# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 1995587'
loop_
_audit_author_name
_audit_author_address
'Jesus A Miguel'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2020-04-08 deposited with the CCDC.	2020-05-15 downloaded from the CCDC.
;
_audit_creation_date             2019-04-08
_audit_creation_method           
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H16 Au F5 N P S'
_chemical_formula_sum            'C24 H16 Au F5 N P S'
_chemical_formula_weight         673.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C25 H16 Au F5 N P S'
_chemical_oxdiff_usercomment     colourless
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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.2818(5)
_cell_length_b                   12.6786(5)
_cell_length_c                   15.1093(6)
_cell_angle_alpha                90
_cell_angle_beta                 104.371(4)
_cell_angle_gamma                90
_cell_volume                     2279.14(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4110
_cell_measurement_temperature    293
_cell_measurement_theta_max      24.0530
_cell_measurement_theta_min      3.7250
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.670
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.313
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.962
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-14 1 16 0.0656
-1 18 -3 0.1837
2 -18 3 0.1935
-12 1 -12 0.0604
12 -1 12 0.0318
12 -1 -19 0.0311
-5 0 -18 0.0515

_exptl_crystal_size_max          0.412
_exptl_crystal_size_mid          0.106
_exptl_crystal_size_min          0.092
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-14.0050 1.0040 16.0153 0.5546 -0.8188 0.0564
-1.0000 17.9971 -2.9945 -0.0068 0.0518 1.0198
2.0007 -17.9971 2.9933 0.0225 0.0051 -1.0281
-12.0118 0.9975 -11.9826 -0.7546 -0.6569 0.2415
12.0118 -0.9975 11.9826 0.7546 0.6569 -0.2415
12.0028 -1.0046 -19.0123 -0.7297 0.7101 -0.0181
-5.0088 -0.0040 -17.9907 -0.9404 -0.2538 0.1714

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.866
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13272
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.866
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.469
_diffrn_reflns_theta_min         3.425
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.866
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -2.00  30.00   1.00   10.65    --  -10.64 -99.00 -90.00   32
  2  ω    -30.00  48.00   1.00   10.65    --  -10.64  19.00-180.00   78
  3  ω    -83.00  30.00   1.00   10.65    --  -10.64 -19.00 -30.00  113
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0157592000
_diffrn_orient_matrix_UB_12      0.0084645000
_diffrn_orient_matrix_UB_13      0.0478806000
_diffrn_orient_matrix_UB_21      0.0568951000
_diffrn_orient_matrix_UB_22      0.0057528000
_diffrn_orient_matrix_UB_23      -0.0017341000
_diffrn_orient_matrix_UB_31      -0.0083364000
_diffrn_orient_matrix_UB_32      0.0550006000
_diffrn_orient_matrix_UB_33      -0.0072160000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3608
_reflns_number_total             5479
_reflns_odcompleteness_completeness 99.71
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_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         0.865
_refine_diff_density_min         -0.974
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5479
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0254P)²+1.5513P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0849
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
2.a Rotating group:
 N1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C17(H17),
 C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
;
_atom_sites_solution_hydrogens   mixed
_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 0.59437(2) 0.38633(2) 0.28283(2) 0.05773(10) Uani 1 1 d . . . . .
C1 C 0.5567(5) 0.3714(4) 0.4048(4) 0.0502(13) Uani 1 1 d . . . . .
C2 C 0.6357(5) 0.3853(5) 0.4876(5) 0.0658(16) Uani 1 1 d . . . . .
C3 C 0.6131(6) 0.3791(5) 0.5715(4) 0.0708(18) Uani 1 1 d . . . . .
C4 C 0.5067(7) 0.3569(5) 0.5761(5) 0.0707(18) Uani 1 1 d . . . . .
C5 C 0.4247(6) 0.3415(5) 0.4978(5) 0.0729(17) Uani 1 1 d . . . . .
C6 C 0.4520(5) 0.3476(5) 0.4153(4) 0.0625(15) Uani 1 1 d . . . . .
C7 C 0.7412(4) 0.5551(4) 0.0348(4) 0.0511(13) Uani 1 1 d . . . . .
C8 C 0.8216(5) 0.4860(5) 0.0165(4) 0.0637(16) Uani 1 1 d . . . . .
C9 C 0.8524(6) 0.4959(6) -0.0662(5) 0.087(2) Uani 1 1 d . . . . .
H9 H 0.9062 0.4509 -0.0792 0.104 Uiso 1 1 calc R . . . .
C10 C 0.8036(7) 0.5720(8) -0.1287(6) 0.101(3) Uani 1 1 d . . . . .
H10 H 0.8263 0.5793 -0.1827 0.121 Uiso 1 1 calc R . . . .
C11 C 0.7220(7) 0.6368(6) -0.1118(5) 0.088(2) Uani 1 1 d . . . . .
H11 H 0.6871 0.6856 -0.1556 0.105 Uiso 1 1 calc R . . . .
C12 C 0.6914(5) 0.6302(5) -0.0311(4) 0.0648(16) Uani 1 1 d . . . . .
H12 H 0.6372 0.6758 -0.0197 0.078 Uiso 1 1 calc R . . . .
C13 C 0.8149(4) 0.5794(4) 0.2336(4) 0.0501(13) Uani 1 1 d . . . . .
C14 C 0.7980(6) 0.5836(5) 0.3213(4) 0.0707(17) Uani 1 1 d . . . . .
H14 H 0.7270 0.5713 0.3304 0.085 Uiso 1 1 calc R . . . .
C15 C 0.8878(6) 0.6064(5) 0.3953(5) 0.082(2) Uani 1 1 d . . . . .
H15 H 0.8774 0.6095 0.4541 0.098 Uiso 1 1 calc R . . . .
C16 C 0.9919(6) 0.6241(5) 0.3802(6) 0.085(2) Uani 1 1 d . . . . .
H16 H 1.0523 0.6376 0.4297 0.102 Uiso 1 1 calc R . . . .
C17 C 1.0089(6) 0.6224(5) 0.2952(6) 0.084(2) Uani 1 1 d . . . . .
H17 H 1.0801 0.6353 0.2867 0.100 Uiso 1 1 calc R . . . .
C18 C 0.9192(5) 0.6010(4) 0.2202(4) 0.0647(17) Uani 1 1 d . . . . .
H18 H 0.9300 0.6015 0.1615 0.078 Uiso 1 1 calc R . . . .
C19 C 0.5914(4) 0.6433(4) 0.1399(3) 0.0457(12) Uani 1 1 d . . . . .
C20 C 0.4796(5) 0.6173(5) 0.1215(4) 0.0608(15) Uani 1 1 d . . . . .
H20 H 0.4570 0.5480 0.1074 0.073 Uiso 1 1 calc R . . . .
C21 C 0.4004(5) 0.6941(6) 0.1239(5) 0.082(2) Uani 1 1 d . . . . .
H21 H 0.3247 0.6763 0.1120 0.098 Uiso 1 1 calc R . . . .
C22 C 0.4330(6) 0.7962(5) 0.1435(4) 0.0720(18) Uani 1 1 d . . . . .
H22 H 0.3793 0.8473 0.1453 0.086 Uiso 1 1 calc R . . . .
C23 C 0.5429(6) 0.8240(5) 0.1605(5) 0.0740(18) Uani 1 1 d . . . . .
H23 H 0.5642 0.8939 0.1728 0.089 Uiso 1 1 calc R . . . .
C24 C 0.6236(5) 0.7473(5) 0.1595(4) 0.0658(17) Uani 1 1 d . . . . .
H24 H 0.6991 0.7657 0.1720 0.079 Uiso 1 1 calc R . . . .
F2 F 0.7427(3) 0.4098(4) 0.4849(3) 0.1168(16) Uani 1 1 d . . . . .
F3 F 0.6948(4) 0.3957(4) 0.6474(3) 0.1182(16) Uani 1 1 d . . . . .
F4 F 0.4822(4) 0.3498(4) 0.6577(3) 0.1074(14) Uani 1 1 d . . . . .
F5 F 0.3201(4) 0.3219(4) 0.5036(3) 0.1229(16) Uani 1 1 d . . . . .
F6 F 0.3663(3) 0.3314(4) 0.3404(3) 0.1036(13) Uani 1 1 d . . . . .
N1 N 0.8768(5) 0.4104(5) 0.0797(5) 0.098(2) Uani 1 1 d . . . . .
H1A H 0.8289 0.3743 0.1016 0.117 Uiso 1 1 d GR . . . .
H1B H 0.9126 0.3664 0.0527 0.117 Uiso 1 1 d GR . . . .
P1 P 0.69764(12) 0.54562(11) 0.13973(10) 0.0475(3) Uani 1 1 d . . . . .
S1 S 0.63966(13) 0.39639(11) 0.14396(11) 0.0592(4) Uani 1 1 d . . . . .


_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 C1 2.018(6) . ?
Au1 S1 2.3039(16) . ?
C1 C2 1.391(8) . ?
C1 C6 1.368(8) . ?
C2 C3 1.366(9) . ?
C2 F2 1.360(7) . ?
C3 C4 1.356(9) . ?
C3 F3 1.340(7) . ?
C4 C5 1.365(9) . ?
C4 F4 1.342(7) . ?
C5 C6 1.371(8) . ?
C5 F5 1.332(7) . ?
C6 F6 1.356(7) . ?
C7 C8 1.398(8) . ?
C7 C12 1.402(8) . ?
C7 P1 1.799(6) . ?
C8 C9 1.399(9) . ?
C8 N1 1.403(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.377(10) . ?
C10 H10 0.9300 . ?
C10 C11 1.369(11) . ?
C11 H11 0.9300 . ?
C11 C12 1.364(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.392(8) . ?
C13 C18 1.373(7) . ?
C13 P1 1.804(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.391(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.371(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.351(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.397(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.372(7) . ?
C19 C24 1.386(7) . ?
C19 P1 1.800(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.384(8) . ?
C21 H21 0.9300 . ?
C21 C22 1.365(8) . ?
C22 H22 0.9300 . ?
C22 C23 1.356(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.391(8) . ?
C24 H24 0.9300 . ?
N1 H1A 0.8732 . ?
N1 H1B 0.8725 . ?
P1 S1 2.0282(19) . ?

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
C1 Au1 S1 177.71(14) . . ?
C2 C1 Au1 122.8(5) . . ?
C6 C1 Au1 124.2(4) . . ?
C6 C1 C2 113.0(6) . . ?
C3 C2 C1 124.7(6) . . ?
F2 C2 C1 117.8(6) . . ?
F2 C2 C3 117.5(6) . . ?
C4 C3 C2 118.7(6) . . ?
F3 C3 C2 120.3(7) . . ?
F3 C3 C4 121.0(7) . . ?
C3 C4 C5 119.9(6) . . ?
F4 C4 C3 120.0(7) . . ?
F4 C4 C5 120.1(7) . . ?
C4 C5 C6 119.1(6) . . ?
F5 C5 C4 119.0(7) . . ?
F5 C5 C6 121.9(6) . . ?
C1 C6 C5 124.5(6) . . ?
F6 C6 C1 119.7(6) . . ?
F6 C6 C5 115.8(6) . . ?
C8 C7 C12 119.4(5) . . ?
C8 C7 P1 120.7(4) . . ?
C12 C7 P1 119.9(4) . . ?
C7 C8 C9 118.7(6) . . ?
C7 C8 N1 122.7(6) . . ?
C9 C8 N1 118.5(6) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.5(7) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.4(7) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.5(7) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 H12 119.8 . . ?
C11 C12 C7 120.5(6) . . ?
C11 C12 H12 119.8 . . ?
C14 C13 P1 118.6(4) . . ?
C18 C13 C14 119.8(5) . . ?
C18 C13 P1 121.6(5) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.8(7) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 120.5 . . ?
C16 C15 C14 119.1(7) . . ?
C16 C15 H15 120.5 . . ?
C15 C16 H16 119.2 . . ?
C17 C16 C15 121.7(7) . . ?
C17 C16 H16 119.2 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.8(7) . . ?
C18 C17 H17 120.1 . . ?
C13 C18 C17 119.8(7) . . ?
C13 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C24 119.3(5) . . ?
C20 C19 P1 121.6(4) . . ?
C24 C19 P1 119.1(4) . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0(5) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(6) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.8(6) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.6(6) . . ?
C24 C23 H23 120.2 . . ?
C19 C24 C23 120.1(6) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C8 N1 H1A 111.0 . . ?
C8 N1 H1B 109.5 . . ?
H1A N1 H1B 107.9 . . ?
C7 P1 C13 108.8(3) . . ?
C7 P1 C19 109.2(2) . . ?
C7 P1 S1 105.90(18) . . ?
C13 P1 S1 114.49(19) . . ?
C19 P1 C13 105.9(2) . . ?
C19 P1 S1 112.44(18) . . ?
P1 S1 Au1 104.26(7) . . ?

_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 1.087
_oxdiff_exptl_absorpt_empirical_full_min 0.902

####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1995589'
loop_
_audit_author_name
_audit_author_address
'Jesus A Miguel'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2020-04-08 deposited with the CCDC.	2020-05-15 downloaded from the CCDC.
;
_audit_creation_date             2019-04-08
_audit_creation_method           
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H15 Au F5 P S'
_chemical_formula_sum            'C24 H15 Au F5 P S'
_chemical_formula_weight         658.36
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C24 H15 Au F5 P S'
_chemical_oxdiff_usercomment     colourless
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'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.3678(4)
_cell_length_b                   9.2749(5)
_cell_length_c                   16.2849(8)
_cell_angle_alpha                83.944(4)
_cell_angle_beta                 79.946(4)
_cell_angle_gamma                89.716(5)
_cell_volume                     1089.53(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2575
_cell_measurement_temperature    293
_cell_measurement_theta_max      25.1370
_cell_measurement_theta_min      3.5290
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.973
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.239
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.007
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             628
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
10 -5 0 0.0930
-9 5 1 0.0942
0 -2 -23 0.1173
0 2 23 0.1070
-1 -13 0 0.0236
0 13 0 0.0429

_exptl_crystal_size_max          0.273
_exptl_crystal_size_mid          0.224
_exptl_crystal_size_min          0.075
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
9.9955 -4.9921 -0.0044 0.7899 -0.6263 -0.2761
-8.9960 4.9927 1.0032 -0.7525 0.5593 0.2119
0.0004 -1.9946 -22.9845 0.3394 -0.2803 0.9176
-0.0004 1.9946 22.9845 -0.3394 0.2803 -0.9176
-0.9993 -13.0019 0.0029 0.7999 0.6048 -0.0813
-0.0002 13.0011 -0.0023 -0.8464 -0.5221 0.1049

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0761
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.817
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8331
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.817
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.694
_diffrn_reflns_theta_min         3.451
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.817
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -55.00  34.00   1.00    2.38    --   12.20 -57.00 -90.00   89
  2  ω    -13.00  75.00   1.00    2.38    --   12.20  77.00-180.00   88
  3  ω    -16.00  84.00   1.00    2.38    --   12.20  57.00  60.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0465034000
_diffrn_orient_matrix_UB_12      -0.0651007000
_diffrn_orient_matrix_UB_13      -0.0091144000
_diffrn_orient_matrix_UB_21      -0.0827098000
_diffrn_orient_matrix_UB_22      -0.0401546000
_diffrn_orient_matrix_UB_23      0.0156781000
_diffrn_orient_matrix_UB_31      -0.0236129000
_diffrn_orient_matrix_UB_32      0.0080602000
_diffrn_orient_matrix_UB_33      -0.0406226000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3808
_reflns_number_total             5059
_reflns_odcompleteness_completeness 99.80
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_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         0.791
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5059
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0423
_refine_ls_restrained_S_all      0.994
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0148P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0630
_refine_ls_wR_factor_ref         0.0742
_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:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
;
_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 0.66946(3) 0.42061(3) 0.75816(2) 0.04644(9) Uani 1 1 d . . . . .
C1 C 0.6995(7) 0.5030(7) 0.8654(3) 0.0418(15) Uani 1 1 d . . . . .
C2 C 0.7337(8) 0.4182(7) 0.9355(4) 0.0504(17) Uani 1 1 d . . . . .
C3 C 0.7551(9) 0.4721(8) 1.0075(4) 0.0541(18) Uani 1 1 d . . . . .
C4 C 0.7450(8) 0.6176(8) 1.0129(4) 0.0528(17) Uani 1 1 d . . . . .
C5 C 0.7095(9) 0.7066(7) 0.9451(4) 0.0502(16) Uani 1 1 d . . . . .
C6 C 0.6881(8) 0.6493(7) 0.8738(3) 0.0449(15) Uani 1 1 d . . . . .
C7 C 0.2384(7) 0.4495(6) 0.6550(3) 0.0361(13) Uani 1 1 d . . . . .
C8 C 0.2312(8) 0.5207(7) 0.7256(3) 0.0510(17) Uani 1 1 d . . . . .
H8 H 0.2918 0.4824 0.7683 0.061 Uiso 1 1 calc R . . . .
C9 C 0.1351(8) 0.6482(7) 0.7336(4) 0.0535(17) Uani 1 1 d . . . . .
H9 H 0.1286 0.6951 0.7818 0.064 Uiso 1 1 calc R . . . .
C10 C 0.0483(8) 0.7048(7) 0.6682(4) 0.0517(17) Uani 1 1 d . . . . .
H10 H -0.0138 0.7920 0.6722 0.062 Uiso 1 1 calc R . . . .
C11 C 0.0528(8) 0.6358(7) 0.5995(4) 0.0505(17) Uani 1 1 d . . . . .
H11 H -0.0089 0.6743 0.5571 0.061 Uiso 1 1 calc R . . . .
C12 C 0.1495(8) 0.5068(7) 0.5910(3) 0.0456(15) Uani 1 1 d . . . . .
H12 H 0.1540 0.4599 0.5430 0.055 Uiso 1 1 calc R . . . .
C13 C 0.3435(7) 0.2076(6) 0.5536(3) 0.0357(13) Uani 1 1 d . . . . .
C14 C 0.4165(8) 0.2778(7) 0.4760(3) 0.0450(15) Uani 1 1 d . . . . .
H14 H 0.4761 0.3670 0.4722 0.054 Uiso 1 1 calc R . . . .
C15 C 0.4015(9) 0.2163(8) 0.4038(4) 0.0516(17) Uani 1 1 d . . . . .
H15 H 0.4502 0.2646 0.3517 0.062 Uiso 1 1 calc R . . . .
C16 C 0.3155(8) 0.0847(8) 0.4084(4) 0.0523(17) Uani 1 1 d . . . . .
H16 H 0.3048 0.0439 0.3597 0.063 Uiso 1 1 calc R . . . .
C17 C 0.2448(8) 0.0128(7) 0.4856(4) 0.0536(17) Uani 1 1 d . . . . .
H17 H 0.1884 -0.0776 0.4891 0.064 Uiso 1 1 calc R . . . .
C18 C 0.2572(8) 0.0746(7) 0.5580(4) 0.0462(15) Uani 1 1 d . . . . .
H18 H 0.2072 0.0264 0.6100 0.055 Uiso 1 1 calc R . . . .
C19 C 0.2793(8) 0.1647(6) 0.7371(3) 0.0410(15) Uani 1 1 d . . . . .
C20 C 0.3907(9) 0.0808(7) 0.7827(3) 0.0532(18) Uani 1 1 d . . . . .
H20 H 0.5184 0.0865 0.7677 0.064 Uiso 1 1 calc R . . . .
C21 C 0.3074(11) -0.0131(8) 0.8521(4) 0.065(2) Uani 1 1 d . . . . .
H21 H 0.3808 -0.0687 0.8839 0.078 Uiso 1 1 calc R . . . .
C22 C 0.1210(11) -0.0239(8) 0.8736(4) 0.069(2) Uani 1 1 d . . . . .
H22 H 0.0675 -0.0873 0.9194 0.083 Uiso 1 1 calc R . . . .
C23 C 0.0121(10) 0.0585(7) 0.8277(4) 0.064(2) Uani 1 1 d . . . . .
H23 H -0.1155 0.0508 0.8427 0.077 Uiso 1 1 calc R . . . .
C24 C 0.0884(8) 0.1522(7) 0.7602(4) 0.0558(18) Uani 1 1 d . . . . .
H24 H 0.0127 0.2078 0.7296 0.067 Uiso 1 1 calc R . . . .
F6 F 0.6555(5) 0.7439(4) 0.8086(2) 0.0682(12) Uani 1 1 d . . . . .
F2 F 0.7423(6) 0.2734(4) 0.9353(2) 0.0786(13) Uani 1 1 d . . . . .
F5 F 0.6939(6) 0.8509(4) 0.9514(2) 0.0762(12) Uani 1 1 d . . . . .
F4 F 0.7654(6) 0.6725(5) 1.0839(2) 0.0830(13) Uani 1 1 d . . . . .
F3 F 0.7882(6) 0.3829(5) 1.0747(2) 0.0847(14) Uani 1 1 d . . . . .
P1 P 0.37428(19) 0.28649(16) 0.64692(8) 0.0361(4) Uani 1 1 d . . . . .
S1 S 0.64659(19) 0.32455(18) 0.63504(9) 0.0457(4) Uani 1 1 d . . . . .


_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 C1 2.025(6) . ?
Au1 S1 2.3105(16) . ?
C1 C2 1.376(7) . ?
C1 C6 1.379(8) . ?
C2 C3 1.356(9) . ?
C2 F2 1.344(7) . ?
C3 C4 1.363(9) . ?
C3 F3 1.357(6) . ?
C4 C5 1.369(8) . ?
C4 F4 1.342(7) . ?
C5 C6 1.359(8) . ?
C5 F5 1.356(7) . ?
C6 F6 1.358(6) . ?
C7 C8 1.376(8) . ?
C7 C12 1.384(7) . ?
C7 P1 1.813(5) . ?
C8 C9 1.382(7) . ?
C9 C10 1.392(7) . ?
C10 C11 1.342(8) . ?
C11 C12 1.396(8) . ?
C13 C14 1.381(7) . ?
C13 C18 1.379(8) . ?
C13 P1 1.803(6) . ?
C14 C15 1.381(8) . ?
C15 C16 1.367(9) . ?
C16 C17 1.376(8) . ?
C17 C18 1.381(8) . ?
C19 C20 1.385(7) . ?
C19 C24 1.393(8) . ?
C19 P1 1.795(5) . ?
C20 C21 1.402(8) . ?
C21 C22 1.358(10) . ?
C22 C23 1.367(8) . ?
C23 C24 1.367(8) . ?
P1 S1 2.011(2) . ?

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
C1 Au1 S1 177.88(15) . . ?
C2 C1 Au1 122.9(5) . . ?
C2 C1 C6 114.6(6) . . ?
C6 C1 Au1 122.5(4) . . ?
C3 C2 C1 123.5(6) . . ?
F2 C2 C1 119.8(6) . . ?
F2 C2 C3 116.7(5) . . ?
C2 C3 C4 120.1(6) . . ?
C2 C3 F3 120.8(6) . . ?
F3 C3 C4 119.1(6) . . ?
C3 C4 C5 118.6(6) . . ?
F4 C4 C3 120.7(6) . . ?
F4 C4 C5 120.6(7) . . ?
C6 C5 C4 119.9(6) . . ?
F5 C5 C4 118.6(6) . . ?
F5 C5 C6 121.4(5) . . ?
C5 C6 C1 123.3(5) . . ?
F6 C6 C1 119.9(6) . . ?
F6 C6 C5 116.9(6) . . ?
C8 C7 C12 119.7(5) . . ?
C8 C7 P1 118.5(4) . . ?
C12 C7 P1 121.8(4) . . ?
C7 C8 C9 120.8(5) . . ?
C8 C9 C10 118.6(6) . . ?
C11 C10 C9 121.1(5) . . ?
C10 C11 C12 120.5(5) . . ?
C7 C12 C11 119.2(6) . . ?
C14 C13 P1 119.4(5) . . ?
C18 C13 C14 119.1(6) . . ?
C18 C13 P1 121.5(4) . . ?
C13 C14 C15 120.3(6) . . ?
C16 C15 C14 120.4(6) . . ?
C15 C16 C17 119.7(6) . . ?
C16 C17 C18 120.2(6) . . ?
C13 C18 C17 120.3(6) . . ?
C20 C19 C24 119.5(5) . . ?
C20 C19 P1 121.7(5) . . ?
C24 C19 P1 118.8(4) . . ?
C19 C20 C21 118.7(6) . . ?
C22 C21 C20 120.9(6) . . ?
C21 C22 C23 119.9(6) . . ?
C22 C23 C24 120.8(6) . . ?
C23 C24 C19 120.2(6) . . ?
C7 P1 S1 113.1(2) . . ?
C13 P1 C7 109.1(2) . . ?
C13 P1 S1 105.91(18) . . ?
C19 P1 C7 105.5(2) . . ?
C19 P1 C13 108.9(3) . . ?
C19 P1 S1 114.27(19) . . ?
P1 S1 Au1 102.77(7) . . ?

_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 1.322
_oxdiff_exptl_absorpt_empirical_full_min 0.786

####################################################################### 
# 
# 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_8
_database_code_depnum_ccdc_archive 'CCDC 1995588'
loop_
_audit_author_name
_audit_author_address
'Jesus A Miguel'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2020-04-08 deposited with the CCDC.	2020-05-15 downloaded from the CCDC.
;
_audit_creation_date             2019-04-08
_audit_creation_method           
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C43 H26 Au F5 N P S'
_chemical_formula_sum            'C43 H26 Au F5 N P S'
_chemical_formula_weight         911.64
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C43 H26 Au F5 N P S'
_chemical_oxdiff_usercomment     colourless
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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.9368(3)
_cell_length_b                   13.7072(6)
_cell_length_c                   15.0808(5)
_cell_angle_alpha                79.195(3)
_cell_angle_beta                 78.797(3)
_cell_angle_gamma                88.661(3)
_cell_volume                     1779.88(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4893
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.6960
_cell_measurement_theta_min      3.7630
_shelx_estimated_absorpt_T_max   0.811
_shelx_estimated_absorpt_T_min   0.365
_exptl_absorpt_coefficient_mu    4.296
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.436
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             892
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 2 -20 0.0951
12 0 0 0.1184
-12 -1 4 0.1105
-1 -2 19 0.0505
-1 -19 -2 0.0214
0 19 2 0.0197
-2 -17 -14 0.0559

_exptl_crystal_size_max          0.294
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.051
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-2.0046 1.9391 -19.9847 -0.7695 0.6080 -0.0409
12.0027 -0.0073 0.0026 -0.0420 0.0561 0.9687
-12.0017 -0.9784 3.9954 0.2231 -0.1616 -0.9931
-0.9963 -1.9401 18.9850 0.7455 -0.5882 -0.1953
-0.9981 -18.9476 -1.9607 0.7537 0.6336 -0.0796
-0.0021 18.9482 1.9605 -0.7502 -0.6382 -0.0011
-2.0009 -16.9867 -13.9530 0.2568 0.9753 -0.0876

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0659
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.818
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13693
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.818
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.744
_diffrn_reflns_theta_min         3.398
_diffrn_ambient_temperature      293.0
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.818
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00  54.00   1.00   16.55    --  -10.64  57.00-150.00   87
  2  ω    -84.00  18.00   1.00   16.55    --  -10.64 -57.00  60.00  102
  3  ω    -12.00  79.00   1.00   16.55    --   12.20  77.00 -30.00   91
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0035301000
_diffrn_orient_matrix_UB_12      -0.0431787000
_diffrn_orient_matrix_UB_13      0.0346706000
_diffrn_orient_matrix_UB_21      0.0046649000
_diffrn_orient_matrix_UB_22      -0.0301832000
_diffrn_orient_matrix_UB_23      -0.0338208000
_diffrn_orient_matrix_UB_31      0.0807055000
_diffrn_orient_matrix_UB_32      0.0005713000
_diffrn_orient_matrix_UB_33      -0.0059911000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6035
_reflns_number_total             8294
_reflns_odcompleteness_completeness 99.74
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_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    ?
_refine_diff_density_max         0.982
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8294
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0441
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0317P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0766
_refine_ls_wR_factor_ref         0.0892
_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:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C26(H26), C29(H29), C30(H30),
  C31(H31), C32(H32), C33(H33), C35(H35), C37(H37), C38(H38), C39(H39),
 C40(H40), C42(H42), C43(H43)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.07888(2) 0.69082(2) 0.98004(2) 0.04834(9) Uani 1 1 d . . . . .
C1 C -0.0457(5) 0.8166(4) 0.9792(3) 0.0452(12) Uani 1 1 d . . . . .
C2 C -0.1587(6) 0.8296(4) 1.0528(3) 0.0536(14) Uani 1 1 d . . . . .
C3 C -0.2445(6) 0.9155(4) 1.0533(3) 0.0486(14) Uani 1 1 d . . . . .
C4 C -0.2200(7) 0.9895(4) 0.9795(4) 0.0612(16) Uani 1 1 d . . . . .
C5 C -0.1081(7) 0.9815(5) 0.9057(4) 0.0645(16) Uani 1 1 d . . . . .
C6 C -0.0248(7) 0.8954(5) 0.9080(4) 0.0600(15) Uani 1 1 d . . . . .
C7 C 0.4713(5) 0.6663(4) 0.8322(3) 0.0363(11) Uani 1 1 d . . . . .
C8 C 0.6263(5) 0.6503(4) 0.8257(3) 0.0463(13) Uani 1 1 d . . . . .
H8 H 0.6639 0.5861 0.8302 0.056 Uiso 1 1 calc R . . . .
C9 C 0.7254(7) 0.7305(5) 0.8127(4) 0.0630(16) Uani 1 1 d . . . . .
H9 H 0.8293 0.7196 0.8094 0.076 Uiso 1 1 calc R . . . .
C10 C 0.6722(7) 0.8247(5) 0.8045(4) 0.0676(16) Uani 1 1 d . . . . .
H10 H 0.7395 0.8781 0.7943 0.081 Uiso 1 1 calc R . . . .
C11 C 0.5161(7) 0.8407(5) 0.8117(4) 0.0652(16) Uani 1 1 d . . . . .
H11 H 0.4791 0.9051 0.8067 0.078 Uiso 1 1 calc R . . . .
C12 C 0.4174(6) 0.7625(4) 0.8261(3) 0.0522(13) Uani 1 1 d . . . . .
H12 H 0.3133 0.7737 0.8318 0.063 Uiso 1 1 calc R . . . .
C13 C 0.2114(5) 0.5776(4) 0.7780(3) 0.0377(11) Uani 1 1 d . . . . .
C14 C 0.0949(6) 0.5085(5) 0.7935(4) 0.0581(15) Uani 1 1 d . . . . .
H14 H 0.0852 0.4564 0.8437 0.070 Uiso 1 1 calc R . . . .
C15 C -0.0079(7) 0.5165(6) 0.7344(5) 0.082(2) Uani 1 1 d . . . . .
H15 H -0.0862 0.4697 0.7455 0.098 Uiso 1 1 calc R . . . .
C16 C 0.0045(7) 0.5909(7) 0.6617(5) 0.080(2) Uani 1 1 d . . . . .
H16 H -0.0648 0.5950 0.6225 0.096 Uiso 1 1 calc R . . . .
C17 C 0.1179(8) 0.6608(6) 0.6447(4) 0.080(2) Uani 1 1 d . . . . .
H17 H 0.1244 0.7132 0.5950 0.096 Uiso 1 1 calc R . . . .
C18 C 0.2245(6) 0.6533(5) 0.7026(3) 0.0571(15) Uani 1 1 d . . . . .
H18 H 0.3041 0.6994 0.6900 0.069 Uiso 1 1 calc R . . . .
C19 C 0.4455(5) 0.4501(4) 0.8494(3) 0.0374(11) Uani 1 1 d . . . . .
C20 C 0.4421(6) 0.3763(4) 0.9240(3) 0.0479(13) Uani 1 1 d . . . . .
H20 H 0.3845 0.3842 0.9805 0.057 Uiso 1 1 calc R . . . .
C21 C 0.5232(6) 0.2892(4) 0.9172(3) 0.0538(14) Uani 1 1 d . . . . .
H21 H 0.5236 0.2411 0.9696 0.065 Uiso 1 1 calc R . . . .
C22 C 0.6017(6) 0.2741(4) 0.8344(3) 0.0472(13) Uani 1 1 d . . . . .
H22 H 0.6540 0.2152 0.8304 0.057 Uiso 1 1 calc R . . . .
C23 C 0.6047(5) 0.3470(3) 0.7544(3) 0.0379(11) Uani 1 1 d . . . . .
C24 C 0.5320(5) 0.4378(3) 0.7620(3) 0.0332(10) Uani 1 1 d . . . . .
C25 C 0.6254(5) 0.5064(3) 0.6095(3) 0.0337(10) Uani 1 1 d . . . . .
C26 C 0.6944(5) 0.4163(4) 0.5959(3) 0.0391(11) Uani 1 1 d . . . . .
H26 H 0.7488 0.4113 0.5377 0.047 Uiso 1 1 calc R . . . .
C27 C 0.6841(5) 0.3359(4) 0.6650(3) 0.0377(11) Uani 1 1 d . . . . .
C28 C 0.7483(5) 0.2400(4) 0.6447(3) 0.0390(11) Uani 1 1 d . . . . .
C29 C 0.8949(5) 0.2347(4) 0.5955(3) 0.0486(13) Uani 1 1 d . . . . .
H29 H 0.9574 0.2911 0.5785 0.058 Uiso 1 1 calc R . . . .
C30 C 0.9494(7) 0.1459(5) 0.5713(4) 0.0614(16) Uani 1 1 d . . . . .
H30 H 1.0486 0.1429 0.5388 0.074 Uiso 1 1 calc R . . . .
C31 C 0.8580(7) 0.0622(5) 0.5950(4) 0.0658(17) Uani 1 1 d . . . . .
H31 H 0.8941 0.0029 0.5781 0.079 Uiso 1 1 calc R . . . .
C32 C 0.7126(7) 0.0676(4) 0.6439(4) 0.0625(15) Uani 1 1 d . . . . .
H32 H 0.6503 0.0111 0.6603 0.075 Uiso 1 1 calc R . . . .
C33 C 0.6575(6) 0.1546(4) 0.6689(3) 0.0520(14) Uani 1 1 d . . . . .
H33 H 0.5587 0.1566 0.7022 0.062 Uiso 1 1 calc R . . . .
C34 C 0.6443(5) 0.5953(4) 0.5357(3) 0.0366(11) Uani 1 1 d . . . . .
C35 C 0.6232(5) 0.6878(4) 0.5573(3) 0.0406(12) Uani 1 1 d . . . . .
H35 H 0.5901 0.6934 0.6185 0.049 Uiso 1 1 calc R . . . .
C36 C 0.6503(5) 0.7755(4) 0.4891(3) 0.0407(11) Uani 1 1 d . . . . .
C37 C 0.6325(6) 0.8706(4) 0.5109(4) 0.0540(14) Uani 1 1 d . . . . .
H37 H 0.5974 0.8774 0.5716 0.065 Uiso 1 1 calc R . . . .
C38 C 0.6661(6) 0.9530(5) 0.4442(4) 0.0623(16) Uani 1 1 d . . . . .
H38 H 0.6532 1.0157 0.4596 0.075 Uiso 1 1 calc R . . . .
C39 C 0.7196(6) 0.9441(5) 0.3530(4) 0.0628(16) Uani 1 1 d . . . . .
H39 H 0.7426 1.0011 0.3082 0.075 Uiso 1 1 calc R . . . .
C40 C 0.7387(6) 0.8536(5) 0.3287(4) 0.0583(15) Uani 1 1 d . . . . .
H40 H 0.7757 0.8490 0.2676 0.070 Uiso 1 1 calc R . . . .
C41 C 0.7023(5) 0.7648(4) 0.3966(3) 0.0430(12) Uani 1 1 d . . . . .
C42 C 0.7209(6) 0.6707(4) 0.3753(3) 0.0505(14) Uani 1 1 d . . . . .
H42 H 0.7525 0.6641 0.3142 0.061 Uiso 1 1 calc R . . . .
C43 C 0.6936(5) 0.5876(4) 0.4420(3) 0.0425(12) Uani 1 1 d . . . . .
H43 H 0.7076 0.5253 0.4260 0.051 Uiso 1 1 calc R . . . .
F2 F -0.1878(4) 0.7573(3) 1.1288(2) 0.0727(10) Uani 1 1 d . . . . .
F3 F -0.3581(4) 0.9209(3) 1.1260(2) 0.0901(12) Uani 1 1 d . . . . .
F4 F -0.3041(5) 1.0716(3) 0.9790(3) 0.0953(13) Uani 1 1 d . . . . .
F5 F -0.0823(5) 1.0554(3) 0.8335(3) 0.1065(15) Uani 1 1 d . . . . .
F6 F 0.0822(5) 0.8895(3) 0.8321(2) 0.1054(15) Uani 1 1 d . . . . .
N1 N 0.5416(4) 0.5164(3) 0.6910(2) 0.0336(8) Uani 1 1 d . . . . .
P1 P 0.33990(13) 0.56298(10) 0.85809(7) 0.0359(3) Uani 1 1 d . . . . .
S1 S 0.21850(15) 0.54613(11) 0.98772(8) 0.0487(3) Uani 1 1 d . . . . .


_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 C1 2.030(5) . ?
Au1 S1 2.3148(13) . ?
C1 C2 1.383(7) . ?
C1 C6 1.361(8) . ?
C2 C3 1.390(7) . ?
C2 F2 1.354(6) . ?
C3 C4 1.345(8) . ?
C3 F3 1.354(6) . ?
C4 C5 1.364(8) . ?
C4 F4 1.338(6) . ?
C5 C6 1.378(8) . ?
C5 F5 1.329(7) . ?
C6 F6 1.356(6) . ?
C7 C8 1.385(6) . ?
C7 C12 1.386(7) . ?
C7 P1 1.797(5) . ?
C8 C9 1.388(8) . ?
C9 C10 1.357(8) . ?
C10 C11 1.393(8) . ?
C11 C12 1.363(8) . ?
C13 C14 1.380(7) . ?
C13 C18 1.377(7) . ?
C13 P1 1.805(4) . ?
C14 C15 1.387(8) . ?
C15 C16 1.339(10) . ?
C16 C17 1.365(10) . ?
C17 C18 1.401(8) . ?
C19 C20 1.361(6) . ?
C19 C24 1.429(6) . ?
C19 P1 1.806(4) . ?
C20 C21 1.392(7) . ?
C21 C22 1.358(7) . ?
C22 C23 1.411(6) . ?
C23 C24 1.405(6) . ?
C23 C27 1.430(6) . ?
C24 N1 1.361(5) . ?
C25 C26 1.400(6) . ?
C25 C34 1.476(6) . ?
C25 N1 1.337(5) . ?
C26 C27 1.359(6) . ?
C27 C28 1.483(6) . ?
C28 C29 1.382(6) . ?
C28 C33 1.390(7) . ?
C29 C30 1.386(7) . ?
C30 C31 1.374(9) . ?
C31 C32 1.371(8) . ?
C32 C33 1.370(7) . ?
C34 C35 1.367(6) . ?
C34 C43 1.419(6) . ?
C35 C36 1.419(7) . ?
C36 C37 1.401(7) . ?
C36 C41 1.417(6) . ?
C37 C38 1.360(8) . ?
C38 C39 1.392(7) . ?
C39 C40 1.357(8) . ?
C40 C41 1.433(7) . ?
C41 C42 1.386(7) . ?
C42 C43 1.363(7) . ?
P1 S1 2.0175(16) . ?

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
C1 Au1 S1 177.56(14) . . ?
C2 C1 Au1 122.1(4) . . ?
C6 C1 Au1 123.6(4) . . ?
C6 C1 C2 114.2(5) . . ?
C1 C2 C3 122.7(5) . . ?
F2 C2 C1 119.8(4) . . ?
F2 C2 C3 117.5(4) . . ?
C4 C3 C2 119.8(5) . . ?
C4 C3 F3 120.8(4) . . ?
F3 C3 C2 119.3(5) . . ?
C3 C4 C5 120.0(5) . . ?
F4 C4 C3 120.0(5) . . ?
F4 C4 C5 120.0(5) . . ?
C4 C5 C6 118.6(5) . . ?
F5 C5 C4 119.9(5) . . ?
F5 C5 C6 121.6(5) . . ?
C1 C6 C5 124.7(5) . . ?
F6 C6 C1 118.8(5) . . ?
F6 C6 C5 116.5(5) . . ?
C8 C7 C12 119.3(5) . . ?
C8 C7 P1 120.3(4) . . ?
C12 C7 P1 120.2(4) . . ?
C7 C8 C9 119.8(5) . . ?
C10 C9 C8 120.6(5) . . ?
C9 C10 C11 119.6(6) . . ?
C12 C11 C10 120.3(6) . . ?
C11 C12 C7 120.4(5) . . ?
C14 C13 P1 117.8(4) . . ?
C18 C13 C14 118.8(5) . . ?
C18 C13 P1 123.4(4) . . ?
C13 C14 C15 120.2(6) . . ?
C16 C15 C14 120.7(7) . . ?
C15 C16 C17 120.6(6) . . ?
C16 C17 C18 119.7(7) . . ?
C13 C18 C17 120.0(6) . . ?
C20 C19 C24 119.7(4) . . ?
C20 C19 P1 121.2(3) . . ?
C24 C19 P1 119.2(3) . . ?
C19 C20 C21 121.2(4) . . ?
C22 C21 C20 120.3(5) . . ?
C21 C22 C23 120.7(4) . . ?
C22 C23 C27 123.7(4) . . ?
C24 C23 C22 119.2(4) . . ?
C24 C23 C27 117.1(4) . . ?
C23 C24 C19 118.8(4) . . ?
N1 C24 C19 117.6(4) . . ?
N1 C24 C23 123.6(4) . . ?
C26 C25 C34 121.8(4) . . ?
N1 C25 C26 121.3(4) . . ?
N1 C25 C34 116.9(4) . . ?
C27 C26 C25 121.9(4) . . ?
C23 C27 C28 122.7(4) . . ?
C26 C27 C23 117.8(4) . . ?
C26 C27 C28 119.5(4) . . ?
C29 C28 C27 121.1(5) . . ?
C29 C28 C33 118.5(4) . . ?
C33 C28 C27 120.2(4) . . ?
C28 C29 C30 120.4(6) . . ?
C31 C30 C29 120.5(5) . . ?
C32 C31 C30 119.0(5) . . ?
C33 C32 C31 121.2(6) . . ?
C32 C33 C28 120.4(5) . . ?
C35 C34 C25 120.1(4) . . ?
C35 C34 C43 118.5(4) . . ?
C43 C34 C25 121.3(4) . . ?
C34 C35 C36 122.0(4) . . ?
C37 C36 C35 122.4(4) . . ?
C37 C36 C41 119.7(5) . . ?
C41 C36 C35 117.9(4) . . ?
C38 C37 C36 120.8(5) . . ?
C37 C38 C39 120.4(6) . . ?
C40 C39 C38 121.0(5) . . ?
C39 C40 C41 120.4(5) . . ?
C36 C41 C40 117.7(5) . . ?
C42 C41 C36 119.6(5) . . ?
C42 C41 C40 122.6(4) . . ?
C43 C42 C41 121.3(4) . . ?
C42 C43 C34 120.7(5) . . ?
C25 N1 C24 118.0(3) . . ?
C7 P1 C13 110.8(2) . . ?
C7 P1 C19 109.2(2) . . ?
C7 P1 S1 111.74(15) . . ?
C13 P1 C19 108.5(2) . . ?
C13 P1 S1 109.52(15) . . ?
C19 P1 S1 107.00(16) . . ?
P1 S1 Au1 101.21(6) . . ?

_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 1.433
_oxdiff_exptl_absorpt_empirical_full_min 0.667

