# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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. 
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data_helphos-S-Ph-AuCl
_database_code_depnum_ccdc_archive 'CCDC 1063854'
_audit_update_record             
;
2015-05-07 deposited with the CCDC.
2016-08-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H62 Au Cl P S3'
_chemical_formula_sum            'C60 H62 Au Cl P S3'
_chemical_formula_weight         1142.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   9.8334(14)
_cell_length_b                   21.319(3)
_cell_length_c                   12.7266(18)
_cell_angle_alpha                90
_cell_angle_beta                 95.590(7)
_cell_angle_gamma                90
_cell_volume                     2655.3(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    568
_cell_measurement_theta_min      6.8
_cell_measurement_theta_max      51.0

_exptl_crystal_description       'elongated platelet'
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_F_000             1162
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    7.334
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  0.60
_exptl_absorpt_correction_T_min  0.20
_exptl_absorpt_process_details   'Fs_process (Rigaku)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_specimen_support Fiber
_diffrn_detector                 'Curved IP Rapid2'
_diffrn_measurement_device       
;
Crystal Goniometer
;
_diffrn_measurement_device_type  
;
Rigaku RAXIS conversion
;
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_reflns_number            13030
_diffrn_reflns_av_unetI/netI     0.2752
_diffrn_reflns_av_R_equivalents  0.1240
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.490
_diffrn_reflns_theta_max         66.574
_diffrn_reflns_theta_full        66.574
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.753
_diffrn_reflns_point_group_measured_fraction_full 0.753
_reflns_number_total             7065
_reflns_number_gt                2610
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.504
_reflns_Friedel_fraction_max     0.520
_reflns_Friedel_fraction_full    0.520

_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       
;
CrystalClear-SM Expert 2.0 r8 (Rigaku, 2011)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.0 r8 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r8 (Rigaku, 2011)
;
_computing_structure_solution    'SHELXD-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0881P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 661 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         7062
_refine_ls_number_parameters     601
_refine_ls_number_restraints     578
_refine_ls_R_factor_all          0.2175
_refine_ls_R_factor_gt           0.0837
_refine_ls_wR_factor_ref         0.2576
_refine_ls_wR_factor_gt          0.1848
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_restrained_S_all      0.925
_refine_ls_shift/su_max          0.000
_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 0.77656(13) 0.59166(10) 0.36292(9) 0.0924(6) Uani 1 1 d . U . . .
Cl1 Cl 0.9953(9) 0.5639(5) 0.4140(7) 0.113(4) Uani 1 1 d . U . . .
S1 S 0.3715(9) 0.7063(4) -0.2764(7) 0.091(3) Uani 1 1 d . U . . .
P1 P 0.5595(8) 0.6169(4) 0.3268(6) 0.074(3) Uani 1 1 d . U . . .
C1 C 0.434(3) 0.5602(13) 0.367(2) 0.073(7) Uani 1 1 d . U . . .
S2 S 0.9185(10) 0.7776(4) -0.0273(7) 0.093(3) Uani 1 1 d . U . . .
C2 C 0.363(3) 0.5389(16) 0.288(2) 0.089(10) Uani 1 1 d . U . . .
H2 H 0.3005 0.5070 0.2961 0.107 Uiso 1 1 calc R U . . .
S3 S 0.8779(10) 0.5083(5) 0.1399(8) 0.097(3) Uani 1 1 d . U . . .
C3 C 0.378(3) 0.5629(13) 0.189(2) 0.068(7) Uani 1 1 d . U . . .
C4 C 0.483(3) 0.6078(14) 0.189(2) 0.070(7) Uani 1 1 d . U . . .
C5 C 0.507(3) 0.6360(14) 0.098(2) 0.077(8) Uani 1 1 d . U . . .
H5 H 0.5757 0.6661 0.0986 0.092 Uiso 1 1 calc R U . . .
C6 C 0.431(3) 0.6207(13) 0.001(2) 0.069(7) Uani 1 1 d . U . . .
C7 C 0.313(3) 0.5810(16) 0.000(2) 0.073(7) Uani 1 1 d . U . . .
C8 C 0.297(3) 0.5499(15) 0.096(2) 0.076(8) Uani 1 1 d . U . . .
H8 H 0.2302 0.5193 0.0972 0.091 Uiso 1 1 calc R U . . .
C9 C 0.222(3) 0.5746(13) -0.094(2) 0.068(7) Uani 1 1 d . U . . .
C10 C 0.229(3) 0.6095(15) -0.182(2) 0.082(8) Uani 1 1 d . U . . .
C11 C 0.350(3) 0.6497(13) -0.180(2) 0.061(6) Uani 1 1 d . U . . .
C12 C 0.451(3) 0.6546(14) -0.097(2) 0.074(7) Uani 1 1 d . U . . .
C13 C 0.567(3) 0.6920(15) -0.123(2) 0.077(7) Uani 1 1 d . U . . .
C14 C 0.707(4) 0.7060(17) -0.073(3) 0.088(8) Uani 1 1 d . U . . .
C15 C 0.761(3) 0.7639(17) -0.111(3) 0.090(9) Uani 1 1 d . U . . .
C16 C 0.713(4) 0.8057(18) -0.186(3) 0.091(8) Uani 1 1 d . U . . .
C17 C 0.599(3) 0.7849(16) -0.240(2) 0.077(7) Uani 1 1 d . U . . .
C18 C 0.531(3) 0.7300(15) -0.205(2) 0.071(7) Uani 1 1 d . U . . .
C19 C 0.795(3) 0.6700(17) 0.001(2) 0.070(7) Uani 1 1 d . U . . .
C20 C 0.913(3) 0.7066(15) 0.032(2) 0.081(7) Uani 1 1 d . U . . .
C21 C 1.011(4) 0.6852(18) 0.119(3) 0.107(11) Uani 1 1 d . U . . .
H21 H 1.0795 0.7124 0.1474 0.128 Uiso 1 1 calc R U . . .
C22 C 1.004(3) 0.6249(15) 0.160(3) 0.089(8) Uani 1 1 d . U . . .
H22 H 1.0669 0.6103 0.2141 0.107 Uiso 1 1 calc R U . . .
C23 C 0.894(3) 0.586(2) 0.113(2) 0.082(7) Uani 1 1 d . U . . .
C24 C 0.796(3) 0.6044(17) 0.031(2) 0.073(6) Uani 1 1 d . U . . .
C25 C 0.721(3) 0.5537(17) 0.001(3) 0.082(8) Uani 1 1 d . U . . .
H25 H 0.6477 0.5591 -0.0503 0.098 Uiso 1 1 calc R U . . .
C26 C 0.743(3) 0.4988(18) 0.038(3) 0.082(8) Uani 1 1 d . U . . .
C27 C 0.684(3) 0.4350(16) 0.027(2) 0.074(7) Uani 1 1 d . U . . .
C28 C 0.756(4) 0.3804(17) 0.044(3) 0.106(11) Uani 1 1 d . U . . .
H28 H 0.8471 0.3821 0.0696 0.127 Uiso 1 1 calc R U . . .
C29 C 0.693(3) 0.3208(17) 0.022(3) 0.091(9) Uani 1 1 d . U . . .
H29 H 0.7406 0.2831 0.0316 0.109 Uiso 1 1 calc R U . . .
C30 C 0.555(3) 0.3242(18) -0.015(2) 0.084(9) Uani 1 1 d . U . . .
H30 H 0.5113 0.2864 -0.0322 0.101 Uiso 1 1 calc R U . . .
C31 C 0.482(4) 0.3753(19) -0.029(3) 0.109(12) Uani 1 1 d . U . . .
H31 H 0.3880 0.3723 -0.0476 0.131 Uiso 1 1 calc R U . . .
C32 C 0.541(3) 0.4324(17) -0.015(3) 0.093(10) Uani 1 1 d . U . . .
H32 H 0.4921 0.4689 -0.0330 0.111 Uiso 1 1 calc R U . . .
C33 C 0.447(3) 0.5390(16) 0.479(2) 0.082(9) Uani 1 1 d . U . . .
C34 C 0.544(4) 0.5579(18) 0.560(2) 0.121(14) Uani 1 1 d . U . . .
H34 H 0.6142 0.5843 0.5438 0.145 Uiso 1 1 calc R U . . .
C35 C 0.540(4) 0.539(2) 0.666(3) 0.117(14) Uani 1 1 d . U . . .
H35 H 0.6080 0.5548 0.7139 0.140 Uiso 1 1 calc R U . . .
C36 C 0.454(4) 0.5021(19) 0.703(3) 0.110(13) Uani 1 1 d . U . . .
H36 H 0.4560 0.4897 0.7733 0.132 Uiso 1 1 calc R U . . .
C37 C 0.361(4) 0.485(2) 0.626(3) 0.141(16) Uani 1 1 d . U . . .
H37 H 0.2958 0.4571 0.6469 0.169 Uiso 1 1 calc R U . . .
C38 C 0.344(4) 0.4998(17) 0.517(3) 0.110(12) Uani 1 1 d . U . . .
H38 H 0.2699 0.4852 0.4729 0.132 Uiso 1 1 calc R U . . .
C39 C 0.095(3) 0.5313(14) -0.089(2) 0.081(8) Uani 1 1 d . U . . .
H39A H 0.0715 0.5284 -0.0172 0.097 Uiso 1 1 calc R U . . .
H39B H 0.0175 0.5492 -0.1321 0.097 Uiso 1 1 calc R U . . .
C40 C 0.125(4) 0.4653(16) -0.130(3) 0.101(11) Uani 1 1 d . U . . .
H40A H 0.1654 0.4690 -0.1968 0.121 Uiso 1 1 calc R U . . .
H40B H 0.1910 0.4447 -0.0803 0.121 Uiso 1 1 calc R U . . .
C41 C 0.000(4) 0.4261(17) -0.147(3) 0.125(13) Uani 1 1 d . U . . .
H41A H -0.0571 0.4411 -0.2071 0.187 Uiso 1 1 calc R U . . .
H41B H -0.0497 0.4287 -0.0853 0.187 Uiso 1 1 calc R U . . .
H41C H 0.0246 0.3833 -0.1580 0.187 Uiso 1 1 calc R U . . .
C42 C 0.126(3) 0.6156(14) -0.277(2) 0.083(8) Uani 1 1 d . U . . .
H42A H 0.0911 0.5745 -0.2987 0.099 Uiso 1 1 calc R U . . .
H42B H 0.1691 0.6337 -0.3355 0.099 Uiso 1 1 calc R U . . .
C43 C 0.006(3) 0.6582(16) -0.250(3) 0.097(10) Uani 1 1 d . U . . .
H43A H -0.0272 0.6446 -0.1846 0.117 Uiso 1 1 calc R U . . .
H43B H 0.0367 0.7012 -0.2417 0.117 Uiso 1 1 calc R U . . .
C44 C -0.108(3) 0.6543(18) -0.338(3) 0.122(14) Uani 1 1 d . U . . .
H44A H -0.1181 0.6942 -0.3731 0.183 Uiso 1 1 calc R U . . .
H44B H -0.1915 0.6435 -0.3095 0.183 Uiso 1 1 calc R U . . .
H44C H -0.0864 0.6228 -0.3878 0.183 Uiso 1 1 calc R U . . .
C45 C 0.530(3) 0.8221(15) -0.337(2) 0.099(9) Uani 1 1 d D U . . .
H45A H 0.4829 0.7933 -0.3876 0.118 Uiso 1 1 calc R U . . .
H45B H 0.5991 0.8441 -0.3726 0.118 Uiso 1 1 calc R U . . .
C46 C 0.424(3) 0.8711(15) -0.298(2) 0.101(11) Uani 1 1 d D U . . .
H46A H 0.3590 0.8484 -0.2591 0.122 Uiso 1 1 calc R U . . .
H46B H 0.4732 0.8997 -0.2483 0.122 Uiso 1 1 calc R U . . .
C47 C 0.346(3) 0.9086(16) -0.382(3) 0.111(12) Uani 1 1 d D U . . .
H47A H 0.3684 0.8944 -0.4495 0.167 Uiso 1 1 calc R U . . .
H47B H 0.3704 0.9521 -0.3729 0.167 Uiso 1 1 calc R U . . .
H47C H 0.2501 0.9036 -0.3768 0.167 Uiso 1 1 calc R U . . .
C48 C 0.795(4) 0.8610(17) -0.210(3) 0.114(10) Uani 1 1 d D U . . .
H48A H 0.8465 0.8758 -0.1457 0.137 Uiso 1 1 calc R U . . .
H48B H 0.7350 0.8945 -0.2372 0.137 Uiso 1 1 calc R U . . .
C49 C 0.899(5) 0.843(2) -0.296(4) 0.178(19) Uani 1 1 d D U . . .
H49A H 0.9732 0.8191 -0.2593 0.214 Uiso 1 1 calc R U . . .
H49B H 0.8505 0.8144 -0.3462 0.214 Uiso 1 1 calc R U . . .
C50 C 0.958(7) 0.891(3) -0.355(5) 0.30(4) Uani 1 1 d D U . . .
H50A H 0.9365 0.9331 -0.3435 0.356 Uiso 1 1 calc R U . . .
H50B H 1.0176 0.8809 -0.4045 0.356 Uiso 1 1 calc R U . . .
C51 C 0.496(3) 0.6928(14) 0.369(2) 0.075(6) Uani 1 1 d . U . . .
H51 H 0.5312 0.6982 0.4428 0.091 Uiso 1 1 calc R U . . .
C52 C 0.339(3) 0.6923(16) 0.366(3) 0.093(8) Uani 1 1 d . U . . .
H52A H 0.2992 0.6836 0.2948 0.112 Uiso 1 1 calc R U . . .
H52B H 0.3108 0.6596 0.4121 0.112 Uiso 1 1 calc R U . . .
C53 C 0.290(3) 0.7547(17) 0.401(3) 0.107(9) Uani 1 1 d . U . . .
H53 H 0.3312 0.7629 0.4733 0.128 Uiso 1 1 calc R U . . .
C54 C 0.332(3) 0.8078(17) 0.328(3) 0.102(9) Uani 1 1 d . U . . .
H54A H 0.2960 0.7998 0.2560 0.122 Uiso 1 1 calc R U . . .
H54B H 0.2971 0.8477 0.3501 0.122 Uiso 1 1 calc R U . . .
C55 C 0.487(3) 0.8095(16) 0.336(3) 0.098(9) Uani 1 1 d . U . . .
H55A H 0.5146 0.8430 0.2916 0.117 Uiso 1 1 calc R U . . .
H55B H 0.5204 0.8196 0.4085 0.117 Uiso 1 1 calc R U . . .
C56 C 0.553(3) 0.7497(16) 0.306(3) 0.087(7) Uani 1 1 d . U . . .
H56 H 0.5241 0.7427 0.2307 0.105 Uiso 1 1 calc R U . . .
C57 C 0.706(4) 0.7544(19) 0.317(3) 0.100(8) Uani 1 1 d . U . . .
H57 H 0.7408 0.7135 0.2967 0.120 Uiso 1 1 calc R U . . .
C58 C 0.769(4) 0.767(2) 0.429(3) 0.125(13) Uani 1 1 d . U . . .
H58A H 0.7679 0.8112 0.4425 0.187 Uiso 1 1 calc R U . . .
H58B H 0.8615 0.7520 0.4366 0.187 Uiso 1 1 calc R U . . .
H58C H 0.7170 0.7455 0.4778 0.187 Uiso 1 1 calc R U . . .
C59 C 0.752(3) 0.8027(17) 0.235(3) 0.112(11) Uani 1 1 d . U . . .
H59A H 0.8489 0.7990 0.2315 0.168 Uiso 1 1 calc R U . . .
H59B H 0.7313 0.8443 0.2575 0.168 Uiso 1 1 calc R U . . .
H59C H 0.7048 0.7944 0.1674 0.168 Uiso 1 1 calc R U . . .
C60 C 0.128(3) 0.7534(17) 0.401(3) 0.115(12) Uani 1 1 d . U . . .
H60A H 0.0862 0.7689 0.3349 0.173 Uiso 1 1 calc R U . . .
H60B H 0.1012 0.7794 0.4574 0.173 Uiso 1 1 calc R U . . .
H60C H 0.0981 0.7111 0.4114 0.173 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.206(8) . ?
Au1 Cl1 2.264(9) . ?
S1 C11 1.74(3) . ?
S1 C18 1.80(3) . ?
P1 C1 1.83(3) . ?
P1 C51 1.83(3) . ?
P1 C4 1.85(3) . ?
C1 C2 1.25(4) . ?
C1 C33 1.50(4) . ?
S2 C20 1.70(3) . ?
S2 C15 1.82(3) . ?
C2 C3 1.38(4) . ?
S3 C23 1.70(4) . ?
S3 C26 1.78(3) . ?
C3 C8 1.39(4) . ?
C3 C4 1.40(3) . ?
C4 C5 1.35(3) . ?
C5 C6 1.41(4) . ?
C6 C7 1.44(4) . ?
C6 C12 1.46(4) . ?
C7 C8 1.41(4) . ?
C7 C9 1.43(3) . ?
C9 C10 1.35(4) . ?
C9 C39 1.56(4) . ?
C10 C11 1.46(4) . ?
C10 C42 1.51(4) . ?
C11 C12 1.39(4) . ?
C12 C13 1.46(4) . ?
C13 C18 1.34(4) . ?
C13 C14 1.49(4) . ?
C14 C19 1.44(4) . ?
C14 C15 1.45(4) . ?
C15 C16 1.36(4) . ?
C16 C17 1.34(4) . ?
C16 C48 1.47(4) . ?
C17 C18 1.44(4) . ?
C17 C45 1.57(4) . ?
C19 C20 1.42(4) . ?
C19 C24 1.45(4) . ?
C20 C21 1.47(4) . ?
C21 C22 1.39(4) . ?
C22 C23 1.45(4) . ?
C23 C24 1.41(4) . ?
C24 C25 1.34(4) . ?
C25 C26 1.27(4) . ?
C26 C27 1.48(4) . ?
C27 C28 1.36(4) . ?
C27 C32 1.46(4) . ?
C28 C29 1.42(4) . ?
C29 C30 1.40(4) . ?
C30 C31 1.31(4) . ?
C31 C32 1.35(4) . ?
C33 C34 1.39(4) . ?
C33 C38 1.43(4) . ?
C34 C35 1.41(4) . ?
C35 C36 1.28(4) . ?
C36 C37 1.33(5) . ?
C37 C38 1.41(4) . ?
C39 C40 1.54(4) . ?
C40 C41 1.49(4) . ?
C42 C43 1.55(4) . ?
C43 C44 1.50(4) . ?
C45 C46 1.59(3) . ?
C46 C47 1.486(12) . ?
C48 C49 1.61(4) . ?
C49 C50 1.44(3) . ?
C51 C52 1.54(4) . ?
C51 C56 1.59(4) . ?
C52 C53 1.50(4) . ?
C53 C54 1.55(4) . ?
C53 C60 1.60(4) . ?
C54 C55 1.51(4) . ?
C55 C56 1.50(4) . ?
C56 C57 1.51(4) . ?
C57 C58 1.52(5) . ?
C57 C59 1.56(4) . ?

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 Cl1 175.2(3) . . ?
C11 S1 C18 90.0(15) . . ?
C1 P1 C51 104.0(12) . . ?
C1 P1 C4 88.2(14) . . ?
C51 P1 C4 104.4(13) . . ?
C1 P1 Au1 116.4(10) . . ?
C51 P1 Au1 120.4(10) . . ?
C4 P1 Au1 118.0(9) . . ?
C2 C1 C33 130(3) . . ?
C2 C1 P1 111(3) . . ?
C33 C1 P1 118(3) . . ?
C20 S2 C15 93.0(17) . . ?
C1 C2 C3 120(4) . . ?
C23 S3 C26 92.4(17) . . ?
C2 C3 C8 127(3) . . ?
C2 C3 C4 113(3) . . ?
C8 C3 C4 120(3) . . ?
C5 C4 C3 120(3) . . ?
C5 C4 P1 133(3) . . ?
C3 C4 P1 108(2) . . ?
C4 C5 C6 122(3) . . ?
C5 C6 C7 120(3) . . ?
C5 C6 C12 122(3) . . ?
C7 C6 C12 117(3) . . ?
C8 C7 C9 125(3) . . ?
C8 C7 C6 115(3) . . ?
C9 C7 C6 120(3) . . ?
C3 C8 C7 123(3) . . ?
C10 C9 C7 124(3) . . ?
C10 C9 C39 117(3) . . ?
C7 C9 C39 118(3) . . ?
C9 C10 C11 115(3) . . ?
C9 C10 C42 129(3) . . ?
C11 C10 C42 116(3) . . ?
C12 C11 C10 125(3) . . ?
C12 C11 S1 111(2) . . ?
C10 C11 S1 123(2) . . ?
C11 C12 C13 112(3) . . ?
C11 C12 C6 118(3) . . ?
C13 C12 C6 130(3) . . ?
C18 C13 C12 111(3) . . ?
C18 C13 C14 112(3) . . ?
C12 C13 C14 136(3) . . ?
C19 C14 C15 117(3) . . ?
C19 C14 C13 131(3) . . ?
C15 C14 C13 112(3) . . ?
C16 C15 C14 133(4) . . ?
C16 C15 S2 121(3) . . ?
C14 C15 S2 105(2) . . ?
C17 C16 C15 111(4) . . ?
C17 C16 C48 127(3) . . ?
C15 C16 C48 121(3) . . ?
C16 C17 C18 120(3) . . ?
C16 C17 C45 121(3) . . ?
C18 C17 C45 119(3) . . ?
C13 C18 C17 130(3) . . ?
C13 C18 S1 112(3) . . ?
C17 C18 S1 119(2) . . ?
C20 C19 C14 108(3) . . ?
C20 C19 C24 118(3) . . ?
C14 C19 C24 132(3) . . ?
C19 C20 C21 120(3) . . ?
C19 C20 S2 115(3) . . ?
C21 C20 S2 124(3) . . ?
C22 C21 C20 121(3) . . ?
C21 C22 C23 116(3) . . ?
C24 C23 C22 125(4) . . ?
C24 C23 S3 111(3) . . ?
C22 C23 S3 124(3) . . ?
C25 C24 C23 108(3) . . ?
C25 C24 C19 136(3) . . ?
C23 C24 C19 117(3) . . ?
C26 C25 C24 125(4) . . ?
C25 C26 C27 140(4) . . ?
C25 C26 S3 105(3) . . ?
C27 C26 S3 115(2) . . ?
C28 C27 C32 119(3) . . ?
C28 C27 C26 126(3) . . ?
C32 C27 C26 115(3) . . ?
C27 C28 C29 122(3) . . ?
C30 C29 C28 114(3) . . ?
C31 C30 C29 127(4) . . ?
C30 C31 C32 120(4) . . ?
C31 C32 C27 118(3) . . ?
C34 C33 C38 112(3) . . ?
C34 C33 C1 128(3) . . ?
C38 C33 C1 120(3) . . ?
C33 C34 C35 123(3) . . ?
C36 C35 C34 128(4) . . ?
C35 C36 C37 109(4) . . ?
C36 C37 C38 132(4) . . ?
C37 C38 C33 116(3) . . ?
C40 C39 C9 110(2) . . ?
C41 C40 C39 112(3) . . ?
C10 C42 C43 110(2) . . ?
C44 C43 C42 109(3) . . ?
C17 C45 C46 109(2) . . ?
C47 C46 C45 115(3) . . ?
C16 C48 C49 110(3) . . ?
C50 C49 C48 120(4) . . ?
C52 C51 C56 113(3) . . ?
C52 C51 P1 111(2) . . ?
C56 C51 P1 112(2) . . ?
C53 C52 C51 110(3) . . ?
C52 C53 C54 111(3) . . ?
C52 C53 C60 110(3) . . ?
C54 C53 C60 110(3) . . ?
C55 C54 C53 108(3) . . ?
C56 C55 C54 115(3) . . ?
C55 C56 C57 112(3) . . ?
C55 C56 C51 110(3) . . ?
C57 C56 C51 114(3) . . ?
C56 C57 C58 114(3) . . ?
C56 C57 C59 109(3) . . ?
C58 C57 C59 113(3) . . ?

_refine_diff_density_max         1.137
_refine_diff_density_min         -1.244
_refine_diff_density_rms         0.120

