# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_CHB262_a
_database_code_depnum_ccdc_archive 'CCDC 1538015'
_audit_update_record             
;
2017-03-14 deposited with the CCDC.
2017-04-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H37 Au F6 O P Sb'
_chemical_formula_weight         877.28

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'
Sb Sb -0.5866 1.5461 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   12.9887(7)
_cell_length_b                   15.9169(9)
_cell_length_c                   15.3964(7)
_cell_angle_alpha                90
_cell_angle_beta                 106.6993(18)
_cell_angle_gamma                90
_cell_volume                     3048.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9599
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      28.34

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.911
_exptl_crystal_F_000             1696
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    5.804
_shelx_estimated_absorpt_T_min   0.205
_shelx_estimated_absorpt_T_max   0.543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4903
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            51528
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         5.124
_diffrn_reflns_theta_max         28.343
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             7564
_reflns_number_gt                6949
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0173P)²+4.4477P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7564
_refine_ls_number_parameters     459
_refine_ls_number_restraints     252
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0191
_refine_ls_wR_factor_ref         0.0463
_refine_ls_wR_factor_gt          0.0450
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.256
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.23584(2) 0.08511(2) 0.14797(2) 0.02002(3) Uani 1 1 d . . . . .
O1 O 0.3559(2) 0.23714(18) -0.10313(17) 0.0575(7) Uani 1 1 d . . . . .
C1 C 0.33581(19) -0.00886(15) 0.22346(16) 0.0238(5) Uani 1 1 d . . . . .
H1 H 0.3695 0.0085 0.2878 0.029 Uiso 1 1 calc R U . . .
C2 C 0.41924(19) -0.01441(16) 0.16888(17) 0.0271(5) Uani 1 1 d . . . . .
H2 H 0.4931 -0.0038 0.2099 0.033 Uiso 1 1 calc R U . . .
C3 C 0.4089(2) -0.10620(18) 0.1373(2) 0.0350(6) Uani 1 1 d . . . . .
H3 H 0.4365 -0.1179 0.0842 0.042 Uiso 1 1 calc R U . . .
C4 C 0.4604(2) -0.15986(19) 0.2219(2) 0.0426(7) Uani 1 1 d . . . . .
H4A H 0.5307 -0.1365 0.2570 0.051 Uiso 1 1 calc R U . . .
H4B H 0.4706 -0.2186 0.2051 0.051 Uiso 1 1 calc R U . . .
C5 C 0.3775(2) -0.15462(18) 0.2766(2) 0.0397(7) Uani 1 1 d . . . . .
H5A H 0.3490 -0.2109 0.2846 0.048 Uiso 1 1 calc R U . . .
H5B H 0.4096 -0.1290 0.3370 0.048 Uiso 1 1 calc R U . . .
C6 C 0.2886(2) -0.09791(16) 0.21664(19) 0.0292(5) Uani 1 1 d . . . . .
H6 H 0.2172 -0.1021 0.2288 0.035 Uiso 1 1 calc R U . . .
C7 C 0.2894(2) -0.12492(18) 0.1214(2) 0.0339(6) Uani 1 1 d . . . . .
H7A H 0.2718 -0.1851 0.1092 0.041 Uiso 1 1 calc R U . . .
H7B H 0.2425 -0.0897 0.0730 0.041 Uiso 1 1 calc R U . . .
C8 C 0.3895(2) 0.05316(18) 0.09515(18) 0.0289(5) Uani 1 1 d . . . . .
C9 C 0.4130(2) 0.13721(19) 0.1204(2) 0.0324(6) Uani 1 1 d . . . . .
H9 H 0.440(3) 0.148(2) 0.181(2) 0.039 Uiso 1 1 d . U . . .
C10 C 0.4031(2) 0.2015(2) 0.0564(2) 0.0385(6) Uani 1 1 d . . . . .
H10 H 0.4192 0.2580 0.0752 0.046 Uiso 1 1 calc R U . . .
C11 C 0.3692(2) 0.1809(2) -0.0351(2) 0.0403(7) Uani 1 1 d . . . . .
C12 C 0.3446(2) 0.0982(2) -0.0616(2) 0.0426(7) Uani 1 1 d . . . . .
H12 H 0.3210 0.0847 -0.1243 0.051 Uiso 1 1 calc R U . . .
C13 C 0.3538(2) 0.0357(2) 0.00130(19) 0.0366(6) Uani 1 1 d . . . . .
H13 H 0.3358 -0.0203 -0.0185 0.044 Uiso 1 1 calc R U . . .
C14 C 0.3779(4) 0.3237(3) -0.0797(3) 0.0732(13) Uani 1 1 d . . . . .
H14A H 0.3293 0.3437 -0.0459 0.110 Uiso 1 1 calc R U . . .
H14B H 0.3671 0.3571 -0.1351 0.110 Uiso 1 1 calc R U . . .
H14C H 0.4525 0.3296 -0.0420 0.110 Uiso 1 1 calc R U . . .
C15 C 0.12316(19) 0.07618(14) 0.21619(16) 0.0211(4) Uani 1 1 d . . . . .
C16 C 0.02197(19) 0.11655(14) 0.17813(15) 0.0209(4) Uani 1 1 d . . . . .
C17 C 0.00152(19) 0.17043(15) 0.10088(16) 0.0240(5) Uani 1 1 d . . . . .
C18 C -0.0970(2) 0.20834(18) 0.06773(19) 0.0326(6) Uani 1 1 d . . . . .
H18 H -0.1096 0.2446 0.0167 0.039 Uiso 1 1 calc R U . . .
C19 C -0.1794(2) 0.1941(2) 0.1084(2) 0.0403(7) Uani 1 1 d . . . . .
H19 H -0.2477 0.2198 0.0839 0.048 Uiso 1 1 calc R U . . .
C20 C -0.1619(2) 0.1439(2) 0.1826(2) 0.0365(6) Uani 1 1 d . . . . .
H20 H -0.2183 0.1352 0.2096 0.044 Uiso 1 1 calc R U . . .
C21 C -0.0615(2) 0.10438(16) 0.22028(17) 0.0271(5) Uani 1 1 d . . . . .
C22 C -0.0407(2) 0.05500(18) 0.29978(18) 0.0315(6) Uani 1 1 d . . . . .
H22 H -0.0967 0.0448 0.3268 0.038 Uiso 1 1 calc R U . . .
C23 C 0.0580(2) 0.02210(17) 0.33773(18) 0.0317(6) Uani 1 1 d . . . . .
H23 H 0.0718 -0.0083 0.3930 0.038 Uiso 1 1 calc R U . . .
C24 C 0.1409(2) 0.03260(15) 0.29594(16) 0.0258(5) Uani 1 1 d . . . . .
H24 H 0.2098 0.0091 0.3235 0.031 Uiso 1 1 calc R U . . .
P1 P 0.11552(5) 0.18747(4) 0.05837(4) 0.02158(12) Uani 1 1 d D . . . .
C25 C 0.0842(4) 0.1672(2) -0.0645(2) 0.0240(8) Uani 0.758(7) 1 d D U P A 1
H25 H 0.1543 0.1691 -0.0793 0.029 Uiso 0.758(7) 1 calc R U P A 1
C26 C 0.0109(4) 0.2304(3) -0.1271(3) 0.0440(12) Uani 0.758(7) 1 d D U P A 1
H26A H -0.0025 0.2123 -0.1902 0.066 Uiso 0.758(7) 1 calc R U P A 1
H26B H 0.0455 0.2857 -0.1190 0.066 Uiso 0.758(7) 1 calc R U P A 1
H26C H -0.0575 0.2338 -0.1122 0.066 Uiso 0.758(7) 1 calc R U P A 1
C27 C 0.0426(7) 0.0772(4) -0.0833(6) 0.0366(18) Uani 0.758(7) 1 d D U P A 1
H27A H -0.0248 0.0714 -0.0673 0.055 Uiso 0.758(7) 1 calc R U P A 1
H27B H 0.0960 0.0381 -0.0468 0.055 Uiso 0.758(7) 1 calc R U P A 1
H27C H 0.0300 0.0644 -0.1478 0.055 Uiso 0.758(7) 1 calc R U P A 1
C25' C 0.0396(11) 0.1827(8) -0.0653(7) 0.025(2) Uani 0.242(7) 1 d D U P A 2
H25' H -0.0312 0.2114 -0.0743 0.030 Uiso 0.242(7) 1 calc R U P A 2
C26' C 0.0982(10) 0.2252(8) -0.1250(7) 0.037(3) Uani 0.242(7) 1 d D U P A 2
H26D H 0.1703 0.2010 -0.1131 0.055 Uiso 0.242(7) 1 calc R U P A 2
H26E H 0.1040 0.2855 -0.1117 0.055 Uiso 0.242(7) 1 calc R U P A 2
H26F H 0.0583 0.2165 -0.1888 0.055 Uiso 0.242(7) 1 calc R U P A 2
C27' C 0.018(2) 0.0905(10) -0.0919(19) 0.030(4) Uani 0.242(7) 1 d D U P A 2
H27D H 0.0135 0.0836 -0.1562 0.045 Uiso 0.242(7) 1 calc R U P A 2
H27E H -0.0494 0.0728 -0.0815 0.045 Uiso 0.242(7) 1 calc R U P A 2
H27F H 0.0773 0.0560 -0.0552 0.045 Uiso 0.242(7) 1 calc R U P A 2
C28 C 0.1585(2) 0.29696(16) 0.08397(18) 0.0315(6) Uani 1 1 d . . . . .
H28 H 0.2099 0.3108 0.0486 0.038 Uiso 1 1 calc R U . . .
C29 C 0.0681(3) 0.36175(19) 0.0593(2) 0.0472(8) Uani 1 1 d . . . . .
H29A H 0.0202 0.3533 0.0975 0.071 Uiso 1 1 calc R U . . .
H29B H 0.0272 0.3551 -0.0046 0.071 Uiso 1 1 calc R U . . .
H29C H 0.0988 0.4184 0.0691 0.071 Uiso 1 1 calc R U . . .
C30 C 0.2201(3) 0.3039(2) 0.1849(2) 0.0517(9) Uani 1 1 d . . . . .
H30A H 0.2449 0.3618 0.1989 0.078 Uiso 1 1 calc R U . . .
H30B H 0.2822 0.2660 0.1988 0.078 Uiso 1 1 calc R U . . .
H30C H 0.1726 0.2882 0.2215 0.078 Uiso 1 1 calc R U . . .
Sb1 Sb 0.67339(13) 0.07059(10) 0.40724(16) 0.0363(2) Uani 0.669(5) 1 d D . P B
1
F1 F 0.7572(6) -0.0092(5) 0.4818(4) 0.173(3) Uani 0.669(5) 1 d D U P B 1
F2 F 0.7851(5) 0.1426(4) 0.4059(5) 0.127(2) Uani 0.669(5) 1 d D U P B 1
F3 F 0.5706(5) 0.1332(4) 0.3273(4) 0.120(2) Uani 0.669(5) 1 d D U P B 1
F4 F 0.6917(3) 0.0164(3) 0.3057(3) 0.0613(12) Uani 0.669(5) 1 d D U P B 1
F5 F 0.5603(6) 0.0031(5) 0.4065(5) 0.134(3) Uani 0.669(5) 1 d D U P B 1
F6 F 0.6617(4) 0.1221(5) 0.5115(4) 0.103(2) Uani 0.669(5) 1 d D U P B 1
Sb1' Sb 0.6784(3) 0.0758(2) 0.4223(3) 0.0484(8) Uani 0.331(5) 1 d D U P B 2
F1' F 0.8239(5) 0.0802(9) 0.4559(6) 0.090(3) Uani 0.331(5) 1 d D U P B 2
F2' F 0.7085(10) -0.0055(8) 0.3513(9) 0.122(4) Uani 0.331(5) 1 d D U P B 2
F3' F 0.6536(13) 0.1464(8) 0.3242(8) 0.135(4) Uani 0.331(5) 1 d D U P B 2
F4' F 0.5348(6) 0.0464(8) 0.3870(8) 0.084(3) Uani 0.331(5) 1 d D U P B 2
F5' F 0.6397(8) 0.1759(7) 0.4723(8) 0.095(3) Uani 0.331(5) 1 d D U P B 2
F6' F 0.6880(12) 0.0247(11) 0.5248(8) 0.159(4) Uani 0.331(5) 1 d D U 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 C15 2.037(2) . ?
Au1 C1 2.099(2) . ?
Au1 P1 2.4002(6) . ?
Au1 C8 2.416(2) . ?
Au1 C9 2.593(3) . ?
O1 C11 1.351(4) . ?
O1 C14 1.433(5) . ?
C1 C6 1.536(3) . ?
C1 C2 1.553(3) . ?
C1 H1 1.0000 . ?
C2 C8 1.531(4) . ?
C2 C3 1.533(4) . ?
C2 H2 1.0000 . ?
C3 C7 1.529(4) . ?
C3 C4 1.540(4) . ?
C3 H3 1.0000 . ?
C4 C5 1.549(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.545(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.532(4) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.402(4) . ?
C8 C13 1.412(4) . ?
C9 C10 1.400(4) . ?
C9 H9 0.92(3) . ?
C10 C11 1.389(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(5) . ?
C12 C13 1.369(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C24 1.371(3) . ?
C15 C16 1.429(3) . ?
C16 C21 1.428(3) . ?
C16 C17 1.428(3) . ?
C17 C18 1.374(3) . ?
C17 P1 1.803(3) . ?
C18 C19 1.404(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.359(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.414(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.414(4) . ?
C22 C23 1.353(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.413(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
P1 C28 1.838(3) . ?
P1 C25 1.846(3) . ?
P1 C25' 1.878(10) . ?
C25 C26 1.523(5) . ?
C25 C27 1.528(6) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C25' C26' 1.511(13) . ?
C25' C27' 1.527(14) . ?
C25' H25' 1.0000 . ?
C26' H26D 0.9800 . ?
C26' H26E 0.9800 . ?
C26' H26F 0.9800 . ?
C27' H27D 0.9800 . ?
C27' H27E 0.9800 . ?
C27' H27F 0.9800 . ?
C28 C29 1.527(4) . ?
C28 C30 1.534(4) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
Sb1 F5 1.816(6) . ?
Sb1 F3 1.829(4) . ?
Sb1 F1 1.844(5) . ?
Sb1 F6 1.847(4) . ?
Sb1 F2 1.853(4) . ?
Sb1 F4 1.860(4) . ?
Sb1' F6' 1.748(10) . ?
Sb1' F2' 1.807(10) . ?
Sb1' F1' 1.811(7) . ?
Sb1' F3' 1.835(9) . ?
Sb1' F4' 1.846(8) . ?
Sb1' F5' 1.900(9) . ?

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
C15 Au1 C1 94.97(9) . . ?
C15 Au1 P1 84.15(7) . . ?
C1 Au1 P1 177.29(7) . . ?
C15 Au1 C8 160.81(9) . . ?
C1 Au1 C8 66.23(9) . . ?
P1 Au1 C8 114.45(7) . . ?
C15 Au1 C9 155.45(9) . . ?
C1 Au1 C9 83.20(9) . . ?
P1 Au1 C9 98.67(7) . . ?
C8 Au1 C9 32.27(9) . . ?
C11 O1 C14 118.1(3) . . ?
C6 C1 C2 103.7(2) . . ?
C6 C1 Au1 116.64(16) . . ?
C2 C1 Au1 99.07(15) . . ?
C6 C1 H1 112.1 . . ?
C2 C1 H1 112.1 . . ?
Au1 C1 H1 112.1 . . ?
C8 C2 C3 117.0(2) . . ?
C8 C2 C1 107.15(19) . . ?
C3 C2 C1 102.4(2) . . ?
C8 C2 H2 110.0 . . ?
C3 C2 H2 110.0 . . ?
C1 C2 H2 110.0 . . ?
C7 C3 C2 103.2(2) . . ?
C7 C3 C4 101.6(2) . . ?
C2 C3 C4 106.5(2) . . ?
C7 C3 H3 114.7 . . ?
C2 C3 H3 114.7 . . ?
C4 C3 H3 114.7 . . ?
C3 C4 C5 103.2(2) . . ?
C3 C4 H4A 111.1 . . ?
C5 C4 H4A 111.1 . . ?
C3 C4 H4B 111.1 . . ?
C5 C4 H4B 111.1 . . ?
H4A C4 H4B 109.1 . . ?
C6 C5 C4 102.9(2) . . ?
C6 C5 H5A 111.2 . . ?
C4 C5 H5A 111.2 . . ?
C6 C5 H5B 111.2 . . ?
C4 C5 H5B 111.2 . . ?
H5A C5 H5B 109.1 . . ?
C7 C6 C1 102.2(2) . . ?
C7 C6 C5 101.5(2) . . ?
C1 C6 C5 106.5(2) . . ?
C7 C6 H6 115.0 . . ?
C1 C6 H6 115.0 . . ?
C5 C6 H6 115.0 . . ?
C3 C7 C6 94.4(2) . . ?
C3 C7 H7A 112.8 . . ?
C6 C7 H7A 112.8 . . ?
C3 C7 H7B 112.8 . . ?
C6 C7 H7B 112.8 . . ?
H7A C7 H7B 110.3 . . ?
C9 C8 C13 116.9(3) . . ?
C9 C8 C2 118.4(2) . . ?
C13 C8 C2 124.0(3) . . ?
C9 C8 Au1 80.82(16) . . ?
C13 C8 Au1 108.97(18) . . ?
C2 C8 Au1 87.42(14) . . ?
C10 C9 C8 122.2(3) . . ?
C10 C9 Au1 116.24(19) . . ?
C8 C9 Au1 66.92(14) . . ?
C10 C9 H9 121(2) . . ?
C8 C9 H9 117(2) . . ?
Au1 C9 H9 89(2) . . ?
C11 C10 C9 118.7(3) . . ?
C11 C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
O1 C11 C12 115.7(3) . . ?
O1 C11 C10 124.3(3) . . ?
C12 C11 C10 120.1(3) . . ?
C13 C12 C11 121.0(3) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C8 121.2(3) . . ?
C12 C13 H13 119.4 . . ?
C8 C13 H13 119.4 . . ?
O1 C14 H14A 109.5 . . ?
O1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C24 C15 C16 119.5(2) . . ?
C24 C15 Au1 122.45(18) . . ?
C16 C15 Au1 118.02(17) . . ?
C21 C16 C17 118.4(2) . . ?
C21 C16 C15 118.8(2) . . ?
C17 C16 C15 122.7(2) . . ?
C18 C17 C16 120.2(2) . . ?
C18 C17 P1 125.0(2) . . ?
C16 C17 P1 114.64(17) . . ?
C17 C18 C19 120.8(3) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C20 C19 C18 120.3(3) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 121.2(3) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C22 C21 C20 121.8(2) . . ?
C22 C21 C16 119.2(2) . . ?
C20 C21 C16 119.0(2) . . ?
C23 C22 C21 120.7(2) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 120.6(2) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C15 C24 C23 120.9(2) . . ?
C15 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C17 P1 C28 107.18(12) . . ?
C17 P1 C25 112.56(16) . . ?
C28 P1 C25 110.47(14) . . ?
C17 P1 C25' 96.6(4) . . ?
C28 P1 C25' 107.1(4) . . ?
C17 P1 Au1 98.99(8) . . ?
C28 P1 Au1 114.39(9) . . ?
C25 P1 Au1 112.68(14) . . ?
C25' P1 Au1 128.4(4) . . ?
C26 C25 C27 112.1(4) . . ?
C26 C25 P1 116.5(3) . . ?
C27 C25 P1 108.6(4) . . ?
C26 C25 H25 106.3 . . ?
C27 C25 H25 106.3 . . ?
P1 C25 H25 106.3 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26' C25' C27' 110.5(15) . . ?
C26' C25' P1 112.9(8) . . ?
C27' C25' P1 108.2(11) . . ?
C26' C25' H25' 108.4 . . ?
C27' C25' H25' 108.4 . . ?
P1 C25' H25' 108.4 . . ?
C25' C26' H26D 109.5 . . ?
C25' C26' H26E 109.5 . . ?
H26D C26' H26E 109.5 . . ?
C25' C26' H26F 109.5 . . ?
H26D C26' H26F 109.5 . . ?
H26E C26' H26F 109.5 . . ?
C25' C27' H27D 109.5 . . ?
C25' C27' H27E 109.5 . . ?
H27D C27' H27E 109.5 . . ?
C25' C27' H27F 109.5 . . ?
H27D C27' H27F 109.5 . . ?
H27E C27' H27F 109.5 . . ?
C29 C28 C30 110.1(3) . . ?
C29 C28 P1 115.0(2) . . ?
C30 C28 P1 108.84(19) . . ?
C29 C28 H28 107.5 . . ?
C30 C28 H28 107.5 . . ?
P1 C28 H28 107.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
F5 Sb1 F3 83.4(3) . . ?
F5 Sb1 F1 85.9(4) . . ?
F3 Sb1 F1 168.7(4) . . ?
F5 Sb1 F6 90.0(3) . . ?
F3 Sb1 F6 96.7(3) . . ?
F1 Sb1 F6 86.9(3) . . ?
F5 Sb1 F2 177.8(4) . . ?
F3 Sb1 F2 94.5(4) . . ?
F1 Sb1 F2 96.2(4) . . ?
F6 Sb1 F2 89.7(3) . . ?
F5 Sb1 F4 91.1(3) . . ?
F3 Sb1 F4 86.1(2) . . ?
F1 Sb1 F4 90.5(3) . . ?
F6 Sb1 F4 177.1(3) . . ?
F2 Sb1 F4 89.3(2) . . ?
F6' Sb1' F2' 104.0(8) . . ?
F6' Sb1' F1' 87.8(6) . . ?
F2' Sb1' F1' 79.1(5) . . ?
F6' Sb1' F3' 168.0(8) . . ?
F2' Sb1' F3' 87.6(7) . . ?
F1' Sb1' F3' 97.7(6) . . ?
F6' Sb1' F4' 87.2(6) . . ?
F2' Sb1' F4' 91.0(5) . . ?
F1' Sb1' F4' 167.6(6) . . ?
F3' Sb1' F4' 89.4(6) . . ?
F6' Sb1' F5' 89.0(7) . . ?
F2' Sb1' F5' 167.0(6) . . ?
F1' Sb1' F5' 103.1(5) . . ?
F3' Sb1' F5' 79.4(6) . . ?
F4' Sb1' F5' 88.2(5) . . ?

_refine_diff_density_max         0.773
_refine_diff_density_min         -0.922
_refine_diff_density_rms         0.078



####################################################################### 
# 
# 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_feriel18_0t
_database_code_depnum_ccdc_archive 'CCDC 1526613'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-04-18 downloaded from the CCDC.
;


#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C22 H25 Au I P'
_chemical_formula_sum            'C22 H25 Au I P'
_chemical_formula_weight         644.26
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_Int_Tables_number      4
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   8.4290(3)
_cell_length_b                   10.7662(3)
_cell_length_c                   11.6292(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.266(2)
_cell_angle_gamma                90
_cell_volume                     1052.41(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9969
_cell_measurement_theta_min      3.81
_cell_measurement_theta_max      78.33
_cell_measurement_wavelength     1.54178

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    2.033
_exptl_crystal_F_000             608
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    25.366
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 '(TWINABS; Bruker, 2008/2)'
;
_exptl_absorpt_correction_T_min  0.3513
_exptl_absorpt_correction_T_max  0.7542

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_number            3003
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         11.268
_diffrn_reflns_theta_max         74.491
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.521
_diffrn_reflns_point_group_measured_fraction_max 0.515
_reflns_number_total             2196
_reflns_number_gt                2064
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_cell_refinement       'APEX2 and SAINT (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2013)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2013)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         2196
_refine_ls_number_parameters     231
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0406
_refine_ls_wR_factor_ref         0.1155
_refine_ls_wR_factor_gt          0.1109
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_restrained_S_all      0.934
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_abs_structure_details 
;
No quotients, so Flack parameter determined by classical intensity fit
;
_refine_ls_abs_structure_Flack   0.098(13)
_refine_diff_density_max         1.558
_refine_diff_density_min         -1.107
_refine_diff_density_rms         0.221

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.298 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.17600(6) 0.24831(5) 0.27603(4) 0.02171(17) Uani 1 d . .
I1 I 0.04265(13) 0.23161(12) 0.47509(8) 0.0401(3) Uani 1 d . .
P1 P 0.0467(5) 0.0732(3) 0.1943(3) 0.0234(7) Uani 1 d . .
C1 C 0.2757(16) 0.2624(17) 0.1204(9) 0.021(2) Uani 1 d . .
C2 C 0.2327(19) 0.1720(13) 0.0313(10) 0.022(3) Uani 1 d . .
C3 C 0.1142(17) 0.0778(14) 0.0502(12) 0.023(3) Uani 1 d . .
C4 C 0.070(2) -0.0066(17) -0.0361(13) 0.037(4) Uani 1 d . .
H4 H -0.0022 -0.0722 -0.0227 0.045 Uiso 1 calc . .
C5 C 0.4110(17) 0.2700(13) -0.0974(11) 0.024(3) Uani 1 d . .
H5 H 0.4569 0.2731 -0.1696 0.029 Uiso 1 calc . .
C6 C 0.301(2) 0.1788(17) -0.0749(11) 0.030(4) Uani 1 d . .
C7 C 0.250(3) 0.0893(14) -0.1621(13) 0.035(4) Uani 1 d . .
H7 H 0.3001 0.0882 -0.2328 0.042 Uiso 1 calc . .
C8 C 0.133(3) 0.0071(17) -0.1453(12) 0.039(4) Uani 1 d . .
H8 H 0.0926 -0.0429 -0.208 0.047 Uiso 1 calc . .
C9 C 0.452(2) 0.3569(17) -0.0116(15) 0.038(4) Uani 1 d . .
H9 H 0.529 0.4189 -0.0248 0.046 Uiso 1 calc . .
C10 C 0.3211(18) 0.3894(14) 0.3436(12) 0.025(3) Uani 1 d . .
C11 C 0.262(2) 0.5063(15) 0.3716(15) 0.036(4) Uani 1 d . .
H11 H 0.1516 0.523 0.3603 0.043 Uiso 1 calc . .
C12 C 0.3830(19) 0.3540(15) 0.0927(12) 0.027(3) Uani 1 d . .
H12 H 0.4098 0.4173 0.1477 0.032 Uiso 1 calc . .
C13 C 0.309(3) -0.0507(18) 0.2807(14) 0.042(4) Uani 1 d . .
H13A H 0.3469 -0.0085 0.2133 0.063 Uiso 1 calc . .
H13B H 0.3588 -0.1328 0.2889 0.063 Uiso 1 calc . .
H13C H 0.3368 -0.0014 0.35 0.063 Uiso 1 calc . .
C14 C 0.368(2) 0.6004(16) 0.4169(14) 0.037(4) Uani 1 d . .
H14 H 0.3298 0.6817 0.4305 0.044 Uiso 1 calc . .
C15 C -0.245(3) 0.168(2) 0.121(2) 0.058(6) Uani 1 d . .
H15A H -0.1887 0.1877 0.0521 0.088 Uiso 1 calc . .
H15B H -0.2349 0.2374 0.1749 0.088 Uiso 1 calc . .
H15C H -0.3573 0.1527 0.0979 0.088 Uiso 1 calc . .
C17 C -0.1719(18) 0.0517(15) 0.1780(15) 0.026(3) Uani 1 d . .
H17 H -0.194 -0.0191 0.1234 0.032 Uiso 1 calc . .
C18 C 0.079(3) -0.1848(15) 0.2107(17) 0.048(5) Uani 1 d . .
H18A H -0.0376 -0.1887 0.2055 0.072 Uiso 1 calc . .
H18B H 0.1224 -0.2543 0.2575 0.072 Uiso 1 calc . .
H18C H 0.1165 -0.1902 0.1331 0.072 Uiso 1 calc . .
C19 C 0.587(2) 0.457(2) 0.4174(13) 0.045(5) Uani 1 d . .
H19 H 0.6976 0.4409 0.432 0.054 Uiso 1 calc . .
C20 C 0.480(2) 0.3657(15) 0.3714(13) 0.033(4) Uani 1 d . .
H20 H 0.5194 0.2845 0.3592 0.04 Uiso 1 calc . .
C21 C 0.522(3) 0.5732(16) 0.4401(13) 0.038(4) Uani 1 d . .
H21 H 0.5902 0.6357 0.4737 0.046 Uiso 1 calc . .
C22 C 0.132(2) -0.0654(14) 0.2651(12) 0.028(3) Uani 1 d . .
H22 H 0.094 -0.066 0.3444 0.034 Uiso 1 calc . .
C23 C -0.242(2) 0.020(2) 0.2857(15) 0.044(5) Uani 1 d . .
H23A H -0.3486 -0.0144 0.2683 0.066 Uiso 1 calc . .
H23B H -0.2491 0.0949 0.333 0.066 Uiso 1 calc . .
H23C H -0.1749 -0.0416 0.328 0.066 Uiso 1 calc . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.057(12) . ?
Au1 C10 2.068(15) . ?
Au1 P1 2.344(4) . ?
Au1 I1 2.6535(10) . ?
P1 C3 1.810(14) . ?
P1 C22 1.826(16) . ?
P1 C17 1.852(15) . ?
C1 C12 1.39(2) . ?
C1 C2 1.448(19) . ?
C2 C6 1.403(18) . ?
C2 C3 1.45(2) . ?
C3 C4 1.39(2) . ?
C4 C8 1.42(2) . ?
C4 H4 0.95 . ?
C5 C6 1.39(2) . ?
C5 C9 1.39(2) . ?
C5 H5 0.95 . ?
C6 C7 1.44(2) . ?
C7 C8 1.35(3) . ?
C7 H7 0.95 . ?
C8 H8 0.95 . ?
C9 C12 1.39(2) . ?
C9 H9 0.95 . ?
C10 C20 1.38(2) . ?
C10 C11 1.40(2) . ?
C11 C14 1.42(2) . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C22 1.49(3) . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 C21 1.34(3) . ?
C14 H14 0.95 . ?
C15 C17 1.52(3) . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C17 C23 1.46(3) . ?
C17 H17 1 . ?
C18 C22 1.49(2) . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 C21 1.40(3) . ?
C19 C20 1.41(3) . ?
C19 H19 0.95 . ?
C20 H20 0.95 . ?
C21 H21 0.95 . ?
C22 H22 1 . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?

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 C10 90.6(6) . . ?
C1 Au1 P1 84.9(5) . . ?
C10 Au1 P1 171.5(5) . . ?
C1 Au1 I1 179.0(4) . . ?
C10 Au1 I1 89.7(4) . . ?
P1 Au1 I1 94.86(10) . . ?
C3 P1 C22 107.4(7) . . ?
C3 P1 C17 106.7(7) . . ?
C22 P1 C17 107.6(8) . . ?
C3 P1 Au1 100.6(5) . . ?
C22 P1 Au1 108.5(5) . . ?
C17 P1 Au1 124.8(6) . . ?
C12 C1 C2 116.3(12) . . ?
C12 C1 Au1 124.8(11) . . ?
C2 C1 Au1 118.9(11) . . ?
C6 C2 C1 119.8(14) . . ?
C6 C2 C3 120.2(13) . . ?
C1 C2 C3 120.0(12) . . ?
C4 C3 C2 120.1(13) . . ?
C4 C3 P1 124.4(12) . . ?
C2 C3 P1 115.3(10) . . ?
C3 C4 C8 118.5(16) . . ?
C3 C4 H4 120.7 . . ?
C8 C4 H4 120.7 . . ?
C6 C5 C9 118.3(13) . . ?
C6 C5 H5 120.8 . . ?
C9 C5 H5 120.8 . . ?
C5 C6 C2 121.8(14) . . ?
C5 C6 C7 120.5(13) . . ?
C2 C6 C7 117.7(16) . . ?
C8 C7 C6 121.2(15) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C7 C8 C4 121.7(15) . . ?
C7 C8 H8 119.1 . . ?
C4 C8 H8 119.1 . . ?
C12 C9 C5 120.9(16) . . ?
C12 C9 H9 119.6 . . ?
C5 C9 H9 119.6 . . ?
C20 C10 C11 117.8(15) . . ?
C20 C10 Au1 119.4(12) . . ?
C11 C10 Au1 122.6(12) . . ?
C10 C11 C14 120.2(17) . . ?
C10 C11 H11 119.9 . . ?
C14 C11 H11 119.9 . . ?
C9 C12 C1 122.8(15) . . ?
C9 C12 H12 118.6 . . ?
C1 C12 H12 118.6 . . ?
C22 C13 H13A 109.5 . . ?
C22 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C22 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C21 C14 C11 119.3(17) . . ?
C21 C14 H14 120.3 . . ?
C11 C14 H14 120.3 . . ?
C17 C15 H15A 109.5 . . ?
C17 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C17 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C23 C17 C15 113.0(17) . . ?
C23 C17 P1 113.7(11) . . ?
C15 C17 P1 107.9(13) . . ?
C23 C17 H17 107.3 . . ?
C15 C17 H17 107.3 . . ?
P1 C17 H17 107.3 . . ?
C22 C18 H18A 109.5 . . ?
C22 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C22 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C20 116.4(18) . . ?
C21 C19 H19 121.8 . . ?
C20 C19 H19 121.8 . . ?
C10 C20 C19 122.8(17) . . ?
C10 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C14 C21 C19 123.2(17) . . ?
C14 C21 H21 118.4 . . ?
C19 C21 H21 118.4 . . ?
C18 C22 C13 114.2(16) . . ?
C18 C22 P1 114.6(12) . . ?
C13 C22 P1 109.0(11) . . ?
C18 C22 H22 106.1 . . ?
C13 C22 H22 106.1 . . ?
P1 C22 H22 106.1 . . ?
C17 C23 H23A 109.5 . . ?
C17 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C17 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?


# END of CIF
