . ?
C17 C12 P2 119.5(2) . . ?
C17 C12 C13 120.0 . . ?
C13 C12 P2 120.3(2) . . ?
C12 C17 H17 120.0 . . ?
C12 C17 C16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C23 C18 P2 122.8(2) . . ?
C23 C18 C19 120.0 . . ?
C19 C18 P2 116.5(2) . . ?
C18 C23 H23 120.0 . . ?
C22 C23 C18 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C22 H22 120.0 . . ?
C23 C22 C3 120.0 . . ?
C3 C22 H22 120.0 . . ?
C22 C3 H3 120.0 . . ?
C22 C3 C20 120.0 . . ?
C20 C3 H3 120.0 . . ?
C3 C20 H20 120.0 . . ?
C19 C20 C3 120.0 . . ?
C19 C20 H20 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C33 C21 H21 120.0 . . ?
C33 C21 C25 120.0 . . ?
C25 C21 H21 120.0 . . ?
C21 C33 H33 120.0 . . ?
C21 C33 C30 120.0 . . ?
C30 C33 H33 120.0 . . ?
C33 C30 H30 120.0 . . ?
C34 C30 C33 120.0 . . ?
C34 C30 H30 120.0 . . ?
C30 C34 H34 120.0 . . ?
C36 C34 C30 120.0 . . ?
C36 C34 H34 120.0 . . ?
C34 C36 H36 120.0 . . ?
C25 C36 C34 120.0 . . ?
C25 C36 H36 120.0 . . ?
C21 C25 P3 119.5(2) . . ?
C36 C25 P3 120.0(2) . . ?
C36 C25 C21 120.0 . . ?
C29 C24 P3 123.7(2) . . ?
C29 C24 C10 120.0 . . ?
C10 C24 P3 116.0(2) . . ?
C24 C29 H29 120.0 . . ?
C24 C29 C2 120.0 . . ?
C2 C29 H29 120.0 . . ?
C29 C2 H2 120.0 . . ?
C27 C2 C29 120.0 . . ?
C27 C2 H2 120.0 . . ?
C2 C27 H27 120.0 . . ?
C2 C27 C26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C27 C26 C10 120.0 . . ?
C10 C26 H26 120.0 . . ?
C24 C10 H10 120.0 . . ?
C26 C10 C24 120.0 . . ?
C26 C10 H10 120.0 . . ?
C32 C28 P3 120.2(2) . . ?
C32 C28 C37 120.0 . . ?
C37 C28 P3 119.7(2) . . ?
C28 C32 H32 120.0 . . ?
C11 C32 C28 120.0 . . ?
C11 C32 H32 120.0 . . ?
C32 C11 H11 120.0 . . ?
C32 C11 C35 120.0 . . ?
C35 C11 H11 120.0 . . ?
C11 C35 H35 120.0 . . ?
C31 C35 C11 120.0 . . ?
C31 C35 H35 120.0 . . ?
C35 C31 H31 120.0 . . ?
C35 C31 C37 120.0 . . ?
C37 C31 H31 120.0 . . ?
C28 C37 H37 120.0 . . ?
C31 C37 C28 120.0 . . ?
C31 C37 H37 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P2 C4 C9 30.3(2) . . . . ?
Au1 P2 C4 C5 -150.8(2) . . . . ?
Au1 P2 C12 C17 10.9(3) . . . . ?
Au1 P2 C12 C13 -163.40(19) . . . . ?
Au1 P2 C18 C23 -139.6(2) . . . . ?
Au1 P2 C18 C19 49.5(3) . . . . ?
Au2 P3 C25 C21 -64.4(2) . . . . ?
Au2 P3 C25 C36 108.0(2) . . . . ?
Au2 P3 C24 C29 134.4(2) . . . . ?
Au2 P3 C24 C10 -52.7(3) . . . . ?
Au2 P3 C28 C32 163.0(2) . . . . ?
Au2 P3 C28 C37 -19.3(3) . . . . ?
P2 C12 C17 C16 -174.3(3) . . . . ?
P2 C12 C13 C14 174.3(3) . . . . ?
P2 C18 C23 C22 -170.6(3) . . . . ?
P2 C18 C19 C20 171.1(3) . . . . ?
P3 C24 C29 C2 172.7(4) . . . . ?
P3 C24 C10 C26 -173.2(3) . . . . ?
P3 C28 C32 C11 177.8(3) . . . . ?
P3 C28 C37 C31 -177.8(3) . . . . ?
C9 C8 C7 C6 0.0 . . . . ?
C8 C9 C4 P2 179.0(3) . . . . ?
C8 C9 C4 C5 0.0 . . . . ?
C8 C7 C6 C5 0.0 . . . . ?
C7 C6 C5 C4 0.0 . . . . ?
C6 C5 C4 P2 -178.9(3) . . . . ?
C6 C5 C4 C9 0.0 . . . . ?
C4 P2 C12 C17 -115.2(3) . . . . ?
C4 P2 C12 C13 70.5(3) . . . . ?
C4 P2 C18 C23 -15.8(3) . . . . ?
C4 P2 C18 C19 173.3(2) . . . . ?
C4 C9 C8 C7 0.0 . . . . ?
C12 P2 C4 C9 158.1(2) . . . . ?
C12 P2 C4 C5 -22.9(3) . . . . ?
C12 P2 C18 C23 95.7(3) . . . . ?
C12 P2 C18 C19 -75.1(3) . . . . ?
C12 C17 C16 C15 0.0 . . . . ?
C17 C12 C13 C14 0.0 . . . . ?
C17 C16 C15 C14 0.0 . . . . ?
C16 C15 C14 C13 0.0 . . . . ?
C15 C14 C13 C12 0.0 . . . . ?
C13 C12 C17 C16 0.0 . . . . ?
C18 P2 C4 C9 -95.5(3) . . . . ?
C18 P2 C4 C5 83.4(3) . . . . ?
C18 P2 C12 C17 135.8(3) . . . . ?
C18 P2 C12 C13 -38.5(3) . . . . ?
C18 C23 C22 C3 0.0 . . . . ?
C23 C18 C19 C20 0.0 . . . . ?
C23 C22 C3 C20 0.0 . . . . ?
C22 C3 C20 C19 0.0 . . . . ?
C3 C20 C19 C18 0.0 . . . . ?
C19 C18 C23 C22 0.0 . . . . ?
C21 C33 C30 C34 0.0 . . . . ?
C33 C21 C25 P3 172.4(3) . . . . ?
C33 C21 C25 C36 0.0 . . . . ?
C33 C30 C34 C36 0.0 . . . . ?
C30 C34 C36 C25 0.0 . . . . ?
C34 C36 C25 P3 -172.4(3) . . . . ?
C34 C36 C25 C21 0.0 . . . . ?
C25 P3 C24 C29 11.7(3) . . . . ?
C25 P3 C24 C10 -175.3(2) . . . . ?
C25 P3 C28 C32 -76.1(3) . . . . ?
C25 P3 C28 C37 101.7(3) . . . . ?
C25 C21 C33 C30 0.0 . . . . ?
C24 P3 C25 C21 61.3(3) . . . . ?
C24 P3 C25 C36 -126.3(2) . . . . ?
C24 P3 C28 C32 37.2(3) . . . . ?
C24 P3 C28 C37 -145.0(3) . . . . ?
C24 C29 C2 C27 0.0 . . . . ?
C29 C24 C10 C26 0.0 . . . . ?
C29 C2 C27 C26 0.0 . . . . ?
C2 C27 C26 C10 0.0 . . . . ?
C27 C26 C10 C24 0.0 . . . . ?
C10 C24 C29 C2 0.0 . . . . ?
C28 P3 C25 C21 169.3(2) . . . . ?
C28 P3 C25 C36 -18.3(3) . . . . ?
C28 P3 C24 C29 -97.8(3) . . . . ?
C28 P3 C24 C10 75.2(3) . . . . ?
C28 C32 C11 C35 0.0 . . . . ?
C32 C28 C37 C31 0.0 . . . . ?
C32 C11 C35 C31 0.0 . . . . ?
C11 C35 C31 C37 0.0 . . . . ?
C35 C31 C37 C28 0.0 . . . . ?
C37 C28 C32 C11 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.810
_oxdiff_exptl_absorpt_empirical_full_min 0.513
