# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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 
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data_Au_pftb_PMe3
_database_code_depnum_ccdc_archive 'CCDC 2503049'
loop_
_audit_author_name
_audit_author_address
'Nick Hoffman'
;McMaster University
Canada
;
_audit_update_record             
;
2025-11-14 deposited with the CCDC.	2025-12-16 downloaded from the CCDC.
;
_audit_creation_date             2025-11-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H27 Au3 F27 O3 P3'
_chemical_formula_sum            'C21 H27 Au3 F27 O3 P3'
_chemical_formula_weight         1524.23
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      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                   9.9564(18)
_cell_length_b                   11.5148(9)
_cell_length_c                   17.391(3)
_cell_angle_alpha                84.921(18)
_cell_angle_beta                 86.684(12)
_cell_angle_gamma                86.06(3)
_cell_volume                     1978.6(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3972
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.42
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   0.209
_shelx_estimated_absorpt_T_min   0.092
_exptl_absorpt_coefficient_mu    11.370
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.4278
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1093 before and 0.0294 after correction.
The Ratio of minimum to maximum transmission is 0.5735.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.558
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1404
_exptl_crystal_preparation       'Vapour diffusion hexanes/DCM'
_exptl_crystal_recrystallization_method 'Vapour diffusion hexanes/DCM'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0656
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23658
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.606
_diffrn_reflns_theta_min         2.048
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
432 frames, detector distance = 100.0 mm
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9608
_reflns_number_total             11033
_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       'SAINT V8.40B (2, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (2, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.127
_refine_diff_density_min         -2.147
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       0.00109(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         11033
_refine_ls_number_restraints     1707
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0305
_refine_ls_restrained_S_all      1.014
_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)+3.2483P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0800
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1-C2 \\sim C1-C3 \\sim C1-C4 \\sim C8-C9 \\sim C8-C9A \\sim C8-C11 \\sim
C8-C11A \\sim C8-C10 \\sim C8-C10A
 \\sim C15-C17 \\sim C15-C17A \\sim C15-C18 \\sim C15-C18A \\sim C15-C16 \\sim
C15-C16A
 with sigma of 0.005
 C2-F1 \\sim C2-F2 \\sim C2-F3 \\sim C3-F4 \\sim C3-F5 \\sim C3-F6 \\sim C4-F7
\\sim C4-F8 \\sim C4-F9 \\sim F10-
 C9 \\sim F10A-C9A \\sim F11-C9 \\sim F11A-C9A \\sim F12-C9 \\sim F12A-C9A
\\sim F13-C10 \\sim F13A-C10A ~
 F14-C10 \\sim F14A-C10A \\sim F15-C10 \\sim F15A-C10A \\sim F16-C11 \\sim
F16A-C11A \\sim F17-C11 ~
 F17A-C11A \\sim F18-C11 \\sim F18A-C11A \\sim F19-C16 \\sim F19A-C16A \\sim
F20-C16 \\sim F20A-C16A ~
 F21-C16 \\sim F21A-C16A \\sim F22-C17 \\sim F22A-C17A \\sim F23-C17 \\sim
F23A-C17A \\sim F24-C17 ~
 F24A-C17A \\sim F25-C18 \\sim F25A-C18A \\sim F26-C18 \\sim F26A-C18A \\sim
F27-C18 \\sim F27A-C18A
 with sigma of 0.005
 F11-F10 \\sim F11A-F10A \\sim F11-F12 \\sim F11A-F12A \\sim F14-F15 \\sim
F14A-F15A \\sim F14-F13 ~
 F14A-F13A \\sim F15-F13 \\sim F15A-F13A \\sim F18-F16 \\sim F18A-F16A \\sim
F18-F17 \\sim F18A-F17A ~
 F10-F12 \\sim F10A-F12A \\sim F16-F17 \\sim F16A-F17A
 with sigma of 0.04
 F11-C8 \\sim F11A-C8 \\sim F14-C8 \\sim F14A-C8 \\sim F15-C8 \\sim F15A-C8
\\sim F18-C8 \\sim F18A-C8 \\sim
 F10-C8 \\sim F10A-C8 \\sim F16-C8 \\sim F16A-C8 \\sim F13-C8 \\sim F13A-C8
\\sim F12-C8 \\sim F12A-C8 ~
 F17-C8 \\sim F17A-C8
 with sigma of 0.04
 F20-C15 \\sim F20A-C15 \\sim F21-C15 \\sim F21A-C15 \\sim F24-C15 \\sim
F24A-C15 \\sim F23-C15 \\sim F23A-
 C15 \\sim F22-C15 \\sim F22A-C15 \\sim C15-F27 \\sim C15-F27A \\sim C15-F26
\\sim C15-F26A \\sim C15-F25 ~
 C15-F25A \\sim C15-F19 \\sim C15-F19A
 with sigma of 0.04
 F20-F21 \\sim F20A-F21A \\sim F20-F19 \\sim F20A-F19A \\sim F21-F19 \\sim
F21A-F19A \\sim F24-F23 ~
 F24A-F23A \\sim F24-F22 \\sim F24A-F22A \\sim F23-F22 \\sim F23A-F22A \\sim
F27-F26 \\sim F27A-F26A ~
 F27-F25 \\sim F27A-F25A \\sim F26-F25 \\sim F26A-F25A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(F20) = Uanis(F26A)
Uanis(F25A) = Uanis(F25)
Uanis(F21) = Uanis(F21A)
Uanis(F19A) = Uanis(F24)
Uanis(F22) = Uanis(F22A)
Uanis(F23A) = Uanis(F27)
Uanis(F26) = Uanis(F20A)
Uanis(F23A) = Uanis(F23)
Uanis(F27) = Uanis(F27A)
Uanis(F10A) = Uanis(F15)
Uanis(F18) = Uanis(F14A)
Uanis(F15A) = Uanis(F15)
Uanis(F16) = Uanis(F16A)
Uanis(F17A) = Uanis(F11)
Uanis(F12A) = Uanis(F12)
Uanis(F13A) = Uanis(F13)
Uanis(F10) = Uanis(F10A)
Uanis(F18A) = Uanis(F18)
4. Others
 Sof(F19A)=Sof(F20A)=Sof(F21A)=Sof(F22A)=Sof(F23A)=Sof(F24A)=Sof(F25A)=
 Sof(F26A)=Sof(F27A)=Sof(C16A)=Sof(C17A)=Sof(C18A)=1-FVAR(1)
 Sof(F19)=Sof(F20)=Sof(F21)=Sof(F22)=Sof(F23)=Sof(F24)=Sof(F25)=Sof(F26)=
 Sof(F27)=Sof(C16)=Sof(C17)=Sof(C18)=FVAR(1)
 Sof(F10A)=Sof(F11A)=Sof(F12A)=Sof(F13A)=Sof(F14A)=Sof(F15A)=Sof(F16A)=
 Sof(F17A)=Sof(F18A)=Sof(C9A)=Sof(C10A)=Sof(C11A)=1-FVAR(2)
 Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(F16)=Sof(F17)=
 Sof(F18)=Sof(C9)=Sof(C10)=Sof(C11)=FVAR(2)
5.a Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C12(H12A,H12B,H12C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C)
;
_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 0.98167(2) -0.05265(2) 0.29857(2) 0.01912(5) Uani 1 1 d . . . . .
Au2 Au 0.78813(2) 0.19475(2) 0.27205(2) 0.01646(5) Uani 1 1 d . . . . .
Au3 Au 0.95510(2) 0.42627(2) 0.20271(2) 0.01748(5) Uani 1 1 d . . . . .
P1 P 0.83423(12) -0.12739(11) 0.38551(7) 0.0213(2) Uani 1 1 d . . . . .
P2 P 0.77103(11) 0.15465(10) 0.15061(7) 0.0165(2) Uani 1 1 d . . . . .
P3 P 1.13109(12) 0.38210(10) 0.27350(7) 0.0199(2) Uani 1 1 d . . . . .
F1 F 1.0854(3) -0.1688(3) 0.1333(3) 0.0507(10) Uani 1 1 d D . . . .
F2 F 1.1940(4) -0.2436(3) 0.2315(2) 0.0519(10) Uani 1 1 d D . . . .
F3 F 1.2982(4) -0.2154(3) 0.1199(2) 0.0504(10) Uani 1 1 d D . . . .
F4 F 1.4419(3) -0.1330(4) 0.2314(2) 0.0469(10) Uani 1 1 d D . . . .
F5 F 1.2908(3) -0.0847(4) 0.31937(18) 0.0452(9) Uani 1 1 d D . . . .
F6 F 1.3941(3) 0.0490(3) 0.2500(2) 0.0428(9) Uani 1 1 d D . . . .
F7 F 1.2048(4) 0.0093(4) 0.05445(18) 0.0429(9) Uani 1 1 d D . . . .
F8 F 1.4097(3) -0.0076(3) 0.0913(2) 0.0414(8) Uani 1 1 d D . . . .
F9 F 1.2755(3) 0.1378(3) 0.1211(2) 0.0367(7) Uani 1 1 d D . . . .
O1 O 1.1156(3) 0.0143(3) 0.21474(19) 0.0195(6) Uani 1 1 d . . . . .
O2 O 0.7901(3) 0.2243(3) 0.38790(18) 0.0200(6) Uani 1 1 d . . . . .
O3 O 0.8006(3) 0.4685(3) 0.1308(2) 0.0227(7) Uani 1 1 d . . . . .
C1 C 1.2290(4) -0.0462(3) 0.1885(2) 0.0199(9) Uani 1 1 d D . . . .
C2 C 1.2022(4) -0.1705(3) 0.1677(2) 0.0363(13) Uani 1 1 d D . . . .
C3 C 1.3407(3) -0.0545(3) 0.2480(2) 0.0277(10) Uani 1 1 d D . . . .
C4 C 1.2819(3) 0.0233(3) 0.1131(2) 0.0296(11) Uani 1 1 d D . . . .
C5 C 0.6637(5) -0.1057(5) 0.3554(4) 0.0327(12) Uani 1 1 d . . . . .
H5A H 0.640185 -0.021829 0.345574 0.049 Uiso 1 1 calc R U . . .
H5B H 0.602253 -0.139036 0.396226 0.049 Uiso 1 1 calc R U . . .
H5C H 0.655975 -0.144292 0.307997 0.049 Uiso 1 1 calc R U . . .
C6 C 0.8346(6) -0.0691(5) 0.4787(3) 0.0346(12) Uani 1 1 d . . . . .
H6A H 0.920508 -0.092349 0.502175 0.052 Uiso 1 1 calc R U . . .
H6B H 0.760451 -0.099660 0.512337 0.052 Uiso 1 1 calc R U . . .
H6C H 0.822938 0.016351 0.472018 0.052 Uiso 1 1 calc R U . . .
C7 C 0.8591(6) -0.2836(4) 0.4043(4) 0.0330(12) Uani 1 1 d . . . . .
H7A H 0.855291 -0.320583 0.355858 0.049 Uiso 1 1 calc R U . . .
H7B H 0.788164 -0.312003 0.441196 0.049 Uiso 1 1 calc R U . . .
H7C H 0.947332 -0.303177 0.425896 0.049 Uiso 1 1 calc R U . . .
C8 C 0.6947(4) 0.2886(3) 0.4274(2) 0.0203(9) Uani 1 1 d D . . . .
C12 C 0.6217(5) 0.2274(4) 0.1104(3) 0.0272(10) Uani 1 1 d . . . . .
H12A H 0.541610 0.197520 0.138863 0.041 Uiso 1 1 calc R U . . .
H12B H 0.619665 0.212535 0.055878 0.041 Uiso 1 1 calc R U . . .
H12C H 0.622533 0.311623 0.114636 0.041 Uiso 1 1 calc R U . . .
C13 C 0.7545(5) 0.0018(4) 0.1412(3) 0.0244(9) Uani 1 1 d . . . . .
H13A H 0.838605 -0.042571 0.154592 0.037 Uiso 1 1 calc R U . . .
H13B H 0.735417 -0.009166 0.087709 0.037 Uiso 1 1 calc R U . . .
H13C H 0.680366 -0.025921 0.176023 0.037 Uiso 1 1 calc R U . . .
C14 C 0.9084(5) 0.1953(5) 0.0839(3) 0.0248(10) Uani 1 1 d . . . . .
H14A H 0.911160 0.280586 0.078324 0.037 Uiso 1 1 calc R U . . .
H14B H 0.895263 0.167210 0.033462 0.037 Uiso 1 1 calc R U . . .
H14C H 0.993541 0.160332 0.103583 0.037 Uiso 1 1 calc R U . . .
C15 C 0.7583(3) 0.5782(3) 0.1024(2) 0.0205(9) Uani 1 1 d D . . . .
C19 C 1.2891(6) 0.3889(6) 0.2180(4) 0.0375(13) Uani 1 1 d . . . . .
H19A H 1.291171 0.335445 0.177023 0.056 Uiso 1 1 calc R U . . .
H19B H 1.363368 0.366028 0.251910 0.056 Uiso 1 1 calc R U . . .
H19C H 1.298714 0.468772 0.194821 0.056 Uiso 1 1 calc R U . . .
C20 C 1.1361(5) 0.2386(5) 0.3241(3) 0.0304(11) Uani 1 1 d . . . . .
H20A H 1.058732 0.232973 0.361408 0.046 Uiso 1 1 calc R U . . .
H20B H 1.219816 0.224826 0.351468 0.046 Uiso 1 1 calc R U . . .
H20C H 1.132551 0.179764 0.286944 0.046 Uiso 1 1 calc R U . . .
C21 C 1.1447(6) 0.4800(5) 0.3482(3) 0.0350(12) Uani 1 1 d . . . . .
H21A H 1.150101 0.560080 0.324500 0.052 Uiso 1 1 calc R U . . .
H21B H 1.226037 0.456957 0.376364 0.052 Uiso 1 1 calc R U . . .
H21C H 1.065234 0.475858 0.384068 0.052 Uiso 1 1 calc R U . . .
F10 F 0.5771(4) 0.4042(4) 0.3271(2) 0.0327(6) Uani 0.833(6) 1 d D . P A 1
F11 F 0.7691(7) 0.4597(7) 0.3552(3) 0.0315(9) Uani 0.833(6) 1 d D . P A 1
F12 F 0.5950(5) 0.4861(3) 0.4324(2) 0.0342(10) Uani 0.833(6) 1 d D . P A 1
F13 F 0.6553(6) 0.3397(5) 0.5596(3) 0.0402(14) Uani 0.833(6) 1 d D . P A 1
F14 F 0.8412(4) 0.3865(4) 0.4976(3) 0.0370(11) Uani 0.833(6) 1 d D . P A 1
F15 F 0.8120(5) 0.2059(6) 0.5377(4) 0.0327(6) Uani 0.833(6) 1 d D . P A 1
F16 F 0.4570(4) 0.2889(4) 0.4686(3) 0.0336(10) Uani 0.833(6) 1 d D . P A 1
F17 F 0.5786(5) 0.1293(3) 0.4914(3) 0.0362(10) Uani 0.833(6) 1 d D . P A 1
F18 F 0.5245(6) 0.1843(5) 0.3757(3) 0.0329(11) Uani 0.833(6) 1 d D . P A 1
F19 F 0.8727(10) 0.5956(9) -0.0203(5) 0.035(2) Uani 0.618(5) 1 d D . P B 1
F20 F 0.9871(7) 0.6259(18) 0.0780(9) 0.0274(6) Uani 0.618(5) 1 d D . P B 1
F21 F 0.8360(11) 0.7566(5) 0.0389(5) 0.0352(16) Uani 0.618(5) 1 d D . P B 1
F22 F 0.6419(6) 0.7557(5) 0.1497(4) 0.0359(12) Uani 0.618(5) 1 d D . P B 1
F23 F 0.8270(6) 0.6954(5) 0.2003(4) 0.0331(11) Uani 0.618(5) 1 d D . P B 1
F24 F 0.6536(16) 0.5989(15) 0.2286(5) 0.0417(17) Uani 0.618(5) 1 d D . P B 1
F25 F 0.5944(6) 0.6684(5) 0.0149(4) 0.0402(15) Uani 0.618(5) 1 d D . P B 1
F26 F 0.5206(8) 0.5485(11) 0.1081(5) 0.038(2) Uani 0.618(5) 1 d D . P B 1
F27 F 0.6451(7) 0.4840(5) 0.0133(4) 0.0331(11) Uani 0.618(5) 1 d D . P B 1
C9 C 0.6576(4) 0.4108(3) 0.3853(2) 0.0221(11) Uani 0.833(6) 1 d D . P A 1
C10 C 0.7502(4) 0.3052(4) 0.5071(2) 0.0300(14) Uani 0.833(6) 1 d D . P A 1
C11 C 0.5621(4) 0.2233(3) 0.4407(2) 0.0250(12) Uani 0.833(6) 1 d D . P A 1
C16 C 0.8653(6) 0.6409(4) 0.0483(3) 0.0230(16) Uani 0.618(5) 1 d D . P B 1
C17 C 0.7183(5) 0.6583(4) 0.1697(3) 0.0272(17) Uani 0.618(5) 1 d D . P B 1
C18 C 0.6267(5) 0.5709(4) 0.0598(3) 0.0299(18) Uani 0.618(5) 1 d D . P B 1
F10A F 0.826(2) 0.207(3) 0.535(2) 0.0327(6) Uani 0.167(6) 1 d D . P A 2
F11A F 0.6318(18) 0.1408(13) 0.5251(11) 0.025(4) Uani 0.167(6) 1 d D . P A 2
F12A F 0.641(3) 0.309(2) 0.5636(14) 0.0342(10) Uani 0.167(6) 1 d D . P A 2
F13A F 0.460(2) 0.334(2) 0.4569(12) 0.0402(14) Uani 0.167(6) 1 d D . P A 2
F14A F 0.512(4) 0.190(2) 0.386(2) 0.0329(11) Uani 0.167(6) 1 d D . P A 2
F15A F 0.545(2) 0.3716(19) 0.3390(10) 0.0327(6) Uani 0.167(6) 1 d D . P A 2
F16A F 0.6577(19) 0.4888(14) 0.4591(13) 0.0336(10) Uani 0.167(6) 1 d D . P A 2
F17A F 0.780(4) 0.456(3) 0.3578(14) 0.0315(9) Uani 0.167(6) 1 d D . P A 2
F18A F 0.8603(16) 0.415(2) 0.4695(13) 0.0329(11) Uani 0.167(6) 1 d D . P A 2
F19A F 0.641(3) 0.609(3) 0.2225(6) 0.0417(17) Uani 0.382(5) 1 d D . P B 2
F20A F 0.5308(16) 0.5476(18) 0.1295(11) 0.038(2) Uani 0.382(5) 1 d D . P B 2
F21A F 0.5911(10) 0.7293(6) 0.1240(6) 0.0352(16) Uani 0.382(5) 1 d D . P B 2
F22A F 0.6515(10) 0.6545(7) -0.0163(6) 0.0359(12) Uani 0.382(5) 1 d D . P B 2
F23A F 0.6788(11) 0.4675(8) 0.0019(8) 0.0331(11) Uani 0.382(5) 1 d D . P B 2
F24A F 0.8448(13) 0.5654(13) -0.0301(9) 0.035(3) Uani 0.382(5) 1 d D . P B 2
F25A F 0.837(2) 0.7642(10) 0.0515(9) 0.0402(15) Uani 0.382(5) 1 d D . P B 2
F26A F 0.9885(11) 0.626(3) 0.0794(14) 0.0274(6) Uani 0.382(5) 1 d D . P B 2
F27A F 0.8690(11) 0.7031(8) 0.1725(5) 0.0331(11) Uani 0.382(5) 1 d D . P B 2
C9A C 0.7008(17) 0.2373(12) 0.5132(4) 0.025(6) Uani 0.167(6) 1 d D . P A 2
C10A C 0.5472(7) 0.2954(16) 0.4017(9) 0.042(9) Uani 0.167(6) 1 d D . P A 2
C11A C 0.7494(13) 0.4116(7) 0.4300(10) 0.036(8) Uani 0.167(6) 1 d D . P A 2
C16A C 0.6251(8) 0.6175(7) 0.1462(6) 0.028(3) Uani 0.382(5) 1 d D . P B 2
C17A C 0.7318(9) 0.5672(7) 0.0156(3) 0.024(3) Uani 0.382(5) 1 d D . P B 2
C18A C 0.8657(8) 0.6707(6) 0.1006(5) 0.023(3) Uani 0.382(5) 1 d D . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.3403(9) . ?
Au1 P1 2.2063(13) . ?
Au1 O1 2.053(3) . ?
Au2 Au3 3.3365(8) . ?
Au2 P2 2.2198(12) . ?
Au2 O2 2.074(3) . ?
Au3 P3 2.2047(13) . ?
Au3 O3 2.044(3) . ?
P1 C5 1.800(5) . ?
P1 C6 1.808(6) . ?
P1 C7 1.802(5) . ?
P2 C12 1.802(5) . ?
P2 C13 1.801(5) . ?
P2 C14 1.801(5) . ?
P3 C19 1.800(6) . ?
P3 C20 1.801(5) . ?
P3 C21 1.810(5) . ?
F1 C2 1.336(3) . ?
F2 C2 1.335(3) . ?
F3 C2 1.338(3) . ?
F4 C3 1.343(3) . ?
F5 C3 1.336(3) . ?
F6 C3 1.342(3) . ?
F7 C4 1.339(3) . ?
F8 C4 1.340(3) . ?
F9 C4 1.335(3) . ?
O1 C1 1.363(5) . ?
O2 C8 1.356(5) . ?
O3 C15 1.362(5) . ?
C1 C2 1.551(4) . ?
C1 C3 1.555(4) . ?
C1 C4 1.558(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.559(4) . ?
C8 C10 1.553(4) . ?
C8 C11 1.559(4) . ?
C8 C9A 1.559(4) . ?
C8 C10A 1.554(4) . ?
C8 C11A 1.558(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.553(4) . ?
C15 C17 1.570(4) . ?
C15 C18 1.554(4) . ?
C15 C16A 1.551(4) . ?
C15 C17A 1.565(4) . ?
C15 C18A 1.557(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
F10 C9 1.337(3) . ?
F11 C9 1.338(4) . ?
F12 C9 1.343(3) . ?
F13 C10 1.340(3) . ?
F14 C10 1.340(3) . ?
F15 C10 1.344(4) . ?
F16 C11 1.341(3) . ?
F17 C11 1.340(3) . ?
F18 C11 1.335(4) . ?
F19 C16 1.340(4) . ?
F20 C16 1.339(4) . ?
F21 C16 1.342(4) . ?
F22 C17 1.343(4) . ?
F23 C17 1.345(4) . ?
F24 C17 1.339(4) . ?
F25 C18 1.341(4) . ?
F26 C18 1.337(4) . ?
F27 C18 1.337(4) . ?
F10A C9A 1.340(4) . ?
F11A C9A 1.340(4) . ?
F12A C9A 1.340(4) . ?
F13A C10A 1.338(4) . ?
F14A C10A 1.338(4) . ?
F15A C10A 1.338(4) . ?
F16A C11A 1.340(4) . ?
F17A C11A 1.340(4) . ?
F18A C11A 1.339(4) . ?
F19A C16A 1.339(4) . ?
F20A C16A 1.338(4) . ?
F21A C16A 1.337(4) . ?
F22A C17A 1.342(4) . ?
F23A C17A 1.341(4) . ?
F24A C17A 1.340(4) . ?
F25A C18A 1.340(4) . ?
F26A C18A 1.339(4) . ?
F27A C18A 1.339(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 Au2 91.61(3) . . ?
O1 Au1 Au2 88.44(9) . . ?
O1 Au1 P1 178.00(10) . . ?
Au3 Au2 Au1 114.360(13) . . ?
P2 Au2 Au1 88.00(3) . . ?
P2 Au2 Au3 87.61(3) . . ?
O2 Au2 Au1 91.91(9) . . ?
O2 Au2 Au3 96.76(10) . . ?
O2 Au2 P2 175.23(10) . . ?
P3 Au3 Au2 95.28(4) . . ?
O3 Au3 Au2 87.15(9) . . ?
O3 Au3 P3 176.20(10) . . ?
C5 P1 Au1 112.65(19) . . ?
C5 P1 C6 106.4(3) . . ?
C5 P1 C7 103.8(3) . . ?
C6 P1 Au1 114.1(2) . . ?
C7 P1 Au1 113.3(2) . . ?
C7 P1 C6 105.7(3) . . ?
C12 P2 Au2 111.11(18) . . ?
C13 P2 Au2 113.13(17) . . ?
C13 P2 C12 104.7(2) . . ?
C14 P2 Au2 116.06(17) . . ?
C14 P2 C12 105.6(3) . . ?
C14 P2 C13 105.3(2) . . ?
C19 P3 Au3 113.0(2) . . ?
C19 P3 C20 105.3(3) . . ?
C19 P3 C21 104.3(3) . . ?
C20 P3 Au3 115.09(19) . . ?
C20 P3 C21 104.5(3) . . ?
C21 P3 Au3 113.6(2) . . ?
C1 O1 Au1 123.8(2) . . ?
C8 O2 Au2 125.6(2) . . ?
C15 O3 Au3 126.2(3) . . ?
O1 C1 C2 113.0(3) . . ?
O1 C1 C3 111.3(3) . . ?
O1 C1 C4 107.0(3) . . ?
C2 C1 C3 109.6(3) . . ?
C2 C1 C4 107.5(3) . . ?
C3 C1 C4 108.2(3) . . ?
F1 C2 F3 107.4(4) . . ?
F1 C2 C1 110.4(3) . . ?
F2 C2 F1 107.8(4) . . ?
F2 C2 F3 107.7(4) . . ?
F2 C2 C1 110.3(3) . . ?
F3 C2 C1 113.2(3) . . ?
F4 C3 C1 112.3(3) . . ?
F5 C3 F4 107.8(3) . . ?
F5 C3 F6 106.9(4) . . ?
F5 C3 C1 111.2(3) . . ?
F6 C3 F4 107.5(3) . . ?
F6 C3 C1 110.9(3) . . ?
F7 C4 F8 107.7(3) . . ?
F7 C4 C1 110.5(3) . . ?
F8 C4 C1 113.9(3) . . ?
F9 C4 F7 106.1(3) . . ?
F9 C4 F8 107.0(3) . . ?
F9 C4 C1 111.2(3) . . ?
P1 C5 H5A 109.5 . . ?
P1 C5 H5B 109.5 . . ?
P1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P1 C6 H6A 109.5 . . ?
P1 C6 H6B 109.5 . . ?
P1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P1 C7 H7A 109.5 . . ?
P1 C7 H7B 109.5 . . ?
P1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 C9 113.4(3) . . ?
O2 C8 C10 107.5(3) . . ?
O2 C8 C11 110.6(3) . . ?
O2 C8 C9A 105.2(7) . . ?
O2 C8 C10A 118.5(7) . . ?
O2 C8 C11A 106.6(6) . . ?
C9 C8 C11 107.2(3) . . ?
C10 C8 C9 109.1(3) . . ?
C10 C8 C11 108.9(3) . . ?
C10A C8 C9A 110.2(8) . . ?
C10A C8 C11A 112.4(9) . . ?
C11A C8 C9A 102.4(9) . . ?
P2 C12 H12A 109.5 . . ?
P2 C12 H12B 109.5 . . ?
P2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P2 C13 H13A 109.5 . . ?
P2 C13 H13B 109.5 . . ?
P2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C14 H14A 109.5 . . ?
P2 C14 H14B 109.5 . . ?
P2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O3 C15 C16 113.9(3) . . ?
O3 C15 C17 111.0(3) . . ?
O3 C15 C18 108.7(3) . . ?
O3 C15 C16A 109.7(4) . . ?
O3 C15 C17A 105.2(4) . . ?
O3 C15 C18A 114.9(4) . . ?
C16 C15 C17 107.2(4) . . ?
C16 C15 C18 110.5(4) . . ?
C18 C15 C17 105.3(3) . . ?
C16A C15 C17A 109.7(6) . . ?
C16A C15 C18A 112.0(6) . . ?
C18A C15 C17A 105.1(5) . . ?
P3 C19 H19A 109.5 . . ?
P3 C19 H19B 109.5 . . ?
P3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P3 C20 H20A 109.5 . . ?
P3 C20 H20B 109.5 . . ?
P3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
P3 C21 H21A 109.5 . . ?
P3 C21 H21B 109.5 . . ?
P3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
F10 C9 C8 112.3(4) . . ?
F10 C9 F11 107.2(5) . . ?
F10 C9 F12 107.0(4) . . ?
F11 C9 C8 110.2(4) . . ?
F11 C9 F12 106.7(5) . . ?
F12 C9 C8 113.1(3) . . ?
F13 C10 C8 113.8(4) . . ?
F13 C10 F15 107.0(5) . . ?
F14 C10 C8 109.1(3) . . ?
F14 C10 F13 107.6(5) . . ?
F14 C10 F15 107.7(5) . . ?
F15 C10 C8 111.3(4) . . ?
F16 C11 C8 113.8(4) . . ?
F17 C11 C8 110.8(4) . . ?
F17 C11 F16 106.6(4) . . ?
F18 C11 C8 111.9(4) . . ?
F18 C11 F16 106.9(4) . . ?
F18 C11 F17 106.5(5) . . ?
F19 C16 C15 109.0(5) . . ?
F19 C16 F21 110.1(7) . . ?
F20 C16 C15 110.9(9) . . ?
F20 C16 F19 108.5(8) . . ?
F20 C16 F21 106.5(9) . . ?
F21 C16 C15 111.8(6) . . ?
F22 C17 C15 115.2(5) . . ?
F22 C17 F23 105.2(5) . . ?
F23 C17 C15 112.0(4) . . ?
F24 C17 C15 110.9(8) . . ?
F24 C17 F22 108.1(9) . . ?
F24 C17 F23 104.9(8) . . ?
F25 C18 C15 113.0(4) . . ?
F26 C18 C15 112.8(5) . . ?
F26 C18 F25 107.8(7) . . ?
F26 C18 F27 107.7(7) . . ?
F27 C18 C15 108.4(5) . . ?
F27 C18 F25 106.8(6) . . ?
F10A C9A C8 113.8(16) . . ?
F10A C9A F11A 106.8(16) . . ?
F11A C9A C8 110.4(10) . . ?
F12A C9A C8 113.4(15) . . ?
F12A C9A F10A 107.8(17) . . ?
F12A C9A F11A 104.0(14) . . ?
F13A C10A C8 111.3(13) . . ?
F14A C10A C8 110.8(16) . . ?
F14A C10A F13A 107.8(17) . . ?
F15A C10A C8 105.4(11) . . ?
F15A C10A F13A 109.8(15) . . ?
F15A C10A F14A 111.6(17) . . ?
F16A C11A C8 112.9(11) . . ?
F16A C11A F17A 105.2(18) . . ?
F17A C11A C8 109.4(16) . . ?
F18A C11A C8 115.8(12) . . ?
F18A C11A F16A 106.4(14) . . ?
F18A C11A F17A 106.4(16) . . ?
F19A C16A C15 110.3(13) . . ?
F20A C16A C15 107.4(9) . . ?
F20A C16A F19A 110.4(12) . . ?
F21A C16A C15 109.6(6) . . ?
F21A C16A F19A 107.8(14) . . ?
F21A C16A F20A 111.3(13) . . ?
F22A C17A C15 114.2(6) . . ?
F23A C17A C15 114.7(7) . . ?
F23A C17A F22A 106.4(8) . . ?
F24A C17A C15 113.1(9) . . ?
F24A C17A F22A 105.1(10) . . ?
F24A C17A F23A 102.1(8) . . ?
F25A C18A C15 112.3(10) . . ?
F26A C18A C15 111.5(14) . . ?
F26A C18A F25A 107.5(14) . . ?
F27A C18A C15 107.3(6) . . ?
F27A C18A F25A 109.9(10) . . ?
F27A C18A F26A 108.3(11) . . ?

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 O1 C1 C2 48.5(4) . . . . ?
Au1 O1 C1 C3 -75.4(4) . . . . ?
Au1 O1 C1 C4 166.6(2) . . . . ?
Au2 O2 C8 C9 -49.2(4) . . . . ?
Au2 O2 C8 C10 -169.9(3) . . . . ?
Au2 O2 C8 C11 71.3(4) . . . . ?
Au2 O2 C8 C9A 153.1(6) . . . . ?
Au2 O2 C8 C10A 29.3(8) . . . . ?
Au2 O2 C8 C11A -98.6(8) . . . . ?
Au3 O3 C15 C16 64.1(5) . . . . ?
Au3 O3 C15 C17 -56.9(4) . . . . ?
Au3 O3 C15 C18 -172.3(3) . . . . ?
Au3 O3 C15 C16A -104.4(6) . . . . ?
Au3 O3 C15 C17A 137.8(4) . . . . ?
Au3 O3 C15 C18A 22.8(5) . . . . ?
O1 C1 C2 F1 39.2(4) . . . . ?
O1 C1 C2 F2 -79.7(4) . . . . ?
O1 C1 C2 F3 159.6(4) . . . . ?
O1 C1 C3 F4 167.1(3) . . . . ?
O1 C1 C3 F5 46.2(4) . . . . ?
O1 C1 C3 F6 -72.6(4) . . . . ?
O1 C1 C4 F7 -74.8(4) . . . . ?
O1 C1 C4 F8 163.7(3) . . . . ?
O1 C1 C4 F9 42.8(4) . . . . ?
O2 C8 C9 F10 77.0(4) . . . . ?
O2 C8 C9 F11 -42.4(5) . . . . ?
O2 C8 C9 F12 -161.8(4) . . . . ?
O2 C8 C10 F13 -163.4(4) . . . . ?
O2 C8 C10 F14 76.5(4) . . . . ?
O2 C8 C10 F15 -42.3(5) . . . . ?
O2 C8 C11 F16 -170.1(4) . . . . ?
O2 C8 C11 F17 69.8(4) . . . . ?
O2 C8 C11 F18 -48.9(5) . . . . ?
O2 C8 C9A F10A 38.8(18) . . . . ?
O2 C8 C9A F11A -81.3(12) . . . . ?
O2 C8 C9A F12A 162.5(16) . . . . ?
O2 C8 C10A F13A 163.2(13) . . . . ?
O2 C8 C10A F14A 43.2(18) . . . . ?
O2 C8 C10A F15A -77.8(14) . . . . ?
O2 C8 C11A F16A 172.1(13) . . . . ?
O2 C8 C11A F17A 55.4(18) . . . . ?
O2 C8 C11A F18A -64.8(14) . . . . ?
O3 C15 C16 F19 75.2(7) . . . . ?
O3 C15 C16 F20 -44.2(8) . . . . ?
O3 C15 C16 F21 -162.9(6) . . . . ?
O3 C15 C17 F22 -162.5(5) . . . . ?
O3 C15 C17 F23 77.4(5) . . . . ?
O3 C15 C17 F24 -39.4(9) . . . . ?
O3 C15 C18 F25 -165.4(5) . . . . ?
O3 C15 C18 F26 72.0(7) . . . . ?
O3 C15 C18 F27 -47.2(6) . . . . ?
O3 C15 C16A F19A 55.0(12) . . . . ?
O3 C15 C16A F20A -65.4(11) . . . . ?
O3 C15 C16A F21A 173.5(8) . . . . ?
O3 C15 C17A F22A 160.4(7) . . . . ?
O3 C15 C17A F23A 37.2(8) . . . . ?
O3 C15 C17A F24A -79.4(9) . . . . ?
O3 C15 C18A F25A 160.2(10) . . . . ?
O3 C15 C18A F26A 39.5(13) . . . . ?
O3 C15 C18A F27A -79.0(8) . . . . ?
C2 C1 C3 F4 41.4(4) . . . . ?
C2 C1 C3 F5 -79.5(4) . . . . ?
C2 C1 C3 F6 161.7(3) . . . . ?
C2 C1 C4 F7 46.8(4) . . . . ?
C2 C1 C4 F8 -74.6(4) . . . . ?
C2 C1 C4 F9 164.4(3) . . . . ?
C3 C1 C2 F1 163.9(3) . . . . ?
C3 C1 C2 F2 45.0(4) . . . . ?
C3 C1 C2 F3 -75.7(4) . . . . ?
C3 C1 C4 F7 165.2(3) . . . . ?
C3 C1 C4 F8 43.7(4) . . . . ?
C3 C1 C4 F9 -77.3(4) . . . . ?
C4 C1 C2 F1 -78.6(4) . . . . ?
C4 C1 C2 F2 162.4(3) . . . . ?
C4 C1 C2 F3 41.8(4) . . . . ?
C4 C1 C3 F4 -75.6(4) . . . . ?
C4 C1 C3 F5 163.5(3) . . . . ?
C4 C1 C3 F6 44.7(4) . . . . ?
C9 C8 C10 F13 73.2(5) . . . . ?
C9 C8 C10 F14 -47.0(5) . . . . ?
C9 C8 C10 F15 -165.7(4) . . . . ?
C9 C8 C11 F16 -46.0(5) . . . . ?
C9 C8 C11 F17 -166.1(3) . . . . ?
C9 C8 C11 F18 75.3(5) . . . . ?
C10 C8 C9 F10 -163.2(3) . . . . ?
C10 C8 C9 F11 77.4(5) . . . . ?
C10 C8 C9 F12 -42.0(5) . . . . ?
C10 C8 C11 F16 72.0(5) . . . . ?
C10 C8 C11 F17 -48.1(5) . . . . ?
C10 C8 C11 F18 -166.8(4) . . . . ?
C11 C8 C9 F10 -45.4(5) . . . . ?
C11 C8 C9 F11 -164.7(4) . . . . ?
C11 C8 C9 F12 75.9(4) . . . . ?
C11 C8 C10 F13 -43.5(5) . . . . ?
C11 C8 C10 F14 -163.7(4) . . . . ?
C11 C8 C10 F15 77.5(5) . . . . ?
C16 C15 C17 F22 72.6(6) . . . . ?
C16 C15 C17 F23 -47.5(6) . . . . ?
C16 C15 C17 F24 -164.3(8) . . . . ?
C16 C15 C18 F25 -39.8(6) . . . . ?
C16 C15 C18 F26 -162.4(7) . . . . ?
C16 C15 C18 F27 78.4(6) . . . . ?
C17 C15 C16 F19 -161.7(7) . . . . ?
C17 C15 C16 F20 79.0(8) . . . . ?
C17 C15 C16 F21 -39.8(7) . . . . ?
C17 C15 C18 F25 75.6(6) . . . . ?
C17 C15 C18 F26 -47.0(8) . . . . ?
C17 C15 C18 F27 -166.2(5) . . . . ?
C18 C15 C16 F19 -47.4(7) . . . . ?
C18 C15 C16 F20 -166.8(7) . . . . ?
C18 C15 C16 F21 74.5(7) . . . . ?
C18 C15 C17 F22 -45.0(6) . . . . ?
C18 C15 C17 F23 -165.2(5) . . . . ?
C18 C15 C17 F24 78.0(9) . . . . ?
C9A C8 C10A F13A 41.9(17) . . . . ?
C9A C8 C10A F14A -78.1(18) . . . . ?
C9A C8 C10A F15A 160.9(13) . . . . ?
C9A C8 C11A F16A -77.6(16) . . . . ?
C9A C8 C11A F17A 165.6(19) . . . . ?
C9A C8 C11A F18A 45.4(15) . . . . ?
C10A C8 C9A F10A 167.7(19) . . . . ?
C10A C8 C9A F11A 47.6(15) . . . . ?
C10A C8 C9A F12A -68.6(18) . . . . ?
C10A C8 C11A F16A 40.7(17) . . . . ?
C10A C8 C11A F17A -76.1(19) . . . . ?
C10A C8 C11A F18A 163.7(13) . . . . ?
C11A C8 C9A F10A -72.5(19) . . . . ?
C11A C8 C9A F11A 167.4(12) . . . . ?
C11A C8 C9A F12A 51.2(17) . . . . ?
C11A C8 C10A F13A -71.6(17) . . . . ?
C11A C8 C10A F14A 168.4(18) . . . . ?
C11A C8 C10A F15A 47.4(15) . . . . ?
C16A C15 C17A F22A 42.5(9) . . . . ?
C16A C15 C17A F23A -80.7(8) . . . . ?
C16A C15 C17A F24A 162.7(9) . . . . ?
C16A C15 C18A F25A -73.8(11) . . . . ?
C16A C15 C18A F26A 165.4(12) . . . . ?
C16A C15 C18A F27A 47.0(9) . . . . ?
C17A C15 C16A F19A 170.0(12) . . . . ?
C17A C15 C16A F20A 49.7(11) . . . . ?
C17A C15 C16A F21A -71.4(10) . . . . ?
C17A C15 C18A F25A 45.1(11) . . . . ?
C17A C15 C18A F26A -75.6(13) . . . . ?
C17A C15 C18A F27A 166.0(7) . . . . ?
C18A C15 C16A F19A -73.8(12) . . . . ?
C18A C15 C16A F20A 165.9(10) . . . . ?
C18A C15 C16A F21A 44.8(11) . . . . ?
C18A C15 C17A F22A -78.0(8) . . . . ?
C18A C15 C17A F23A 158.8(8) . . . . ?
C18A C15 C17A F24A 42.2(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au_pftb_PtBu3
_database_code_depnum_ccdc_archive 'CCDC 2503051'
loop_
_audit_author_name
_audit_author_address
'Nick Hoffman'
;McMaster University
Canada
;
_audit_update_record             
;
2025-11-14 deposited with the CCDC.	2025-12-16 downloaded from the CCDC.
;
_audit_creation_date             2025-11-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H27 Au F9 O P'
_chemical_formula_sum            'C16 H27 Au F9 O P'
_chemical_formula_weight         634.31
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      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                   8.841(3)
_cell_length_b                   10.7170(12)
_cell_length_c                   12.075(3)
_cell_angle_alpha                85.65(3)
_cell_angle_beta                 71.233(12)
_cell_angle_gamma                88.650(10)
_cell_volume                     1080.2(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5273
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.15
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   0.543
_shelx_estimated_absorpt_T_min   0.167
_exptl_absorpt_coefficient_mu    6.963
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.5674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0673 before and 0.0205 after correction.
The Ratio of minimum to maximum transmission is 0.7603.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             612
_exptl_crystal_preparation       'Vapour diffusion hexanes/DCM'
_exptl_crystal_recrystallization_method 'Vapour diffusion hexanes/DCM'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0153
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13489
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_min         1.906
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
448 frames, detector distance = 100.0 mm
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5627
_reflns_number_total             6029
_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       'SAINT V8.40B (2, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (2, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.781
_refine_diff_density_min         -1.380
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         6029
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0183
_refine_ls_R_factor_gt           0.0165
_refine_ls_restrained_S_all      1.073
_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)+(0.0093P)²+1.1899P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0335
_refine_ls_wR_factor_ref         0.0337
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C16(H16A,H16B,H16C)
;
_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 0.73661(2) 0.68154(2) 0.44119(2) 0.01196(2) Uani 1 1 d . . . . .
P1 P 0.65740(6) 0.69696(5) 0.63483(5) 0.01100(10) Uani 1 1 d . . . . .
F1 F 0.8698(2) 0.93490(13) 0.27377(14) 0.0342(4) Uani 1 1 d . . . . .
F2 F 1.0363(2) 0.92409(14) 0.09924(14) 0.0343(4) Uani 1 1 d . . . . .
F3 F 1.06557(19) 0.80567(15) 0.24291(14) 0.0321(3) Uani 1 1 d . . . . .
F4 F 0.59408(18) 0.84447(14) 0.26022(13) 0.0312(3) Uani 1 1 d . . . . .
F5 F 0.62346(17) 0.73701(14) 0.11138(14) 0.0287(3) Uani 1 1 d . . . . .
F6 F 0.73017(18) 0.91986(13) 0.08703(14) 0.0294(3) Uani 1 1 d . . . . .
F7 F 0.96329(17) 0.76151(14) -0.03471(12) 0.0261(3) Uani 1 1 d . . . . .
F8 F 0.87222(18) 0.58407(13) 0.05461(13) 0.0283(3) Uani 1 1 d . . . . .
F9 F 1.09122(16) 0.65623(15) 0.06600(13) 0.0284(3) Uani 1 1 d . . . . .
O1 O 0.81000(19) 0.66088(13) 0.26511(13) 0.0176(3) Uani 1 1 d . . . . .
C1 C 0.8501(2) 0.75237(19) 0.17699(18) 0.0136(4) Uani 1 1 d . . . . .
C2 C 0.9574(3) 0.8560(2) 0.1970(2) 0.0231(5) Uani 1 1 d . . . . .
C3 C 0.6987(3) 0.8147(2) 0.1580(2) 0.0202(5) Uani 1 1 d . . . . .
C4 C 0.9450(3) 0.6880(2) 0.0638(2) 0.0186(4) Uani 1 1 d . . . . .
C5 C 0.7731(3) 0.8298(2) 0.6644(2) 0.0163(4) Uani 1 1 d . . . . .
C6 C 0.7129(3) 0.9556(2) 0.6239(2) 0.0227(5) Uani 1 1 d . . . . .
H6A H 0.714084 0.952881 0.542666 0.034 Uiso 1 1 calc R U . . .
H6B H 0.782636 1.023261 0.628703 0.034 Uiso 1 1 calc R U . . .
H6C H 0.603628 0.970576 0.674516 0.034 Uiso 1 1 calc R U . . .
C7 C 0.9501(3) 0.8228(2) 0.5871(2) 0.0232(5) Uani 1 1 d . . . . .
H7A H 0.998809 0.746969 0.611403 0.035 Uiso 1 1 calc R U . . .
H7B H 1.007316 0.896543 0.596229 0.035 Uiso 1 1 calc R U . . .
H7C H 0.956309 0.820435 0.504820 0.035 Uiso 1 1 calc R U . . .
C8 C 0.7638(3) 0.8330(2) 0.7929(2) 0.0279(5) Uani 1 1 d . . . . .
H8A H 0.651615 0.836918 0.842123 0.042 Uiso 1 1 calc R U . . .
H8B H 0.820567 0.906911 0.802244 0.042 Uiso 1 1 calc R U . . .
H8C H 0.813090 0.757295 0.816785 0.042 Uiso 1 1 calc R U . . .
C9 C 0.7000(3) 0.5443(2) 0.7094(2) 0.0165(4) Uani 1 1 d . . . . .
C10 C 0.8805(3) 0.5329(2) 0.6892(2) 0.0253(5) Uani 1 1 d . . . . .
H10A H 0.939166 0.551360 0.605859 0.038 Uiso 1 1 calc R U . . .
H10B H 0.905243 0.447547 0.713434 0.038 Uiso 1 1 calc R U . . .
H10C H 0.912063 0.592356 0.735557 0.038 Uiso 1 1 calc R U . . .
C11 C 0.6563(3) 0.4340(2) 0.6503(2) 0.0234(5) Uani 1 1 d . . . . .
H11A H 0.541726 0.436517 0.660511 0.035 Uiso 1 1 calc R U . . .
H11B H 0.682196 0.354928 0.686348 0.035 Uiso 1 1 calc R U . . .
H11C H 0.717189 0.440681 0.566410 0.035 Uiso 1 1 calc R U . . .
C12 C 0.6114(3) 0.5293(2) 0.8424(2) 0.0225(5) Uani 1 1 d . . . . .
H12A H 0.638026 0.599631 0.880123 0.034 Uiso 1 1 calc R U . . .
H12B H 0.644078 0.450725 0.875282 0.034 Uiso 1 1 calc R U . . .
H12C H 0.495955 0.527820 0.856486 0.034 Uiso 1 1 calc R U . . .
C13 C 0.4359(2) 0.7332(2) 0.6860(2) 0.0158(4) Uani 1 1 d . . . . .
C14 C 0.3736(3) 0.7849(2) 0.8078(2) 0.0248(5) Uani 1 1 d . . . . .
H14A H 0.401725 0.727131 0.864982 0.037 Uiso 1 1 calc R U . . .
H14B H 0.257233 0.793780 0.830966 0.037 Uiso 1 1 calc R U . . .
H14C H 0.422199 0.866814 0.805097 0.037 Uiso 1 1 calc R U . . .
C15 C 0.3420(3) 0.6142(2) 0.6874(2) 0.0242(5) Uani 1 1 d . . . . .
H15A H 0.386159 0.576774 0.612010 0.036 Uiso 1 1 calc R U . . .
H15B H 0.229502 0.635486 0.700279 0.036 Uiso 1 1 calc R U . . .
H15C H 0.350340 0.554349 0.750622 0.036 Uiso 1 1 calc R U . . .
C16 C 0.3980(3) 0.8274(2) 0.5951(2) 0.0229(5) Uani 1 1 d . . . . .
H16A H 0.453075 0.906594 0.591607 0.034 Uiso 1 1 calc R U . . .
H16B H 0.282520 0.841881 0.618361 0.034 Uiso 1 1 calc R U . . .
H16C H 0.434417 0.793353 0.517851 0.034 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 2.2326(7) . ?
Au1 O1 2.0415(16) . ?
P1 C5 1.893(2) . ?
P1 C9 1.896(2) . ?
P1 C13 1.895(2) . ?
F1 C2 1.342(3) . ?
F2 C2 1.333(3) . ?
F3 C2 1.336(3) . ?
F4 C3 1.338(3) . ?
F5 C3 1.339(3) . ?
F6 C3 1.341(3) . ?
F7 C4 1.342(3) . ?
F8 C4 1.328(3) . ?
F9 C4 1.337(3) . ?
O1 C1 1.354(2) . ?
C1 C2 1.559(3) . ?
C1 C3 1.556(3) . ?
C1 C4 1.558(3) . ?
C5 C6 1.541(3) . ?
C5 C7 1.546(3) . ?
C5 C8 1.531(3) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.539(3) . ?
C9 C11 1.543(3) . ?
C9 C12 1.542(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.537(3) . ?
C13 C15 1.534(3) . ?
C13 C16 1.545(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Au1 P1 178.00(4) . . ?
C5 P1 Au1 107.63(8) . . ?
C5 P1 C9 110.51(10) . . ?
C5 P1 C13 110.09(10) . . ?
C9 P1 Au1 109.33(8) . . ?
C13 P1 Au1 108.33(7) . . ?
C13 P1 C9 110.86(10) . . ?
C1 O1 Au1 127.51(13) . . ?
O1 C1 C2 113.15(18) . . ?
O1 C1 C3 111.14(18) . . ?
O1 C1 C4 106.51(17) . . ?
C3 C1 C2 108.87(18) . . ?
C3 C1 C4 108.44(17) . . ?
C4 C1 C2 108.58(18) . . ?
F1 C2 C1 110.8(2) . . ?
F2 C2 F1 107.51(19) . . ?
F2 C2 F3 107.4(2) . . ?
F2 C2 C1 113.52(19) . . ?
F3 C2 F1 106.5(2) . . ?
F3 C2 C1 110.72(18) . . ?
F4 C3 F5 106.87(19) . . ?
F4 C3 F6 107.12(18) . . ?
F4 C3 C1 110.75(19) . . ?
F5 C3 F6 107.00(19) . . ?
F5 C3 C1 111.29(18) . . ?
F6 C3 C1 113.49(18) . . ?
F7 C4 C1 113.04(18) . . ?
F8 C4 F7 107.36(18) . . ?
F8 C4 F9 107.57(19) . . ?
F8 C4 C1 111.03(18) . . ?
F9 C4 F7 107.16(18) . . ?
F9 C4 C1 110.45(18) . . ?
C6 C5 P1 109.54(15) . . ?
C6 C5 C7 104.75(18) . . ?
C7 C5 P1 109.60(15) . . ?
C8 C5 P1 114.17(16) . . ?
C8 C5 C6 109.00(19) . . ?
C8 C5 C7 109.36(19) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P1 109.52(15) . . ?
C10 C9 C11 105.85(19) . . ?
C10 C9 C12 108.42(19) . . ?
C11 C9 P1 109.15(15) . . ?
C12 C9 P1 114.29(15) . . ?
C12 C9 C11 109.27(19) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 114.44(16) . . ?
C14 C13 C16 109.30(19) . . ?
C15 C13 P1 109.24(15) . . ?
C15 C13 C14 108.74(19) . . ?
C15 C13 C16 105.61(19) . . ?
C16 C13 P1 109.14(15) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C5 C6 71.53(16) . . . . ?
Au1 P1 C5 C7 -42.87(16) . . . . ?
Au1 P1 C5 C8 -165.93(15) . . . . ?
Au1 P1 C9 C10 73.88(17) . . . . ?
Au1 P1 C9 C11 -41.57(17) . . . . ?
Au1 P1 C9 C12 -164.26(14) . . . . ?
Au1 P1 C13 C14 -162.60(15) . . . . ?
Au1 P1 C13 C15 75.23(17) . . . . ?
Au1 P1 C13 C16 -39.78(16) . . . . ?
Au1 O1 C1 C2 43.8(2) . . . . ?
Au1 O1 C1 C3 -79.1(2) . . . . ?
Au1 O1 C1 C4 163.01(13) . . . . ?
O1 C1 C2 F1 -78.0(2) . . . . ?
O1 C1 C2 F2 160.88(19) . . . . ?
O1 C1 C2 F3 39.9(3) . . . . ?
O1 C1 C3 F4 48.1(2) . . . . ?
O1 C1 C3 F5 -70.6(2) . . . . ?
O1 C1 C3 F6 168.67(17) . . . . ?
O1 C1 C4 F7 166.62(18) . . . . ?
O1 C1 C4 F8 45.9(2) . . . . ?
O1 C1 C4 F9 -73.3(2) . . . . ?
C2 C1 C3 F4 -77.1(2) . . . . ?
C2 C1 C3 F5 164.14(18) . . . . ?
C2 C1 C3 F6 43.4(2) . . . . ?
C2 C1 C4 F7 -71.2(2) . . . . ?
C2 C1 C4 F8 168.06(18) . . . . ?
C2 C1 C4 F9 48.8(2) . . . . ?
C3 C1 C2 F1 46.1(2) . . . . ?
C3 C1 C2 F2 -75.0(2) . . . . ?
C3 C1 C2 F3 164.05(19) . . . . ?
C3 C1 C4 F7 46.9(2) . . . . ?
C3 C1 C4 F8 -73.8(2) . . . . ?
C3 C1 C4 F9 166.97(18) . . . . ?
C4 C1 C2 F1 163.97(18) . . . . ?
C4 C1 C2 F2 42.9(3) . . . . ?
C4 C1 C2 F3 -78.1(2) . . . . ?
C4 C1 C3 F4 164.89(18) . . . . ?
C4 C1 C3 F5 46.2(2) . . . . ?
C4 C1 C3 F6 -74.6(2) . . . . ?
C5 P1 C9 C10 -44.41(19) . . . . ?
C5 P1 C9 C11 -159.86(15) . . . . ?
C5 P1 C9 C12 77.45(18) . . . . ?
C5 P1 C13 C14 -45.15(19) . . . . ?
C5 P1 C13 C15 -167.32(16) . . . . ?
C5 P1 C13 C16 77.67(17) . . . . ?
C9 P1 C5 C6 -169.15(15) . . . . ?
C9 P1 C5 C7 76.45(18) . . . . ?
C9 P1 C5 C8 -46.6(2) . . . . ?
C9 P1 C13 C14 77.43(18) . . . . ?
C9 P1 C13 C15 -44.73(19) . . . . ?
C9 P1 C13 C16 -159.75(15) . . . . ?
C13 P1 C5 C6 -46.35(18) . . . . ?
C13 P1 C5 C7 -160.76(15) . . . . ?
C13 P1 C5 C8 76.19(19) . . . . ?
C13 P1 C9 C10 -166.75(16) . . . . ?
C13 P1 C9 C11 77.80(17) . . . . ?
C13 P1 C9 C12 -44.89(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au_hfac_PiPr3
_database_code_depnum_ccdc_archive 'CCDC 2505331'
loop_
_audit_author_name
_audit_author_address
'Nick Hoffman'
;McMaster University
Canada
;
_audit_update_record             
;
2025-11-24 deposited with the CCDC.	2025-12-16 downloaded from the CCDC.
;
_audit_creation_date             2025-11-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H22 Au F6 O2 P'
_chemical_formula_sum            'C14 H22 Au F6 O2 P'
_chemical_formula_weight         564.25
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Au Au -2.0133 8.8022 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.968(4)
_cell_length_b                   15.365(7)
_cell_length_c                   24.734(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3788(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7047
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      24.593
_cell_measurement_theta_min      2.571
_shelx_estimated_absorpt_T_max   0.648
_shelx_estimated_absorpt_T_min   0.505
_exptl_absorpt_coefficient_mu    7.911
_exptl_absorpt_correction_T_max  0.2505
_exptl_absorpt_correction_T_min  0.1805
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1371 before and 0.1048 after correction.
The Ratio of minimum to maximum transmission is 0.7206.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1551
_diffrn_reflns_av_unetI/netI     0.0823
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            66006
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.814
_diffrn_reflns_theta_min         2.571
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Dual Source D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3500
_reflns_number_total             4915
_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       'SAINT V8.40B (2, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (2, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.068
_refine_diff_density_min         -1.938
_refine_diff_density_rms         0.243
_refine_ls_extinction_coef       0.00115(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         4915
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0547
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0298P)²+22.7011P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1117
_refine_ls_wR_factor_ref         0.1250
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C6(H6), C9(H9), C12(H12)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C)
;
_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 0.69161(3) 0.56792(2) 0.61565(2) 0.02630(13) Uani 1 1 d . . . . .
P1 P 0.48518(19) 0.54261(13) 0.65198(8) 0.0241(4) Uani 1 1 d . . . . .
F1 F 0.8008(7) 0.7121(4) 0.5191(2) 0.0660(19) Uani 1 1 d . . . . .
F2 F 1.0026(7) 0.7495(6) 0.5216(4) 0.097(3) Uani 1 1 d . . . . .
F3 F 0.8612(10) 0.8140(5) 0.5695(4) 0.107(3) Uani 1 1 d . . . . .
F4 F 0.8948(7) 0.4163(4) 0.5444(3) 0.0624(18) Uani 1 1 d . . . . .
F5 F 0.9156(12) 0.3630(5) 0.6225(3) 0.102(3) Uani 1 1 d . . . . .
F6 F 1.0875(7) 0.3987(6) 0.5782(4) 0.109(3) Uani 1 1 d . . . . .
O1 O 0.9815(7) 0.7028(5) 0.6377(3) 0.0501(17) Uani 1 1 d . . . . .
O2 O 1.0224(6) 0.5182(5) 0.6590(2) 0.0455(16) Uani 1 1 d . . . . .
C1 C 0.8956(7) 0.5824(5) 0.5872(3) 0.0265(17) Uani 1 1 d . . . . .
H1 H 0.899284 0.570515 0.547521 0.032 Uiso 1 1 calc R U . . .
C2 C 0.9289(9) 0.6729(6) 0.5973(3) 0.038(2) Uani 1 1 d . . . . .
C3 C 0.8943(10) 0.7379(6) 0.5519(4) 0.045(2) Uani 1 1 d . . . . .
C4 C 0.9649(7) 0.5151(6) 0.6158(3) 0.0326(18) Uani 1 1 d . . . . .
C5 C 0.9650(9) 0.4225(6) 0.5905(4) 0.042(2) Uani 1 1 d . . . . .
C6 C 0.3442(9) 0.5660(7) 0.6067(3) 0.038(2) Uani 1 1 d . . . . .
H6 H 0.258767 0.548566 0.624892 0.045 Uiso 1 1 calc R U . . .
C7 C 0.3594(11) 0.5141(9) 0.5544(4) 0.060(3) Uani 1 1 d . . . . .
H7A H 0.439345 0.533971 0.534931 0.089 Uiso 1 1 calc R U . . .
H7B H 0.279926 0.522795 0.531699 0.089 Uiso 1 1 calc R U . . .
H7C H 0.368639 0.452097 0.562993 0.089 Uiso 1 1 calc R U . . .
C8 C 0.3385(10) 0.6639(8) 0.5937(5) 0.061(3) Uani 1 1 d . . . . .
H8A H 0.330372 0.697109 0.627350 0.091 Uiso 1 1 calc R U . . .
H8B H 0.260773 0.675825 0.570563 0.091 Uiso 1 1 calc R U . . .
H8C H 0.420761 0.681202 0.574798 0.091 Uiso 1 1 calc R U . . .
C9 C 0.4646(8) 0.6033(5) 0.7155(3) 0.0295(17) Uani 1 1 d . . . . .
H9 H 0.520092 0.572187 0.743059 0.035 Uiso 1 1 calc R U . . .
C10 C 0.3220(10) 0.6039(7) 0.7372(4) 0.048(2) Uani 1 1 d . . . . .
H10A H 0.264641 0.638131 0.713060 0.072 Uiso 1 1 calc R U . . .
H10B H 0.321137 0.629765 0.773400 0.072 Uiso 1 1 calc R U . . .
H10C H 0.288236 0.544041 0.739127 0.072 Uiso 1 1 calc R U . . .
C11 C 0.5197(9) 0.6972(6) 0.7129(4) 0.041(2) Uani 1 1 d . . . . .
H11A H 0.608199 0.696859 0.695631 0.061 Uiso 1 1 calc R U . . .
H11B H 0.527565 0.720626 0.749597 0.061 Uiso 1 1 calc R U . . .
H11C H 0.458278 0.733605 0.691790 0.061 Uiso 1 1 calc R U . . .
C12 C 0.4782(8) 0.4251(5) 0.6668(3) 0.0304(17) Uani 1 1 d . . . . .
H12 H 0.493860 0.394550 0.631697 0.036 Uiso 1 1 calc R U . . .
C13 C 0.3446(9) 0.3895(7) 0.6893(5) 0.047(2) Uani 1 1 d . . . . .
H13A H 0.333888 0.407966 0.726988 0.071 Uiso 1 1 calc R U . . .
H13B H 0.345082 0.325763 0.687513 0.071 Uiso 1 1 calc R U . . .
H13C H 0.269886 0.412086 0.667705 0.071 Uiso 1 1 calc R U . . .
C14 C 0.5922(9) 0.3979(6) 0.7041(4) 0.038(2) Uani 1 1 d . . . . .
H14A H 0.676892 0.421861 0.690564 0.057 Uiso 1 1 calc R U . . .
H14B H 0.597933 0.334235 0.705079 0.057 Uiso 1 1 calc R U . . .
H14C H 0.575144 0.420025 0.740600 0.057 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 2.279(2) . ?
Au1 C1 2.163(7) . ?
P1 C6 1.833(9) . ?
P1 C9 1.838(8) . ?
P1 C12 1.844(9) . ?
F1 C3 1.299(11) . ?
F2 C3 1.327(12) . ?
F3 C3 1.290(11) . ?
F4 C5 1.342(11) . ?
F5 C5 1.306(12) . ?
F6 C5 1.310(11) . ?
O1 C2 1.217(10) . ?
O2 C4 1.213(10) . ?
C1 H1 1.0000 . ?
C1 C2 1.451(12) . ?
C1 C4 1.430(12) . ?
C2 C3 1.541(14) . ?
C4 C5 1.555(13) . ?
C6 H6 1.0000 . ?
C6 C7 1.528(13) . ?
C6 C8 1.539(14) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9 1.0000 . ?
C9 C10 1.520(12) . ?
C9 C11 1.544(12) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 1.0000 . ?
C12 C13 1.544(11) . ?
C12 C14 1.521(11) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 P1 174.1(2) . . ?
C6 P1 Au1 114.7(3) . . ?
C6 P1 C9 109.7(4) . . ?
C6 P1 C12 106.6(4) . . ?
C9 P1 Au1 110.5(3) . . ?
C9 P1 C12 108.8(4) . . ?
C12 P1 Au1 106.2(3) . . ?
Au1 C1 H1 109.6 . . ?
C2 C1 Au1 105.0(5) . . ?
C2 C1 H1 109.6 . . ?
C4 C1 Au1 102.7(5) . . ?
C4 C1 H1 109.6 . . ?
C4 C1 C2 119.8(7) . . ?
O1 C2 C1 126.9(9) . . ?
O1 C2 C3 116.7(9) . . ?
C1 C2 C3 116.4(7) . . ?
F1 C3 F2 105.7(9) . . ?
F1 C3 C2 114.7(8) . . ?
F2 C3 C2 108.5(8) . . ?
F3 C3 F1 107.7(9) . . ?
F3 C3 F2 106.1(10) . . ?
F3 C3 C2 113.6(9) . . ?
O2 C4 C1 129.4(9) . . ?
O2 C4 C5 112.9(8) . . ?
C1 C4 C5 117.6(7) . . ?
F4 C5 C4 114.0(7) . . ?
F5 C5 F4 105.6(9) . . ?
F5 C5 F6 107.3(10) . . ?
F5 C5 C4 113.3(8) . . ?
F6 C5 F4 105.6(9) . . ?
F6 C5 C4 110.5(8) . . ?
P1 C6 H6 109.0 . . ?
C7 C6 P1 109.8(7) . . ?
C7 C6 H6 109.0 . . ?
C7 C6 C8 109.7(9) . . ?
C8 C6 P1 110.4(7) . . ?
C8 C6 H6 109.0 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P1 C9 H9 106.2 . . ?
C10 C9 P1 114.1(6) . . ?
C10 C9 H9 106.2 . . ?
C10 C9 C11 110.0(7) . . ?
C11 C9 P1 113.5(6) . . ?
C11 C9 H9 106.2 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P1 C12 H12 106.3 . . ?
C13 C12 P1 116.8(6) . . ?
C13 C12 H12 106.3 . . ?
C14 C12 P1 111.2(6) . . ?
C14 C12 H12 106.3 . . ?
C14 C12 C13 109.2(7) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C6 C7 56.2(8) . . . . ?
Au1 P1 C6 C8 -64.9(7) . . . . ?
Au1 P1 C9 C10 169.3(6) . . . . ?
Au1 P1 C9 C11 42.2(7) . . . . ?
Au1 P1 C12 C13 -176.9(6) . . . . ?
Au1 P1 C12 C14 56.8(6) . . . . ?
Au1 C1 C2 O1 91.6(9) . . . . ?
Au1 C1 C2 C3 -88.5(7) . . . . ?
Au1 C1 C4 O2 -91.7(9) . . . . ?
Au1 C1 C4 C5 85.8(7) . . . . ?
O1 C2 C3 F1 -157.4(9) . . . . ?
O1 C2 C3 F2 84.7(11) . . . . ?
O1 C2 C3 F3 -33.0(13) . . . . ?
O2 C4 C5 F4 176.0(8) . . . . ?
O2 C4 C5 F5 55.2(11) . . . . ?
O2 C4 C5 F6 -65.2(11) . . . . ?
C1 C2 C3 F1 22.7(12) . . . . ?
C1 C2 C3 F2 -95.2(10) . . . . ?
C1 C2 C3 F3 147.1(9) . . . . ?
C1 C4 C5 F4 -1.9(11) . . . . ?
C1 C4 C5 F5 -122.7(9) . . . . ?
C1 C4 C5 F6 116.9(9) . . . . ?
C2 C1 C4 O2 24.0(13) . . . . ?
C2 C1 C4 C5 -158.5(7) . . . . ?
C4 C1 C2 O1 -22.9(13) . . . . ?
C4 C1 C2 C3 157.0(7) . . . . ?
C6 P1 C9 C10 41.8(8) . . . . ?
C6 P1 C9 C11 -85.3(7) . . . . ?
C6 P1 C12 C13 -54.2(7) . . . . ?
C6 P1 C12 C14 179.6(6) . . . . ?
C9 P1 C6 C7 -178.7(7) . . . . ?
C9 P1 C6 C8 60.2(7) . . . . ?
C9 P1 C12 C13 64.1(7) . . . . ?
C9 P1 C12 C14 -62.2(7) . . . . ?
C12 P1 C6 C7 -61.1(8) . . . . ?
C12 P1 C6 C8 177.9(7) . . . . ?
C12 P1 C9 C10 -74.4(7) . . . . ?
C12 P1 C9 C11 158.5(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au_pftb_PiPr3
_database_code_depnum_ccdc_archive 'CCDC 2503050'
loop_
_audit_author_name
_audit_author_address
'Nick Hoffman'
;McMaster University
Canada
;
_audit_update_record             
;
2025-11-14 deposited with the CCDC.	2025-12-16 downloaded from the CCDC.
;
_audit_creation_date             2025-11-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        Au(pftb)(PiPr3)
_chemical_formula_moiety         'C13 H21 Au F9 O P'
_chemical_formula_sum            'C13 H21 Au F9 O P'
_chemical_formula_weight         592.23
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.328(2)
_cell_length_b                   17.503(2)
_cell_length_c                   14.509(4)
_cell_angle_alpha                90
_cell_angle_beta                 92.614(15)
_cell_angle_gamma                90
_cell_volume                     1858.8(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5560
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.70
_cell_measurement_theta_min      2.72
_shelx_estimated_absorpt_T_max   0.601
_shelx_estimated_absorpt_T_min   0.340
_exptl_absorpt_coefficient_mu    8.085
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.5707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0742 before and 0.0255 after correction.
The Ratio of minimum to maximum transmission is 0.7646.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.116
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21050
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.574
_diffrn_reflns_theta_min         2.327
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
452 frames, detector distance = 100.0 mm
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4491
_reflns_number_total             5156
_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       'SAINT V8.40B (2, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (2, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.618
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         5156
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0199
_refine_ls_R_factor_gt           0.0153
_refine_ls_restrained_S_all      1.013
_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)+(0.0159P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0306
_refine_ls_wR_factor_ref         0.0314
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C5(H5), C8(H8), C11(H11)
2.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C)
;
_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 0.32799(2) 0.39545(2) 0.35585(2) 0.01213(2) Uani 1 1 d . . . . .
P1 P 0.55374(7) 0.46427(3) 0.30000(3) 0.01142(9) Uani 1 1 d . . . . .
F1 F 0.2241(2) 0.24166(8) 0.57962(9) 0.0331(3) Uani 1 1 d . . . . .
F2 F 0.42414(17) 0.25559(8) 0.47743(10) 0.0311(3) Uani 1 1 d . . . . .
F3 F 0.27787(19) 0.14974(7) 0.48583(10) 0.0324(3) Uani 1 1 d . . . . .
F4 F -0.11530(17) 0.28535(7) 0.53294(8) 0.0221(3) Uani 1 1 d . . . . .
F5 F -0.09647(17) 0.16813(6) 0.48949(9) 0.0247(3) Uani 1 1 d . . . . .
F6 F -0.21231(16) 0.25315(7) 0.39657(9) 0.0228(3) Uani 1 1 d . . . . .
F7 F 0.06019(18) 0.14676(7) 0.32844(9) 0.0275(3) Uani 1 1 d . . . . .
F8 F 0.29940(17) 0.21449(7) 0.30466(9) 0.0240(3) Uani 1 1 d . . . . .
F9 F 0.03399(19) 0.25659(7) 0.26248(9) 0.0273(3) Uani 1 1 d . . . . .
O1 O 0.12261(18) 0.33600(7) 0.41576(9) 0.0140(3) Uani 1 1 d . . . . .
C1 C 0.1113(3) 0.25893(10) 0.42374(13) 0.0129(4) Uani 1 1 d . . . . .
C2 C 0.2613(3) 0.22596(12) 0.49255(16) 0.0218(4) Uani 1 1 d . . . . .
C3 C 0.1247(3) 0.21855(11) 0.32864(15) 0.0180(4) Uani 1 1 d . . . . .
C4 C -0.0800(3) 0.24080(11) 0.46156(14) 0.0163(4) Uani 1 1 d . . . . .
C5 C 0.6797(3) 0.51072(10) 0.39738(13) 0.0129(4) Uani 1 1 d . . . . .
H5 H 0.587757 0.541046 0.430771 0.016 Uiso 1 1 calc R U . . .
C6 C 0.7563(3) 0.45125(11) 0.46606(14) 0.0164(4) Uani 1 1 d . . . . .
H6A H 0.661271 0.413750 0.478574 0.025 Uiso 1 1 calc R U . . .
H6B H 0.796312 0.476664 0.523690 0.025 Uiso 1 1 calc R U . . .
H6C H 0.860518 0.425228 0.439922 0.025 Uiso 1 1 calc R U . . .
C7 C 0.8283(3) 0.56694(12) 0.37145(14) 0.0204(4) Uani 1 1 d . . . . .
H7A H 0.925385 0.539370 0.341174 0.031 Uiso 1 1 calc R U . . .
H7B H 0.879314 0.591949 0.427308 0.031 Uiso 1 1 calc R U . . .
H7C H 0.775565 0.605587 0.329231 0.031 Uiso 1 1 calc R U . . .
C8 C 0.4753(3) 0.54144(11) 0.22146(14) 0.0175(4) Uani 1 1 d . . . . .
H8 H 0.585715 0.567206 0.197877 0.021 Uiso 1 1 calc R U . . .
C9 C 0.3662(3) 0.60107(12) 0.27272(17) 0.0251(5) Uani 1 1 d . . . . .
H9A H 0.260986 0.576494 0.299724 0.038 Uiso 1 1 calc R U . . .
H9B H 0.323344 0.640890 0.229453 0.038 Uiso 1 1 calc R U . . .
H9C H 0.444286 0.624066 0.321858 0.038 Uiso 1 1 calc R U . . .
C10 C 0.3630(3) 0.50984(14) 0.13842(17) 0.0299(5) Uani 1 1 d . . . . .
H10A H 0.437989 0.474222 0.104310 0.045 Uiso 1 1 calc R U . . .
H10B H 0.323516 0.552056 0.097861 0.045 Uiso 1 1 calc R U . . .
H10C H 0.255525 0.483004 0.159941 0.045 Uiso 1 1 calc R U . . .
C11 C 0.7185(3) 0.40388(11) 0.24076(14) 0.0154(4) Uani 1 1 d . . . . .
H11 H 0.804736 0.383258 0.290068 0.019 Uiso 1 1 calc R U . . .
C12 C 0.6272(3) 0.33406(11) 0.19368(15) 0.0213(4) Uani 1 1 d . . . . .
H12A H 0.560100 0.305161 0.239037 0.032 Uiso 1 1 calc R U . . .
H12B H 0.721080 0.301320 0.168254 0.032 Uiso 1 1 calc R U . . .
H12C H 0.542371 0.351207 0.143755 0.032 Uiso 1 1 calc R U . . .
C13 C 0.8360(3) 0.44654(13) 0.17326(16) 0.0265(5) Uani 1 1 d . . . . .
H13A H 0.760372 0.461647 0.118859 0.040 Uiso 1 1 calc R U . . .
H13B H 0.934868 0.413113 0.154311 0.040 Uiso 1 1 calc R U . . .
H13C H 0.888247 0.492210 0.203322 0.040 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 2.2285(6) . ?
Au1 O1 2.0548(13) . ?
P1 C5 1.841(2) . ?
P1 C8 1.842(2) . ?
P1 C11 1.846(2) . ?
F1 C2 1.333(3) . ?
F2 C2 1.328(3) . ?
F3 C2 1.343(2) . ?
F4 C4 1.331(2) . ?
F5 C4 1.342(2) . ?
F6 C4 1.339(2) . ?
F7 C3 1.342(2) . ?
F8 C3 1.344(2) . ?
F9 C3 1.322(2) . ?
O1 C1 1.357(2) . ?
C1 C2 1.561(3) . ?
C1 C3 1.557(3) . ?
C1 C4 1.561(3) . ?
C5 H5 1.0000 . ?
C5 C6 1.530(3) . ?
C5 C7 1.527(3) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8 1.0000 . ?
C8 C9 1.528(3) . ?
C8 C10 1.531(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11 1.0000 . ?
C11 C12 1.538(3) . ?
C11 C13 1.528(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Au1 P1 176.05(4) . . ?
C5 P1 Au1 108.31(7) . . ?
C5 P1 C8 106.39(9) . . ?
C5 P1 C11 107.13(9) . . ?
C8 P1 Au1 113.92(7) . . ?
C8 P1 C11 108.90(9) . . ?
C11 P1 Au1 111.83(6) . . ?
C1 O1 Au1 126.04(11) . . ?
O1 C1 C2 112.21(16) . . ?
O1 C1 C3 111.66(16) . . ?
O1 C1 C4 106.95(15) . . ?
C3 C1 C2 109.14(16) . . ?
C3 C1 C4 108.24(15) . . ?
C4 C1 C2 108.51(16) . . ?
F1 C2 F3 107.25(18) . . ?
F1 C2 C1 111.17(17) . . ?
F2 C2 F1 107.46(18) . . ?
F2 C2 F3 106.91(17) . . ?
F2 C2 C1 111.20(17) . . ?
F3 C2 C1 112.57(18) . . ?
F7 C3 F8 106.82(15) . . ?
F7 C3 C1 112.98(16) . . ?
F8 C3 C1 110.64(16) . . ?
F9 C3 F7 107.74(17) . . ?
F9 C3 F8 106.97(17) . . ?
F9 C3 C1 111.40(16) . . ?
F4 C4 F5 107.27(15) . . ?
F4 C4 F6 107.05(16) . . ?
F4 C4 C1 111.34(16) . . ?
F5 C4 C1 113.16(16) . . ?
F6 C4 F5 107.06(16) . . ?
F6 C4 C1 110.65(16) . . ?
P1 C5 H5 106.3 . . ?
C6 C5 P1 110.83(13) . . ?
C6 C5 H5 106.3 . . ?
C7 C5 P1 115.69(13) . . ?
C7 C5 H5 106.3 . . ?
C7 C5 C6 110.74(16) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P1 C8 H8 107.9 . . ?
C9 C8 P1 110.80(15) . . ?
C9 C8 H8 107.9 . . ?
C9 C8 C10 110.80(18) . . ?
C10 C8 P1 111.29(14) . . ?
C10 C8 H8 107.9 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P1 C11 H11 106.2 . . ?
C12 C11 P1 112.41(14) . . ?
C12 C11 H11 106.2 . . ?
C13 C11 P1 114.72(14) . . ?
C13 C11 H11 106.2 . . ?
C13 C11 C12 110.49(17) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C5 C6 58.79(14) . . . . ?
Au1 P1 C5 C7 -174.09(13) . . . . ?
Au1 P1 C8 C9 64.69(15) . . . . ?
Au1 P1 C8 C10 -59.07(17) . . . . ?
Au1 P1 C11 C12 32.38(16) . . . . ?
Au1 P1 C11 C13 159.73(14) . . . . ?
Au1 O1 C1 C2 68.6(2) . . . . ?
Au1 O1 C1 C3 -54.3(2) . . . . ?
Au1 O1 C1 C4 -172.48(12) . . . . ?
O1 C1 C2 F1 73.5(2) . . . . ?
O1 C1 C2 F2 -46.2(2) . . . . ?
O1 C1 C2 F3 -166.10(16) . . . . ?
O1 C1 C3 F7 -161.05(16) . . . . ?
O1 C1 C3 F8 79.2(2) . . . . ?
O1 C1 C3 F9 -39.6(2) . . . . ?
O1 C1 C4 F4 -47.0(2) . . . . ?
O1 C1 C4 F5 -167.95(16) . . . . ?
O1 C1 C4 F6 71.89(19) . . . . ?
C2 C1 C3 F7 74.3(2) . . . . ?
C2 C1 C3 F8 -45.4(2) . . . . ?
C2 C1 C3 F9 -164.24(16) . . . . ?
C2 C1 C4 F4 74.21(19) . . . . ?
C2 C1 C4 F5 -46.7(2) . . . . ?
C2 C1 C4 F6 -166.86(15) . . . . ?
C3 C1 C2 F1 -162.16(16) . . . . ?
C3 C1 C2 F2 78.1(2) . . . . ?
C3 C1 C2 F3 -41.8(2) . . . . ?
C3 C1 C4 F4 -167.47(15) . . . . ?
C3 C1 C4 F5 71.6(2) . . . . ?
C3 C1 C4 F6 -48.5(2) . . . . ?
C4 C1 C2 F1 -44.4(2) . . . . ?
C4 C1 C2 F2 -164.11(16) . . . . ?
C4 C1 C2 F3 75.9(2) . . . . ?
C4 C1 C3 F7 -43.6(2) . . . . ?
C4 C1 C3 F8 -163.30(15) . . . . ?
C4 C1 C3 F9 77.85(19) . . . . ?
C5 P1 C8 C9 -54.56(16) . . . . ?
C5 P1 C8 C10 -178.32(15) . . . . ?
C5 P1 C11 C12 150.90(14) . . . . ?
C5 P1 C11 C13 -81.75(17) . . . . ?
C8 P1 C5 C6 -178.35(14) . . . . ?
C8 P1 C5 C7 -51.23(16) . . . . ?
C8 P1 C11 C12 -94.41(16) . . . . ?
C8 P1 C11 C13 32.94(18) . . . . ?
C11 P1 C5 C6 -61.99(15) . . . . ?
C11 P1 C5 C7 65.13(16) . . . . ?
C11 P1 C8 C9 -169.72(14) . . . . ?
C11 P1 C8 C10 66.51(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au_StBu_PiPr3
_database_code_depnum_ccdc_archive 'CCDC 2503053'
loop_
_audit_author_name
_audit_author_address
'Nick Hoffman'
;McMaster University
Canada
;
_audit_update_record             
;
2025-11-14 deposited with the CCDC.	2025-12-16 downloaded from the CCDC.
;
_audit_creation_date             2025-11-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H30 Au P S'
_chemical_formula_sum            'C13 H30 Au P S'
_chemical_formula_weight         446.36
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.3457(19)
_cell_length_b                   10.051(2)
_cell_length_c                   18.098(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.258(9)
_cell_angle_gamma                90
_cell_volume                     1700.0(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9765
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.98
_shelx_estimated_absorpt_T_max   0.666
_shelx_estimated_absorpt_T_min   0.271
_exptl_absorpt_coefficient_mu    8.850
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0974 before and 0.0543 after correction.
The Ratio of minimum to maximum transmission is 0.6567.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             872
_exptl_crystal_preparation       'Hot hexanes cooled to -35C'
_exptl_crystal_recrystallization_method 'Hot hexanes cooled to -35C'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0201
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            67417
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_min         2.179
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Dual Source D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4498
_reflns_number_total             4756
_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       'SAINT V8.40B (2, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (2, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.837
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       0.00168(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         4756
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0129
_refine_ls_R_factor_gt           0.0117
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+0.7365P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0269
_refine_ls_wR_factor_ref         0.0273
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C5(H5), C8(H8), C11(H11)
2.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C), C13(H13A,
 H13B,H13C)
;
_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 0.37527(2) 0.50782(2) 0.37692(2) 0.01334(2) Uani 1 1 d . . . . .
S1 S 0.29212(4) 0.29362(3) 0.36386(2) 0.01684(6) Uani 1 1 d . . . . .
P1 P 0.45454(4) 0.72092(3) 0.38641(2) 0.01261(6) Uani 1 1 d . . . . .
C1 C 0.09641(15) 0.31379(14) 0.35769(7) 0.0173(3) Uani 1 1 d . . . . .
C2 C 0.05557(18) 0.40108(17) 0.29157(9) 0.0274(3) Uani 1 1 d . . . . .
H2A H 0.099100 0.489209 0.297310 0.041 Uiso 1 1 calc R U . . .
H2B H -0.048750 0.410135 0.289109 0.041 Uiso 1 1 calc R U . . .
H2C H 0.090214 0.359797 0.245978 0.041 Uiso 1 1 calc R U . . .
C3 C 0.03899(17) 0.37651(16) 0.42849(8) 0.0252(3) Uani 1 1 d . . . . .
H3A H 0.068085 0.322462 0.471047 0.038 Uiso 1 1 calc R U . . .
H3B H -0.065680 0.380682 0.425988 0.038 Uiso 1 1 calc R U . . .
H3C H 0.077743 0.466612 0.433847 0.038 Uiso 1 1 calc R U . . .
C4 C 0.03412(18) 0.17412(15) 0.34820(9) 0.0262(3) Uani 1 1 d . . . . .
H4A H 0.071085 0.134356 0.302673 0.039 Uiso 1 1 calc R U . . .
H4B H -0.070450 0.179610 0.345306 0.039 Uiso 1 1 calc R U . . .
H4C H 0.061804 0.118873 0.390528 0.039 Uiso 1 1 calc R U . . .
C5 C 0.34690(16) 0.81723(14) 0.45224(7) 0.0168(3) Uani 1 1 d . . . . .
H5 H 0.380077 0.911793 0.450981 0.020 Uiso 1 1 calc R U . . .
C6 C 0.36756(17) 0.76390(16) 0.53113(7) 0.0223(3) Uani 1 1 d . . . . .
H6A H 0.343752 0.668967 0.532371 0.033 Uiso 1 1 calc R U . . .
H6B H 0.304703 0.812410 0.564937 0.033 Uiso 1 1 calc R U . . .
H6C H 0.467409 0.776291 0.546409 0.033 Uiso 1 1 calc R U . . .
C7 C 0.18839(17) 0.81382(16) 0.43046(8) 0.0233(3) Uani 1 1 d . . . . .
H7A H 0.176226 0.852726 0.381179 0.035 Uiso 1 1 calc R U . . .
H7B H 0.132739 0.865092 0.466329 0.035 Uiso 1 1 calc R U . . .
H7C H 0.154769 0.721469 0.429942 0.035 Uiso 1 1 calc R U . . .
C8 C 0.44961(16) 0.81196(13) 0.29761(7) 0.0160(2) Uani 1 1 d . . . . .
H8 H 0.544323 0.797006 0.273497 0.019 Uiso 1 1 calc R U . . .
C9 C 0.33592(17) 0.75662(15) 0.24477(7) 0.0222(3) Uani 1 1 d . . . . .
H9A H 0.350866 0.660839 0.238243 0.033 Uiso 1 1 calc R U . . .
H9B H 0.343507 0.801382 0.196842 0.033 Uiso 1 1 calc R U . . .
H9C H 0.240614 0.772218 0.265405 0.033 Uiso 1 1 calc R U . . .
C10 C 0.43164(19) 0.96271(15) 0.30530(8) 0.0226(3) Uani 1 1 d . . . . .
H10A H 0.334570 0.982683 0.322288 0.034 Uiso 1 1 calc R U . . .
H10B H 0.447560 1.005181 0.257292 0.034 Uiso 1 1 calc R U . . .
H10C H 0.501304 0.996770 0.341245 0.034 Uiso 1 1 calc R U . . .
C11 C 0.64113(15) 0.72784(14) 0.41960(7) 0.0164(2) Uani 1 1 d . . . . .
H11 H 0.641941 0.689100 0.470495 0.020 Uiso 1 1 calc R U . . .
C12 C 0.70419(18) 0.86711(16) 0.42580(9) 0.0261(3) Uani 1 1 d . . . . .
H12A H 0.715056 0.905196 0.376298 0.039 Uiso 1 1 calc R U . . .
H12B H 0.797957 0.862365 0.450116 0.039 Uiso 1 1 calc R U . . .
H12C H 0.640129 0.923409 0.454989 0.039 Uiso 1 1 calc R U . . .
C13 C 0.73638(16) 0.63822(16) 0.37176(8) 0.0225(3) Uani 1 1 d . . . . .
H13A H 0.698873 0.547175 0.372330 0.034 Uiso 1 1 calc R U . . .
H13B H 0.834172 0.638653 0.391533 0.034 Uiso 1 1 calc R U . . .
H13C H 0.736856 0.671665 0.320896 0.034 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 S1 2.3006(6) . ?
Au1 P1 2.2726(6) . ?
S1 C1 1.8432(15) . ?
P1 C5 1.8383(14) . ?
P1 C8 1.8498(13) . ?
P1 C11 1.8431(15) . ?
C1 C2 1.5306(19) . ?
C1 C3 1.528(2) . ?
C1 C4 1.529(2) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5 1.0000 . ?
C5 C6 1.5365(18) . ?
C5 C7 1.532(2) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8 1.0000 . ?
C8 C9 1.5308(19) . ?
C8 C10 1.531(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11 1.0000 . ?
C11 C12 1.523(2) . ?
C11 C13 1.536(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 S1 178.259(11) . . ?
C1 S1 Au1 103.76(5) . . ?
C5 P1 Au1 111.47(5) . . ?
C5 P1 C8 106.92(6) . . ?
C5 P1 C11 106.77(6) . . ?
C8 P1 Au1 113.19(5) . . ?
C11 P1 Au1 111.58(5) . . ?
C11 P1 C8 106.52(6) . . ?
C2 C1 S1 110.75(10) . . ?
C3 C1 S1 110.29(10) . . ?
C3 C1 C2 109.38(13) . . ?
C3 C1 C4 109.76(12) . . ?
C4 C1 S1 106.44(10) . . ?
C4 C1 C2 110.18(12) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
P1 C5 H5 108.4 . . ?
C6 C5 P1 110.59(10) . . ?
C6 C5 H5 108.4 . . ?
C7 C5 P1 110.67(9) . . ?
C7 C5 H5 108.4 . . ?
C7 C5 C6 110.41(12) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P1 C8 H8 106.6 . . ?
C9 C8 P1 112.18(10) . . ?
C9 C8 H8 106.6 . . ?
C9 C8 C10 109.90(12) . . ?
C10 C8 P1 114.39(9) . . ?
C10 C8 H8 106.6 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P1 C11 H11 106.8 . . ?
C12 C11 P1 115.09(10) . . ?
C12 C11 H11 106.8 . . ?
C12 C11 C13 110.82(13) . . ?
C13 C11 P1 110.12(9) . . ?
C13 C11 H11 106.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 S1 C1 C2 59.76(10) . . . . ?
Au1 S1 C1 C3 -61.47(10) . . . . ?
Au1 S1 C1 C4 179.53(8) . . . . ?
Au1 P1 C5 C6 66.47(11) . . . . ?
Au1 P1 C5 C7 -56.20(10) . . . . ?
Au1 P1 C8 C9 26.26(11) . . . . ?
Au1 P1 C8 C10 152.30(10) . . . . ?
Au1 P1 C11 C12 178.57(9) . . . . ?
Au1 P1 C11 C13 52.45(10) . . . . ?
C5 P1 C8 C9 -96.87(11) . . . . ?
C5 P1 C8 C10 29.17(13) . . . . ?
C5 P1 C11 C12 -59.39(11) . . . . ?
C5 P1 C11 C13 174.49(10) . . . . ?
C8 P1 C5 C6 -169.34(10) . . . . ?
C8 P1 C5 C7 67.99(11) . . . . ?
C8 P1 C11 C12 54.59(11) . . . . ?
C8 P1 C11 C13 -71.53(11) . . . . ?
C11 P1 C5 C6 -55.63(12) . . . . ?
C11 P1 C5 C7 -178.30(9) . . . . ?
C11 P1 C8 C9 149.25(10) . . . . ?
C11 P1 C8 C10 -84.71(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au_StBu_PMe3
_database_code_depnum_ccdc_archive 'CCDC 2503052'
loop_
_audit_author_name
_audit_author_address
'Nick Hoffman'
;McMaster University
Canada
;
_audit_update_record             
;
2025-11-14 deposited with the CCDC.	2025-12-16 downloaded from the CCDC.
;
_audit_creation_date             2025-11-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H36 Au2 P2 S2'
_chemical_formula_sum            'C14 H36 Au2 P2 S2'
_chemical_formula_weight         724.42
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
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'

_cell_length_a                   17.793(7)
_cell_length_b                   15.821(5)
_cell_length_c                   16.109(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4535(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.39
_cell_measurement_theta_min      2.62
_shelx_estimated_absorpt_T_max   0.692
_shelx_estimated_absorpt_T_min   0.052
_exptl_absorpt_coefficient_mu    13.243
_exptl_absorpt_correction_T_max  0.2750
_exptl_absorpt_correction_T_min  0.1848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0864 before and 0.0601 after correction.
The Ratio of minimum to maximum transmission is 0.6720.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.122
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            88614
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_min         2.137
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Dual Source D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.934
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                11052
_reflns_number_total             12710
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (2, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (2, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.660
_refine_diff_density_min         -1.753
_refine_diff_density_rms         0.179
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.476(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         12710
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0294
_refine_ls_restrained_S_all      1.019
_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)+(0.0268P)²+11.9133P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0610
_refine_ls_wR_factor_ref         0.0654
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.524(9)
 0.476(9)
2. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
3.a Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,
 H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,
 H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C),
 C21(H21A,H21B,H21C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,
 H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C)
;
_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
Au2 Au 0.56229(2) 0.78848(2) 0.74810(2) 0.01923(7) Uani 1 1 d . . . . .
Au3 Au 0.54903(2) 0.99811(2) 0.71914(2) 0.01961(7) Uani 1 1 d . . . . .
S2 S 0.62937(14) 0.80560(16) 0.86925(16) 0.0251(5) Uani 1 1 d . . . . .
S3 S 0.61417(14) 1.00716(17) 0.59594(17) 0.0238(5) Uani 1 1 d . . . . .
P2 P 0.49308(14) 0.76908(16) 0.63158(18) 0.0191(5) Uani 1 1 d . . . . .
P3 P 0.48356(13) 1.00273(17) 0.83920(17) 0.0174(5) Uani 1 1 d . . . . .
C8 C 0.7105(5) 0.7322(6) 0.8653(6) 0.0181(19) Uani 1 1 d . . . . .
C9 C 0.6830(7) 0.6411(6) 0.8627(7) 0.029(2) Uani 1 1 d . . . . .
H9A H 0.652834 0.629326 0.912203 0.044 Uiso 1 1 calc R U . . .
H9B H 0.726338 0.602846 0.861199 0.044 Uiso 1 1 calc R U . . .
H9C H 0.652294 0.632505 0.812908 0.044 Uiso 1 1 calc R U . . .
C10 C 0.7554(6) 0.7472(7) 0.9450(7) 0.031(2) Uani 1 1 d . . . . .
H10A H 0.771423 0.806446 0.947431 0.047 Uiso 1 1 calc R U . . .
H10B H 0.799766 0.710469 0.945420 0.047 Uiso 1 1 calc R U . . .
H10C H 0.723870 0.734384 0.993273 0.047 Uiso 1 1 calc R U . . .
C11 C 0.7587(6) 0.7513(7) 0.7890(6) 0.028(2) Uani 1 1 d . . . . .
H11A H 0.731395 0.734940 0.738718 0.041 Uiso 1 1 calc R U . . .
H11B H 0.805813 0.719396 0.792382 0.041 Uiso 1 1 calc R U . . .
H11C H 0.769872 0.811966 0.787096 0.041 Uiso 1 1 calc R U . . .
C12 C 0.4490(6) 0.6664(7) 0.6225(8) 0.029(2) Uani 1 1 d . . . . .
H12A H 0.487574 0.622250 0.624772 0.044 Uiso 1 1 calc R U . . .
H12B H 0.422105 0.662854 0.569547 0.044 Uiso 1 1 calc R U . . .
H12C H 0.413453 0.658513 0.668340 0.044 Uiso 1 1 calc R U . . .
C13 C 0.5443(6) 0.7809(7) 0.5357(7) 0.025(2) Uani 1 1 d . . . . .
H13A H 0.569373 0.836079 0.534936 0.038 Uiso 1 1 calc R U . . .
H13B H 0.509407 0.777109 0.488806 0.038 Uiso 1 1 calc R U . . .
H13C H 0.582038 0.736004 0.531272 0.038 Uiso 1 1 calc R U . . .
C14 C 0.4146(6) 0.8414(7) 0.6190(8) 0.029(2) Uani 1 1 d . . . . .
H14A H 0.380378 0.835747 0.666339 0.044 Uiso 1 1 calc R U . . .
H14B H 0.387697 0.828020 0.567615 0.044 Uiso 1 1 calc R U . . .
H14C H 0.433478 0.899572 0.616339 0.044 Uiso 1 1 calc R U . . .
C15 C 0.7121(5) 0.9732(6) 0.6173(7) 0.024(2) Uani 1 1 d . . . . .
C16 C 0.7614(7) 1.0218(8) 0.5568(10) 0.041(3) Uani 1 1 d . . . . .
H16A H 0.755816 1.082633 0.566751 0.062 Uiso 1 1 calc R U . . .
H16B H 0.746141 1.008684 0.499814 0.062 Uiso 1 1 calc R U . . .
H16C H 0.814033 1.005551 0.564902 0.062 Uiso 1 1 calc R U . . .
C17 C 0.7182(5) 0.8781(6) 0.5993(7) 0.024(2) Uani 1 1 d . . . . .
H17A H 0.703996 0.867254 0.541500 0.037 Uiso 1 1 calc R U . . .
H17B H 0.684361 0.847020 0.636391 0.037 Uiso 1 1 calc R U . . .
H17C H 0.769993 0.859418 0.608554 0.037 Uiso 1 1 calc R U . . .
C18 C 0.7349(6) 0.9901(7) 0.7064(7) 0.029(2) Uani 1 1 d . . . . .
H18A H 0.787618 0.974168 0.714283 0.044 Uiso 1 1 calc R U . . .
H18B H 0.703153 0.956794 0.743848 0.044 Uiso 1 1 calc R U . . .
H18C H 0.728619 1.050381 0.718750 0.044 Uiso 1 1 calc R U . . .
C19 C 0.5430(5) 1.0098(6) 0.9286(7) 0.021(2) Uani 1 1 d . . . . .
H19A H 0.575507 0.959858 0.931201 0.032 Uiso 1 1 calc R U . . .
H19B H 0.511981 1.012626 0.978740 0.032 Uiso 1 1 calc R U . . .
H19C H 0.574094 1.060779 0.924648 0.032 Uiso 1 1 calc R U . . .
C20 C 0.4206(6) 0.9147(7) 0.8592(7) 0.024(2) Uani 1 1 d . . . . .
H20A H 0.379049 0.915920 0.819219 0.037 Uiso 1 1 calc R U . . .
H20B H 0.400507 0.919175 0.915643 0.037 Uiso 1 1 calc R U . . .
H20C H 0.448199 0.861399 0.853397 0.037 Uiso 1 1 calc R U . . .
C21 C 0.4203(5) 1.0926(7) 0.8470(7) 0.025(2) Uani 1 1 d . . . . .
H21A H 0.449419 1.145123 0.845364 0.038 Uiso 1 1 calc R U . . .
H21B H 0.392397 1.089476 0.899361 0.038 Uiso 1 1 calc R U . . .
H21C H 0.384848 1.091632 0.800389 0.038 Uiso 1 1 calc R U . . .
Au1 Au 0.55668(2) 0.46407(2) 0.72123(2) 0.02062(8) Uani 1 1 d . . . . .
S1 S 0.62278(14) 0.44336(17) 0.59947(17) 0.0259(5) Uani 1 1 d . . . . .
P1 P 0.48668(15) 0.48340(17) 0.8372(2) 0.0214(6) Uani 1 1 d . . . . .
C1 C 0.7063(5) 0.5130(6) 0.6020(7) 0.021(2) Uani 1 1 d . . . . .
C2 C 0.7524(6) 0.4923(6) 0.5254(7) 0.025(2) Uani 1 1 d . . . . .
H2A H 0.769580 0.433513 0.528404 0.037 Uiso 1 1 calc R U . . .
H2B H 0.795995 0.530029 0.522669 0.037 Uiso 1 1 calc R U . . .
H2C H 0.721387 0.499957 0.475701 0.037 Uiso 1 1 calc R U . . .
C3 C 0.7523(5) 0.4966(6) 0.6804(7) 0.025(2) Uani 1 1 d . . . . .
H3A H 0.723709 0.514882 0.729119 0.037 Uiso 1 1 calc R U . . .
H3B H 0.799576 0.528241 0.677399 0.037 Uiso 1 1 calc R U . . .
H3C H 0.763247 0.436015 0.684818 0.037 Uiso 1 1 calc R U . . .
C4 C 0.6818(7) 0.6056(6) 0.6011(7) 0.029(2) Uani 1 1 d . . . . .
H4A H 0.656966 0.618293 0.548258 0.044 Uiso 1 1 calc R U . . .
H4B H 0.726030 0.641967 0.607498 0.044 Uiso 1 1 calc R U . . .
H4C H 0.646796 0.615922 0.646939 0.044 Uiso 1 1 calc R U . . .
C5 C 0.4061(6) 0.4135(7) 0.8426(8) 0.032(3) Uani 1 1 d . . . . .
H5A H 0.370916 0.427462 0.797792 0.048 Uiso 1 1 calc R U . . .
H5B H 0.381021 0.420566 0.896276 0.048 Uiso 1 1 calc R U . . .
H5C H 0.422803 0.354844 0.836499 0.048 Uiso 1 1 calc R U . . .
C6 C 0.4456(6) 0.5871(7) 0.8506(9) 0.035(3) Uani 1 1 d . . . . .
H6A H 0.485288 0.629991 0.849311 0.052 Uiso 1 1 calc R U . . .
H6B H 0.419415 0.589604 0.904101 0.052 Uiso 1 1 calc R U . . .
H6C H 0.409683 0.597927 0.805678 0.052 Uiso 1 1 calc R U . . .
C7 C 0.5346(6) 0.4637(8) 0.9337(7) 0.033(2) Uani 1 1 d . . . . .
H7A H 0.548892 0.403982 0.936776 0.049 Uiso 1 1 calc R U . . .
H7B H 0.501123 0.477441 0.980140 0.049 Uiso 1 1 calc R U . . .
H7C H 0.579749 0.498996 0.936793 0.049 Uiso 1 1 calc R U . . .
Au4 Au 0.54295(2) 0.25139(3) 0.74283(2) 0.02139(7) Uani 1 1 d . . . . .
S4 S 0.60341(14) 0.23833(16) 0.86856(17) 0.0243(5) Uani 1 1 d . . . . .
P4 P 0.48242(14) 0.24701(18) 0.62000(18) 0.0201(5) Uani 1 1 d . . . . .
C22 C 0.7020(5) 0.2735(7) 0.8521(7) 0.022(2) Uani 1 1 d . . . . .
C23 C 0.7065(6) 0.3680(7) 0.8703(7) 0.027(2) Uani 1 1 d . . . . .
H23A H 0.671681 0.398468 0.833816 0.041 Uiso 1 1 calc R U . . .
H23B H 0.757839 0.387997 0.860404 0.041 Uiso 1 1 calc R U . . .
H23C H 0.692782 0.378334 0.928342 0.041 Uiso 1 1 calc R U . . .
C24 C 0.7493(6) 0.2243(7) 0.9149(8) 0.031(2) Uani 1 1 d . . . . .
H24A H 0.730575 0.235159 0.971061 0.047 Uiso 1 1 calc R U . . .
H24B H 0.801883 0.242404 0.910936 0.047 Uiso 1 1 calc R U . . .
H24C H 0.745911 0.163653 0.902865 0.047 Uiso 1 1 calc R U . . .
C25 C 0.7283(6) 0.2547(8) 0.7635(7) 0.035(3) Uani 1 1 d . . . . .
H25A H 0.717059 0.195685 0.749798 0.052 Uiso 1 1 calc R U . . .
H25B H 0.782583 0.264269 0.759491 0.052 Uiso 1 1 calc R U . . .
H25C H 0.702074 0.292075 0.724626 0.052 Uiso 1 1 calc R U . . .
C26 C 0.5453(6) 0.2344(7) 0.5318(8) 0.028(2) Uani 1 1 d . . . . .
H26A H 0.576881 0.284907 0.526393 0.042 Uiso 1 1 calc R U . . .
H26B H 0.515694 0.226850 0.481109 0.042 Uiso 1 1 calc R U . . .
H26C H 0.577304 0.184785 0.540537 0.042 Uiso 1 1 calc R U . . .
C27 C 0.4252(6) 0.3378(7) 0.5921(8) 0.032(3) Uani 1 1 d . . . . .
H27A H 0.390465 0.350658 0.637580 0.048 Uiso 1 1 calc R U . . .
H27B H 0.396508 0.324933 0.541734 0.048 Uiso 1 1 calc R U . . .
H27C H 0.457781 0.386620 0.581963 0.048 Uiso 1 1 calc R U . . .
C28 C 0.4177(6) 0.1594(7) 0.6091(7) 0.025(2) Uani 1 1 d . . . . .
H28A H 0.441249 0.107640 0.630031 0.038 Uiso 1 1 calc R U . . .
H28B H 0.404777 0.152031 0.550371 0.038 Uiso 1 1 calc R U . . .
H28C H 0.371890 0.171075 0.640925 0.038 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
Au2 Au3 3.3574(12) . ?
Au2 S2 2.304(3) . ?
Au2 P2 2.266(3) . ?
Au3 S3 2.303(3) . ?
Au3 P3 2.259(3) . ?
S2 C8 1.854(9) . ?
S3 C15 1.855(10) . ?
P2 C12 1.810(11) . ?
P2 C13 1.803(12) . ?
P2 C14 1.817(11) . ?
P3 C19 1.790(10) . ?
P3 C20 1.817(11) . ?
P3 C21 1.818(10) . ?
C8 C9 1.522(13) . ?
C8 C10 1.532(14) . ?
C8 C11 1.529(14) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.521(15) . ?
C15 C17 1.536(14) . ?
C15 C18 1.515(15) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
Au1 S1 2.310(3) . ?
Au1 P1 2.266(3) . ?
Au1 Au4 3.3917(12) . ?
S1 C1 1.850(9) . ?
P1 C5 1.812(11) . ?
P1 C6 1.810(11) . ?
P1 C7 1.800(12) . ?
C1 C2 1.518(14) . ?
C1 C3 1.527(15) . ?
C1 C4 1.529(14) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
Au4 S4 2.303(3) . ?
Au4 P4 2.254(3) . ?
S4 C22 1.859(10) . ?
P4 C26 1.819(12) . ?
P4 C27 1.816(11) . ?
P4 C28 1.811(10) . ?
C22 C23 1.526(14) . ?
C22 C24 1.530(14) . ?
C22 C25 1.530(15) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S2 Au2 Au3 92.18(7) . . ?
P2 Au2 Au3 88.88(6) . . ?
P2 Au2 S2 177.92(10) . . ?
S3 Au3 Au2 98.38(7) . . ?
P3 Au3 Au2 87.09(7) . . ?
P3 Au3 S3 174.52(9) . . ?
C8 S2 Au2 107.5(3) . . ?
C15 S3 Au3 107.1(4) . . ?
C12 P2 Au2 115.1(4) . . ?
C12 P2 C14 102.9(5) . . ?
C13 P2 Au2 114.9(4) . . ?
C13 P2 C12 104.1(5) . . ?
C13 P2 C14 103.2(5) . . ?
C14 P2 Au2 115.1(4) . . ?
C19 P3 Au3 112.7(3) . . ?
C19 P3 C20 105.7(5) . . ?
C19 P3 C21 105.2(5) . . ?
C20 P3 Au3 116.4(4) . . ?
C20 P3 C21 101.9(5) . . ?
C21 P3 Au3 113.8(4) . . ?
C9 C8 S2 110.2(7) . . ?
C9 C8 C10 109.8(9) . . ?
C9 C8 C11 110.2(9) . . ?
C10 C8 S2 106.3(7) . . ?
C11 C8 S2 109.9(7) . . ?
C11 C8 C10 110.5(8) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P2 C12 H12A 109.5 . . ?
P2 C12 H12B 109.5 . . ?
P2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P2 C13 H13A 109.5 . . ?
P2 C13 H13B 109.5 . . ?
P2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C14 H14A 109.5 . . ?
P2 C14 H14B 109.5 . . ?
P2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 S3 106.0(8) . . ?
C16 C15 C17 109.5(9) . . ?
C17 C15 S3 108.3(7) . . ?
C18 C15 S3 112.1(7) . . ?
C18 C15 C16 111.3(10) . . ?
C18 C15 C17 109.5(9) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P3 C19 H19A 109.5 . . ?
P3 C19 H19B 109.5 . . ?
P3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P3 C20 H20A 109.5 . . ?
P3 C20 H20B 109.5 . . ?
P3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
P3 C21 H21A 109.5 . . ?
P3 C21 H21B 109.5 . . ?
P3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
S1 Au1 Au4 89.03(7) . . ?
P1 Au1 S1 177.25(10) . . ?
P1 Au1 Au4 90.56(7) . . ?
C1 S1 Au1 107.8(4) . . ?
C5 P1 Au1 113.1(4) . . ?
C6 P1 Au1 116.3(4) . . ?
C6 P1 C5 103.1(6) . . ?
C7 P1 Au1 115.4(4) . . ?
C7 P1 C5 103.2(6) . . ?
C7 P1 C6 104.2(6) . . ?
C2 C1 S1 106.7(7) . . ?
C2 C1 C3 110.2(8) . . ?
C2 C1 C4 110.6(9) . . ?
C3 C1 S1 110.4(7) . . ?
C3 C1 C4 108.9(9) . . ?
C4 C1 S1 110.0(7) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
P1 C5 H5A 109.5 . . ?
P1 C5 H5B 109.5 . . ?
P1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P1 C6 H6A 109.5 . . ?
P1 C6 H6B 109.5 . . ?
P1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P1 C7 H7A 109.5 . . ?
P1 C7 H7B 109.5 . . ?
P1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
S4 Au4 Au1 98.37(6) . . ?
P4 Au4 Au1 88.56(8) . . ?
P4 Au4 S4 173.07(10) . . ?
C22 S4 Au4 106.8(4) . . ?
C26 P4 Au4 113.2(4) . . ?
C27 P4 Au4 117.4(4) . . ?
C27 P4 C26 103.8(6) . . ?
C28 P4 Au4 114.4(4) . . ?
C28 P4 C26 103.4(5) . . ?
C28 P4 C27 103.0(5) . . ?
C23 C22 S4 108.4(7) . . ?
C23 C22 C24 110.1(9) . . ?
C23 C22 C25 110.7(9) . . ?
C24 C22 S4 105.8(7) . . ?
C24 C22 C25 110.4(9) . . ?
C25 C22 S4 111.3(7) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
P4 C26 H26A 109.5 . . ?
P4 C26 H26B 109.5 . . ?
P4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
P4 C27 H27A 109.5 . . ?
P4 C27 H27B 109.5 . . ?
P4 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
P4 C28 H28A 109.5 . . ?
P4 C28 H28B 109.5 . . ?
P4 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au2 S2 C8 C9 -63.1(8) . . . . ?
Au2 S2 C8 C10 178.0(6) . . . . ?
Au2 S2 C8 C11 58.5(7) . . . . ?
Au3 S3 C15 C16 -149.7(7) . . . . ?
Au3 S3 C15 C17 92.8(7) . . . . ?
Au3 S3 C15 C18 -28.1(8) . . . . ?
Au1 S1 C1 C2 174.8(6) . . . . ?
Au1 S1 C1 C3 55.1(7) . . . . ?
Au1 S1 C1 C4 -65.1(8) . . . . ?
Au4 S4 C22 C23 90.9(7) . . . . ?
Au4 S4 C22 C24 -151.0(7) . . . . ?
Au4 S4 C22 C25 -31.0(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.524(9)
2 0.476(9)

####################################################################### 
# 
# 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_Au_PiPr3_2_H_pftb2
_database_code_depnum_ccdc_archive 'CCDC 2503054'
loop_
_audit_author_name
_audit_author_address
'Nick Hoffman'
;McMaster University
Canada
;
_audit_update_record             
;
2025-11-14 deposited with the CCDC.	2025-12-16 downloaded from the CCDC.
;
_audit_creation_date             2025-11-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H42 Au P2, C4 F9 O, C4 H F9 O'
_chemical_formula_sum            'C26 H43 Au F18 O2 P2'
_chemical_formula_weight         988.51
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Au Au -2.0133 8.8022 '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                   9.049(2)
_cell_length_b                   10.313(3)
_cell_length_c                   19.881(7)
_cell_angle_alpha                82.075(14)
_cell_angle_beta                 85.745(10)
_cell_angle_gamma                89.516(11)
_cell_volume                     1832.5(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9556
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      29.60
_cell_measurement_theta_min      3.01
_shelx_estimated_absorpt_T_max   0.849
_shelx_estimated_absorpt_T_min   0.678
_exptl_absorpt_coefficient_mu    4.217
_exptl_absorpt_correction_T_max  0.8016
_exptl_absorpt_correction_T_min  0.6657
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1012 before and 0.0653 after correction.
The Ratio of minimum to maximum transmission is 0.8305.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             972
_exptl_crystal_preparation       'Thermal decomposition of Au(pftb)(PiPr3)'
_exptl_crystal_recrystallization_method '- 30 C. Toluene concentrated'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            93053
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.766
_diffrn_reflns_theta_min         1.994
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Dual Source D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9625
_reflns_number_total             10338
_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       'SAINT V8.40B (2, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (2, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.250
_refine_diff_density_min         -1.933
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         10338
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0336
_refine_ls_restrained_S_all      1.171
_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)+(0.0162P)²+5.8312P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0735
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C4(H4), C7(H7), C10(H10), C13(H13), C16(H16)
2.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A,
 H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,
 H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
2.c Idealised tetrahedral OH refined as rotating group:
 O1(H1A)
;
_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 0.55945(2) 0.69285(2) 0.25259(2) 0.01748(4) Uani 1 1 d . . . . .
P1 P 0.52500(10) 0.78204(8) 0.35299(4) 0.01613(15) Uani 1 1 d . . . . .
P2 P 0.59234(10) 0.60469(8) 0.15195(4) 0.01695(15) Uani 1 1 d . . . . .
F1 F 0.8540(3) 0.2343(3) 0.05198(12) 0.0431(6) Uani 1 1 d . . . . .
F2 F 0.7025(3) 0.1004(3) 0.11238(13) 0.0383(6) Uani 1 1 d . . . . .
F3 F 0.8808(3) 0.0264(3) 0.05189(13) 0.0463(7) Uani 1 1 d . . . . .
F4 F 1.0512(3) -0.0973(3) 0.14664(15) 0.0470(7) Uani 1 1 d . . . . .
F5 F 0.8313(3) -0.0912(2) 0.19503(15) 0.0426(6) Uani 1 1 d . . . . .
F6 F 1.0176(3) -0.0365(3) 0.24578(13) 0.0428(6) Uani 1 1 d . . . . .
F7 F 1.1486(3) 0.1325(3) 0.06738(13) 0.0437(6) Uani 1 1 d . . . . .
F8 F 1.1992(3) 0.1386(3) 0.17084(14) 0.0461(6) Uani 1 1 d . . . . .
F9 F 1.0945(3) 0.3029(2) 0.11501(13) 0.0414(6) Uani 1 1 d . . . . .
F10 F 0.7639(3) 0.3977(3) 0.30889(15) 0.0552(8) Uani 1 1 d . . . . .
F11 F 0.8790(4) 0.4383(3) 0.39456(18) 0.0584(8) Uani 1 1 d . . . . .
F12 F 0.6915(3) 0.3107(3) 0.40941(14) 0.0464(7) Uani 1 1 d . . . . .
F13 F 1.0575(3) 0.3691(2) 0.27667(12) 0.0345(5) Uani 1 1 d . . . . .
F14 F 1.1485(3) 0.1799(3) 0.30682(13) 0.0389(6) Uani 1 1 d . . . . .
F15 F 1.1469(3) 0.3240(3) 0.37476(13) 0.0408(6) Uani 1 1 d . . . . .
F16 F 1.0376(3) 0.0570(3) 0.42738(13) 0.0441(7) Uani 1 1 d . . . . .
F17 F 0.8043(3) 0.0770(2) 0.45213(11) 0.0354(5) Uani 1 1 d . . . . .
F18 F 0.9562(3) 0.2164(3) 0.47825(11) 0.0394(6) Uani 1 1 d . . . . .
O1 O 0.8512(3) 0.1460(3) 0.31989(12) 0.0313(6) Uani 1 1 d . . . . .
H1A H 0.861411 0.180168 0.278938 0.047 Uiso 1 1 calc R U . . .
O2 O 0.8750(3) 0.1907(2) 0.19694(12) 0.0259(5) Uani 1 1 d . . . . .
C1 C 0.5478(4) 0.9619(3) 0.33928(18) 0.0237(7) Uani 1 1 d . . . . .
H1 H 0.655461 0.979036 0.342514 0.028 Uiso 1 1 calc R U . . .
C2 C 0.5116(5) 1.0224(4) 0.2674(2) 0.0332(9) Uani 1 1 d . . . . .
H2A H 0.567610 0.976857 0.233612 0.050 Uiso 1 1 calc R U . . .
H2B H 0.538956 1.115336 0.259966 0.050 Uiso 1 1 calc R U . . .
H2C H 0.405268 1.013708 0.262656 0.050 Uiso 1 1 calc R U . . .
C3 C 0.4644(5) 1.0330(4) 0.3928(2) 0.0357(9) Uani 1 1 d . . . . .
H3A H 0.357482 1.021475 0.390737 0.054 Uiso 1 1 calc R U . . .
H3B H 0.488787 1.126528 0.383897 0.054 Uiso 1 1 calc R U . . .
H3C H 0.493212 0.996814 0.438122 0.054 Uiso 1 1 calc R U . . .
C4 C 0.3413(4) 0.7416(4) 0.39510(19) 0.0286(8) Uani 1 1 d . . . . .
H4 H 0.327815 0.788964 0.435738 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3269(5) 0.5947(5) 0.4197(2) 0.0385(10) Uani 1 1 d . . . . .
H5A H 0.347770 0.545983 0.381047 0.058 Uiso 1 1 calc R U . . .
H5B H 0.225942 0.574908 0.439642 0.058 Uiso 1 1 calc R U . . .
H5C H 0.397700 0.568980 0.454052 0.058 Uiso 1 1 calc R U . . .
C6 C 0.2229(5) 0.7902(6) 0.3463(2) 0.0440(11) Uani 1 1 d . . . . .
H6A H 0.236542 0.884127 0.331218 0.066 Uiso 1 1 calc R U . . .
H6B H 0.124264 0.774602 0.369794 0.066 Uiso 1 1 calc R U . . .
H6C H 0.232229 0.742861 0.306700 0.066 Uiso 1 1 calc R U . . .
C7 C 0.6613(4) 0.7140(3) 0.41308(16) 0.0196(6) Uani 1 1 d . . . . .
H7 H 0.648900 0.616663 0.419615 0.024 Uiso 1 1 calc R U . . .
C8 C 0.6401(4) 0.7573(4) 0.48363(17) 0.0262(7) Uani 1 1 d . . . . .
H8A H 0.663792 0.850614 0.480257 0.039 Uiso 1 1 calc R U . . .
H8B H 0.705879 0.706562 0.514282 0.039 Uiso 1 1 calc R U . . .
H8C H 0.536889 0.742482 0.501598 0.039 Uiso 1 1 calc R U . . .
C9 C 0.8192(4) 0.7430(4) 0.38174(19) 0.0267(7) Uani 1 1 d . . . . .
H9A H 0.831796 0.710579 0.337594 0.040 Uiso 1 1 calc R U . . .
H9B H 0.890204 0.699276 0.412207 0.040 Uiso 1 1 calc R U . . .
H9C H 0.836709 0.837685 0.375355 0.040 Uiso 1 1 calc R U . . .
C10 C 0.5485(4) 0.4281(3) 0.16463(17) 0.0221(7) Uani 1 1 d . . . . .
H10 H 0.641503 0.380758 0.177328 0.026 Uiso 1 1 calc R U . . .
C11 C 0.5005(5) 0.3759(4) 0.1007(2) 0.0356(9) Uani 1 1 d . . . . .
H11A H 0.407489 0.417805 0.087469 0.053 Uiso 1 1 calc R U . . .
H11B H 0.486065 0.280950 0.110566 0.053 Uiso 1 1 calc R U . . .
H11C H 0.577493 0.395820 0.063440 0.053 Uiso 1 1 calc R U . . .
C12 C 0.4328(5) 0.3939(4) 0.2245(2) 0.0295(8) Uani 1 1 d . . . . .
H12A H 0.473266 0.412238 0.266601 0.044 Uiso 1 1 calc R U . . .
H12B H 0.407319 0.300772 0.228736 0.044 Uiso 1 1 calc R U . . .
H12C H 0.343613 0.446695 0.216563 0.044 Uiso 1 1 calc R U . . .
C13 C 0.7851(4) 0.6268(3) 0.11586(16) 0.0221(7) Uani 1 1 d . . . . .
H13 H 0.803893 0.723255 0.107094 0.027 Uiso 1 1 calc R U . . .
C14 C 0.8182(5) 0.5750(4) 0.04821(19) 0.0344(9) Uani 1 1 d . . . . .
H14A H 0.810293 0.479324 0.055255 0.052 Uiso 1 1 calc R U . . .
H14B H 0.918779 0.600797 0.029823 0.052 Uiso 1 1 calc R U . . .
H14C H 0.746830 0.611665 0.016000 0.052 Uiso 1 1 calc R U . . .
C15 C 0.8928(4) 0.5695(4) 0.16804(19) 0.0293(8) Uani 1 1 d . . . . .
H15A H 0.871291 0.606190 0.210614 0.044 Uiso 1 1 calc R U . . .
H15B H 0.994696 0.591478 0.150199 0.044 Uiso 1 1 calc R U . . .
H15C H 0.881284 0.474090 0.176692 0.044 Uiso 1 1 calc R U . . .
C16 C 0.4747(4) 0.6876(4) 0.08737(17) 0.0262(7) Uani 1 1 d . . . . .
H16 H 0.487354 0.641870 0.046126 0.031 Uiso 1 1 calc R U . . .
C17 C 0.5233(6) 0.8305(4) 0.0666(2) 0.0394(10) Uani 1 1 d . . . . .
H17A H 0.527571 0.873389 0.107436 0.059 Uiso 1 1 calc R U . . .
H17B H 0.451894 0.876172 0.037010 0.059 Uiso 1 1 calc R U . . .
H17C H 0.621496 0.833196 0.042083 0.059 Uiso 1 1 calc R U . . .
C18 C 0.3107(5) 0.6798(4) 0.1132(2) 0.0349(9) Uani 1 1 d . . . . .
H18A H 0.280389 0.587762 0.123749 0.052 Uiso 1 1 calc R U . . .
H18B H 0.250666 0.724306 0.077935 0.052 Uiso 1 1 calc R U . . .
H18C H 0.296169 0.722195 0.154341 0.052 Uiso 1 1 calc R U . . .
C23 C 0.9119(4) 0.2252(3) 0.35928(16) 0.0203(6) Uani 1 1 d . . . . .
C24 C 0.8108(5) 0.3447(4) 0.3683(2) 0.0337(9) Uani 1 1 d . . . . .
C25 C 1.0677(4) 0.2773(4) 0.32975(18) 0.0257(7) Uani 1 1 d . . . . .
C26 C 0.9279(4) 0.1436(3) 0.42988(17) 0.0251(7) Uani 1 1 d . . . . .
C19 C 0.9425(4) 0.1165(3) 0.15318(16) 0.0216(7) Uani 1 1 d . . . . .
C20 C 0.8449(5) 0.1188(4) 0.09146(18) 0.0298(8) Uani 1 1 d . . . . .
C21 C 1.0978(5) 0.1725(4) 0.12620(19) 0.0318(8) Uani 1 1 d . . . . .
C22 C 0.9611(5) -0.0285(4) 0.1851(2) 0.0310(8) 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 P1 2.3102(10) . ?
Au1 P2 2.3081(10) . ?
P1 C1 1.848(4) . ?
P1 C4 1.830(4) . ?
P1 C7 1.848(4) . ?
P2 C10 1.846(3) . ?
P2 C13 1.840(4) . ?
P2 C16 1.843(4) . ?
F1 C20 1.332(5) . ?
F2 C20 1.332(5) . ?
F3 C20 1.340(4) . ?
F4 C22 1.342(4) . ?
F5 C22 1.334(5) . ?
F6 C22 1.336(5) . ?
F7 C21 1.341(4) . ?
F8 C21 1.334(5) . ?
F9 C21 1.333(5) . ?
F10 C24 1.330(5) . ?
F11 C24 1.335(5) . ?
F12 C24 1.323(5) . ?
F13 C25 1.325(4) . ?
F14 C25 1.347(5) . ?
F15 C25 1.329(4) . ?
F16 C26 1.333(5) . ?
F17 C26 1.332(4) . ?
F18 C26 1.339(4) . ?
O1 H1A 0.8400 . ?
O1 C23 1.352(4) . ?
O2 C19 1.346(4) . ?
C1 H1 1.0000 . ?
C1 C2 1.536(5) . ?
C1 C3 1.525(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4 1.0000 . ?
C4 C5 1.530(6) . ?
C4 C6 1.533(6) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7 1.0000 . ?
C7 C8 1.528(5) . ?
C7 C9 1.531(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.538(5) . ?
C10 C12 1.531(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 1.0000 . ?
C13 C14 1.523(5) . ?
C13 C15 1.532(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16 1.0000 . ?
C16 C17 1.533(6) . ?
C16 C18 1.533(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C23 C24 1.552(5) . ?
C23 C25 1.557(5) . ?
C23 C26 1.549(5) . ?
C19 C20 1.561(5) . ?
C19 C21 1.553(5) . ?
C19 C22 1.555(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Au1 P1 179.55(3) . . ?
C1 P1 Au1 112.11(11) . . ?
C4 P1 Au1 111.06(12) . . ?
C4 P1 C1 108.91(18) . . ?
C4 P1 C7 106.71(17) . . ?
C7 P1 Au1 110.27(11) . . ?
C7 P1 C1 107.56(16) . . ?
C10 P2 Au1 111.58(11) . . ?
C13 P2 Au1 110.50(11) . . ?
C13 P2 C10 108.41(17) . . ?
C13 P2 C16 106.53(17) . . ?
C16 P2 Au1 111.21(12) . . ?
C16 P2 C10 108.43(17) . . ?
C23 O1 H1A 109.5 . . ?
P1 C1 H1 106.3 . . ?
C2 C1 P1 112.2(3) . . ?
C2 C1 H1 106.3 . . ?
C3 C1 P1 114.8(3) . . ?
C3 C1 H1 106.3 . . ?
C3 C1 C2 110.5(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
P1 C4 H4 108.2 . . ?
C5 C4 P1 111.1(3) . . ?
C5 C4 H4 108.2 . . ?
C5 C4 C6 111.9(4) . . ?
C6 C4 P1 109.2(3) . . ?
C6 C4 H4 108.2 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P1 C7 H7 106.8 . . ?
C8 C7 P1 114.7(3) . . ?
C8 C7 H7 106.8 . . ?
C8 C7 C9 110.9(3) . . ?
C9 C7 P1 110.3(2) . . ?
C9 C7 H7 106.8 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P2 C10 H10 106.9 . . ?
C11 C10 P2 114.3(3) . . ?
C11 C10 H10 106.9 . . ?
C12 C10 P2 110.9(2) . . ?
C12 C10 H10 106.9 . . ?
C12 C10 C11 110.6(3) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P2 C13 H13 106.7 . . ?
C14 C13 P2 114.9(3) . . ?
C14 C13 H13 106.7 . . ?
C14 C13 C15 111.0(3) . . ?
C15 C13 P2 110.5(2) . . ?
C15 C13 H13 106.7 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
P2 C16 H16 108.1 . . ?
C17 C16 P2 110.6(3) . . ?
C17 C16 H16 108.1 . . ?
C18 C16 P2 111.1(3) . . ?
C18 C16 H16 108.1 . . ?
C18 C16 C17 110.7(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C23 C24 110.9(3) . . ?
O1 C23 C25 112.8(3) . . ?
O1 C23 C26 107.3(3) . . ?
C24 C23 C25 108.1(3) . . ?
C26 C23 C24 109.0(3) . . ?
C26 C23 C25 108.6(3) . . ?
F10 C24 F11 107.7(4) . . ?
F10 C24 C23 110.7(3) . . ?
F11 C24 C23 112.8(4) . . ?
F12 C24 F10 107.0(4) . . ?
F12 C24 F11 106.8(4) . . ?
F12 C24 C23 111.6(3) . . ?
F13 C25 F14 106.2(3) . . ?
F13 C25 F15 108.7(3) . . ?
F13 C25 C23 111.3(3) . . ?
F14 C25 C23 110.0(3) . . ?
F15 C25 F14 106.3(3) . . ?
F15 C25 C23 114.0(3) . . ?
F16 C26 F18 106.7(3) . . ?
F16 C26 C23 111.4(3) . . ?
F17 C26 F16 107.3(3) . . ?
F17 C26 F18 106.3(3) . . ?
F17 C26 C23 111.3(3) . . ?
F18 C26 C23 113.5(3) . . ?
O2 C19 C20 107.8(3) . . ?
O2 C19 C21 111.0(3) . . ?
O2 C19 C22 112.9(3) . . ?
C21 C19 C20 108.4(3) . . ?
C21 C19 C22 108.4(3) . . ?
C22 C19 C20 108.1(3) . . ?
F1 C20 F3 107.5(3) . . ?
F1 C20 C19 111.1(3) . . ?
F2 C20 F1 106.5(4) . . ?
F2 C20 F3 106.4(3) . . ?
F2 C20 C19 111.1(3) . . ?
F3 C20 C19 113.8(3) . . ?
F7 C21 C19 113.4(3) . . ?
F8 C21 F7 106.9(4) . . ?
F8 C21 C19 111.6(3) . . ?
F9 C21 F7 106.7(3) . . ?
F9 C21 F8 107.2(3) . . ?
F9 C21 C19 110.7(3) . . ?
F4 C22 C19 113.3(3) . . ?
F5 C22 F4 106.8(3) . . ?
F5 C22 F6 106.9(3) . . ?
F5 C22 C19 111.4(3) . . ?
F6 C22 F4 106.7(4) . . ?
F6 C22 C19 111.3(3) . . ?

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 P1 C1 C2 27.1(3) . . . . ?
Au1 P1 C1 C3 154.3(3) . . . . ?
Au1 P1 C4 C5 66.7(3) . . . . ?
Au1 P1 C4 C6 -57.2(3) . . . . ?
Au1 P1 C7 C8 -174.9(2) . . . . ?
Au1 P1 C7 C9 59.1(2) . . . . ?
Au1 P2 C10 C11 154.3(3) . . . . ?
Au1 P2 C10 C12 28.4(3) . . . . ?
Au1 P2 C13 C14 -178.5(2) . . . . ?
Au1 P2 C13 C15 55.0(3) . . . . ?
Au1 P2 C16 C17 65.9(3) . . . . ?
Au1 P2 C16 C18 -57.5(3) . . . . ?
O1 C23 C24 F10 -46.2(4) . . . . ?
O1 C23 C24 F11 -167.0(3) . . . . ?
O1 C23 C24 F12 72.8(4) . . . . ?
O1 C23 C25 F13 74.2(4) . . . . ?
O1 C23 C25 F14 -43.1(4) . . . . ?
O1 C23 C25 F15 -162.4(3) . . . . ?
O1 C23 C26 F16 73.3(4) . . . . ?
O1 C23 C26 F17 -46.4(4) . . . . ?
O1 C23 C26 F18 -166.3(3) . . . . ?
O2 C19 C20 F1 72.8(4) . . . . ?
O2 C19 C20 F2 -45.6(4) . . . . ?
O2 C19 C20 F3 -165.7(3) . . . . ?
O2 C19 C21 F7 -158.7(3) . . . . ?
O2 C19 C21 F8 80.4(4) . . . . ?
O2 C19 C21 F9 -38.9(4) . . . . ?
O2 C19 C22 F4 -168.6(3) . . . . ?
O2 C19 C22 F5 70.9(4) . . . . ?
O2 C19 C22 F6 -48.3(5) . . . . ?
C1 P1 C4 C5 -169.4(3) . . . . ?
C1 P1 C4 C6 66.7(3) . . . . ?
C1 P1 C7 C8 62.5(3) . . . . ?
C1 P1 C7 C9 -63.5(3) . . . . ?
C4 P1 C1 C2 -96.2(3) . . . . ?
C4 P1 C1 C3 31.0(3) . . . . ?
C4 P1 C7 C8 -54.2(3) . . . . ?
C4 P1 C7 C9 179.8(2) . . . . ?
C7 P1 C1 C2 148.5(3) . . . . ?
C7 P1 C1 C3 -84.3(3) . . . . ?
C7 P1 C4 C5 -53.5(3) . . . . ?
C7 P1 C4 C6 -177.4(3) . . . . ?
C10 P2 C13 C14 58.9(3) . . . . ?
C10 P2 C13 C15 -67.6(3) . . . . ?
C10 P2 C16 C17 -171.1(3) . . . . ?
C10 P2 C16 C18 65.6(3) . . . . ?
C13 P2 C10 C11 -83.8(3) . . . . ?
C13 P2 C10 C12 150.3(3) . . . . ?
C13 P2 C16 C17 -54.6(3) . . . . ?
C13 P2 C16 C18 -177.9(3) . . . . ?
C16 P2 C10 C11 31.4(3) . . . . ?
C16 P2 C10 C12 -94.4(3) . . . . ?
C16 P2 C13 C14 -57.6(3) . . . . ?
C16 P2 C13 C15 175.9(3) . . . . ?
C24 C23 C25 F13 -48.8(4) . . . . ?
C24 C23 C25 F14 -166.2(3) . . . . ?
C24 C23 C25 F15 74.6(4) . . . . ?
C24 C23 C26 F16 -166.5(3) . . . . ?
C24 C23 C26 F17 73.8(4) . . . . ?
C24 C23 C26 F18 -46.1(4) . . . . ?
C25 C23 C24 F10 78.0(4) . . . . ?
C25 C23 C24 F11 -42.8(4) . . . . ?
C25 C23 C24 F12 -163.0(3) . . . . ?
C25 C23 C26 F16 -48.9(4) . . . . ?
C25 C23 C26 F17 -168.6(3) . . . . ?
C25 C23 C26 F18 71.5(4) . . . . ?
C26 C23 C24 F10 -164.2(3) . . . . ?
C26 C23 C24 F11 75.1(4) . . . . ?
C26 C23 C24 F12 -45.1(4) . . . . ?
C26 C23 C25 F13 -167.0(3) . . . . ?
C26 C23 C25 F14 75.7(3) . . . . ?
C26 C23 C25 F15 -43.6(4) . . . . ?
C20 C19 C21 F7 -40.5(4) . . . . ?
C20 C19 C21 F8 -161.4(3) . . . . ?
C20 C19 C21 F9 79.3(4) . . . . ?
C20 C19 C22 F4 72.2(4) . . . . ?
C20 C19 C22 F5 -48.3(4) . . . . ?
C20 C19 C22 F6 -167.5(3) . . . . ?
C21 C19 C20 F1 -47.5(4) . . . . ?
C21 C19 C20 F2 -165.9(3) . . . . ?
C21 C19 C20 F3 74.1(4) . . . . ?
C21 C19 C22 F4 -45.1(4) . . . . ?
C21 C19 C22 F5 -165.6(3) . . . . ?
C21 C19 C22 F6 75.1(4) . . . . ?
C22 C19 C20 F1 -164.8(3) . . . . ?
C22 C19 C20 F2 76.8(4) . . . . ?
C22 C19 C20 F3 -43.3(4) . . . . ?
C22 C19 C21 F7 76.7(4) . . . . ?
C22 C19 C21 F8 -44.2(4) . . . . ?
C22 C19 C21 F9 -163.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
