#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:46:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179863 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/59/7015984.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7015984
loop_
_publ_author_name
'Chia, Eugene Y.'
'Naeem, Saira'
'Delaude, Lionel'
'White, Andrew J. P.'
'Wilton-Ely, James D E T'
_publ_section_title
;
 Gold(i) complexes bearing mixed-donor ligands derived from
 N-heterocyclic carbenes.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6645
_journal_page_last               6658
_journal_paper_doi               10.1039/c0dt01613f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C46 H62 Au N3 P S, F6 P'
_chemical_formula_sum            'C46 H62 Au F6 N3 P2 S'
_chemical_formula_weight         1061.95
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.2760(19)
_cell_angle_beta                 103.2896(18)
_cell_angle_gamma                101.5936(18)
_cell_formula_units_Z            2
_cell_length_a                   10.9296(2)
_cell_length_b                   13.9751(3)
_cell_length_c                   17.0449(3)
_cell_measurement_reflns_used    26312
_cell_measurement_temperature    173
_cell_measurement_theta_max      72.3729
_cell_measurement_theta_min      2.8142
_cell_volume                     2347.48(9)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 8.2556
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'OD Xcalibur PX Ultra'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35425
_diffrn_reflns_theta_full        72.52
_diffrn_reflns_theta_max         72.52
_diffrn_reflns_theta_min         2.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.439
_exptl_absorpt_correction_T_max  0.636
_exptl_absorpt_correction_T_min  0.279
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.640
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       0.00146(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     539
_refine_ls_number_reflns         9279
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0266
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0320P)²+2.0405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0602
_reflns_number_gt                8743
_reflns_number_total             9279
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01613f.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015984
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.443387(9) 0.418905(7) 0.312589(6) 0.02679(5) Uani 1 1 d . . .
S1 S 0.37772(6) 0.24916(5) 0.30750(4) 0.03128(13) Uani 1 1 d . . .
C2 C 0.4105(2) 0.17271(18) 0.21998(15) 0.0244(5) Uani 1 1 d . . .
N3 N 0.5041(2) 0.18351(16) 0.18757(14) 0.0287(4) Uani 1 1 d . . .
C4 C 0.3077(2) 0.07186(19) 0.17657(16) 0.0258(5) Uani 1 1 d . . .
N5 N 0.1845(2) 0.05706(17) 0.13044(14) 0.0299(4) Uani 1 1 d . . .
C6 C 0.1221(3) -0.0477(2) 0.10168(19) 0.0386(6) Uani 1 1 d . . .
H6A H 0.0340 -0.0800 0.0670 0.046 Uiso 1 1 calc R . .
C7 C 0.2080(3) -0.0954(2) 0.13147(19) 0.0381(6) Uani 1 1 d . . .
H7A H 0.1923 -0.1674 0.1225 0.046 Uiso 1 1 calc R . .
N8 N 0.3243(2) -0.01956(16) 0.17793(14) 0.0284(4) Uani 1 1 d . . .
C9 C 0.1274(2) 0.1379(2) 0.11503(16) 0.0291(5) Uani 1 1 d . . .
C10 C 0.0344(3) 0.1617(2) 0.15547(17) 0.0346(6) Uani 1 1 d . . .
C11 C -0.0158(3) 0.2420(3) 0.14218(19) 0.0413(7) Uani 1 1 d . . .
H11A H -0.0803 0.2589 0.1681 0.050 Uiso 1 1 calc R . .
C12 C 0.0254(3) 0.2982(2) 0.09218(19) 0.0393(6) Uani 1 1 d . . .
C13 C 0.1163(3) 0.2708(2) 0.05193(18) 0.0350(6) Uani 1 1 d . . .
H13A H 0.1435 0.3080 0.0167 0.042 Uiso 1 1 calc R . .
C14 C 0.1685(2) 0.1898(2) 0.06194(16) 0.0301(5) Uani 1 1 d . . .
C15 C -0.0089(3) 0.1037(3) 0.2120(2) 0.0480(8) Uani 1 1 d . . .
H15A H -0.0647 0.1374 0.2405 0.072 Uiso 1 1 calc R . .
H15B H 0.0681 0.1036 0.2549 0.072 Uiso 1 1 calc R . .
H15C H -0.0582 0.0324 0.1773 0.072 Uiso 1 1 calc R . .
C16 C -0.0286(4) 0.3860(3) 0.0807(2) 0.0539(8) Uani 1 1 d . . .
H16A H -0.1245 0.3624 0.0622 0.081 Uiso 1 1 calc R . .
H16B H 0.0015 0.4100 0.0375 0.081 Uiso 1 1 calc R . .
H16C H 0.0018 0.4427 0.1349 0.081 Uiso 1 1 calc R . .
C17 C 0.2604(3) 0.1585(3) 0.01308(19) 0.0390(6) Uani 1 1 d . . .
H17A H 0.3500 0.1825 0.0517 0.059 Uiso 1 1 calc R . .
H17B H 0.2560 0.1895 -0.0324 0.059 Uiso 1 1 calc R . .
H17C H 0.2351 0.0831 -0.0119 0.059 Uiso 1 1 calc R . .
C18 C 0.4473(3) -0.03425(19) 0.21906(17) 0.0292(5) Uani 1 1 d . . .
C19 C 0.5309(3) -0.0553(2) 0.17049(18) 0.0352(6) Uani 1 1 d . . .
C20 C 0.6540(3) -0.0585(2) 0.2122(2) 0.0393(6) Uani 1 1 d . . .
H20A H 0.7123 -0.0737 0.1802 0.047 Uiso 1 1 calc R . .
C21 C 0.6946(3) -0.0401(2) 0.2995(2) 0.0366(6) Uani 1 1 d . . .
C22 C 0.6057(3) -0.0235(2) 0.34467(18) 0.0348(6) Uani 1 1 d . . .
H22A H 0.6315 -0.0141 0.4040 0.042 Uiso 1 1 calc R . .
C23 C 0.4803(3) -0.02005(19) 0.30633(17) 0.0305(5) Uani 1 1 d . . .
C24 C 0.4890(4) -0.0723(3) 0.0765(2) 0.0530(8) Uani 1 1 d . . .
H24A H 0.5616 -0.0822 0.0535 0.080 Uiso 1 1 calc R . .
H24B H 0.4642 -0.0120 0.0664 0.080 Uiso 1 1 calc R . .
H24C H 0.4140 -0.1338 0.0481 0.080 Uiso 1 1 calc R . .
C25 C 0.8327(3) -0.0371(3) 0.3434(2) 0.0475(7) Uani 1 1 d . . .
H25A H 0.8427 -0.1072 0.3282 0.071 Uiso 1 1 calc R . .
H25B H 0.8506 -0.0093 0.4053 0.071 Uiso 1 1 calc R . .
H25C H 0.8945 0.0070 0.3253 0.071 Uiso 1 1 calc R . .
C26 C 0.3860(3) -0.0004(2) 0.35672(19) 0.0390(6) Uani 1 1 d . . .
H26A H 0.4244 0.0020 0.4154 0.058 Uiso 1 1 calc R . .
H26B H 0.3040 -0.0561 0.3305 0.058 Uiso 1 1 calc R . .
H26C H 0.3681 0.0656 0.3571 0.058 Uiso 1 1 calc R . .
C27 C 0.6155(2) 0.2714(2) 0.22497(17) 0.0285(5) Uani 1 1 d . . .
C28 C 0.7117(3) 0.2778(3) 0.29641(19) 0.0402(6) Uani 1 1 d . . .
H28A H 0.7001 0.2268 0.3236 0.048 Uiso 1 1 calc R . .
C29 C 0.8256(3) 0.3592(3) 0.3282(2) 0.0483(8) Uani 1 1 d . . .
H29A H 0.8920 0.3635 0.3770 0.058 Uiso 1 1 calc R . .
C30 C 0.8430(3) 0.4340(2) 0.2893(2) 0.0438(7) Uani 1 1 d . . .
H30A H 0.9205 0.4900 0.3118 0.053 Uiso 1 1 calc R . .
C31 C 0.7474(3) 0.4269(2) 0.2177(2) 0.0432(7) Uani 1 1 d . . .
H31A H 0.7591 0.4779 0.1906 0.052 Uiso 1 1 calc R . .
C32 C 0.6335(3) 0.3450(2) 0.1850(2) 0.0371(6) Uani 1 1 d . . .
H32A H 0.5682 0.3398 0.1352 0.044 Uiso 1 1 calc R . .
P41 P 0.49049(6) 0.59231(4) 0.33813(4) 0.02406(12) Uani 1 1 d . . .
C42 C 0.3951(2) 0.64756(19) 0.40589(17) 0.0276(5) Uani 1 1 d . . .
H42A H 0.4487 0.6629 0.4661 0.033 Uiso 1 1 calc R . .
C43 C 0.3706(3) 0.7506(2) 0.39919(19) 0.0320(5) Uani 1 1 d . . .
H43A H 0.4545 0.8005 0.4073 0.038 Uiso 1 1 calc R . .
H43B H 0.3118 0.7389 0.3419 0.038 Uiso 1 1 calc R . .
C44 C 0.3083(3) 0.7948(2) 0.4672(2) 0.0387(6) Uani 1 1 d . . .
H44A H 0.3705 0.8115 0.5245 0.046 Uiso 1 1 calc R . .
H44B H 0.2903 0.8596 0.4613 0.046 Uiso 1 1 calc R . .
C45 C 0.1813(3) 0.7191(2) 0.4595(2) 0.0377(6) Uani 1 1 d . . .
H45A H 0.1150 0.7094 0.4055 0.045 Uiso 1 1 calc R . .
H45B H 0.1477 0.7478 0.5072 0.045 Uiso 1 1 calc R . .
C46 C 0.2021(3) 0.6149(2) 0.4613(2) 0.0370(6) Uani 1 1 d . . .
H46A H 0.1167 0.5658 0.4515 0.044 Uiso 1 1 calc R . .
H46B H 0.2592 0.6231 0.5182 0.044 Uiso 1 1 calc R . .
C47 C 0.2642(3) 0.5708(2) 0.39363(18) 0.0327(5) Uani 1 1 d . . .
H47A H 0.2042 0.5571 0.3362 0.039 Uiso 1 1 calc R . .
H47B H 0.2794 0.5046 0.3980 0.039 Uiso 1 1 calc R . .
C48 C 0.4600(3) 0.6328(2) 0.24290(17) 0.0296(5) Uani 1 1 d . . .
H48A H 0.4711 0.7090 0.2618 0.035 Uiso 1 1 calc R . .
C49 C 0.3189(3) 0.5786(3) 0.18559(19) 0.0416(7) Uani 1 1 d . . .
H49A H 0.3040 0.5029 0.1698 0.050 Uiso 1 1 calc R . .
H49B H 0.2573 0.5976 0.2174 0.050 Uiso 1 1 calc R . .
C50 C 0.2918(3) 0.6090(4) 0.1047(2) 0.0553(9) Uani 1 1 d . . .
H50A H 0.2018 0.5701 0.0677 0.066 Uiso 1 1 calc R . .
H50B H 0.2974 0.6835 0.1204 0.066 Uiso 1 1 calc R . .
C51 C 0.3882(3) 0.5873(3) 0.0556(2) 0.0509(8) Uani 1 1 d . . .
H51A H 0.3710 0.6116 0.0057 0.061 Uiso 1 1 calc R . .
H51B H 0.3767 0.5119 0.0346 0.061 Uiso 1 1 calc R . .
C52 C 0.5282(3) 0.6420(3) 0.1127(2) 0.0440(7) Uani 1 1 d . . .
H52A H 0.5901 0.6244 0.0808 0.053 Uiso 1 1 calc R . .
H52B H 0.5418 0.7176 0.1291 0.053 Uiso 1 1 calc R . .
C53 C 0.5568(3) 0.6111(3) 0.19290(18) 0.0375(6) Uani 1 1 d . . .
H53A H 0.6470 0.6500 0.2296 0.045 Uiso 1 1 calc R . .
H53B H 0.5513 0.5366 0.1768 0.045 Uiso 1 1 calc R . .
C54 C 0.6644(2) 0.65126(19) 0.40001(16) 0.0267(5) Uani 1 1 d . . .
H54A H 0.7163 0.6319 0.3601 0.032 Uiso 1 1 calc R . .
C55 C 0.7020(3) 0.6046(2) 0.4710(2) 0.0398(6) Uani 1 1 d . . .
H55A H 0.6510 0.6205 0.5113 0.048 Uiso 1 1 calc R . .
H55B H 0.6800 0.5286 0.4458 0.048 Uiso 1 1 calc R . .
C56 C 0.8479(3) 0.6474(2) 0.5189(2) 0.0411(7) Uani 1 1 d . . .
H56A H 0.8683 0.6194 0.5665 0.049 Uiso 1 1 calc R . .
H56B H 0.8987 0.6246 0.4800 0.049 Uiso 1 1 calc R . .
C57 C 0.8887(3) 0.7645(3) 0.55391(19) 0.0404(6) Uani 1 1 d . . .
H57A H 0.8450 0.7873 0.5975 0.048 Uiso 1 1 calc R . .
H57B H 0.9844 0.7898 0.5818 0.048 Uiso 1 1 calc R . .
C58 C 0.8527(3) 0.8107(2) 0.4836(2) 0.0413(7) Uani 1 1 d . . .
H58A H 0.9032 0.7937 0.4431 0.050 Uiso 1 1 calc R . .
H58B H 0.8762 0.8868 0.5085 0.050 Uiso 1 1 calc R . .
C59 C 0.7056(3) 0.7691(2) 0.4357(2) 0.0363(6) Uani 1 1 d . . .
H59A H 0.6553 0.7919 0.4750 0.044 Uiso 1 1 calc R . .
H59B H 0.6855 0.7976 0.3884 0.044 Uiso 1 1 calc R . .
P1 P 0.96679(7) 0.71203(6) 0.20177(5) 0.03422(15) Uani 1 1 d . . .
F1 F 1.0227(2) 0.62695(16) 0.23354(14) 0.0564(5) Uani 1 1 d . . .
F2 F 1.0412(2) 0.69872(17) 0.13073(14) 0.0588(5) Uani 1 1 d . . .
F3 F 1.0911(2) 0.79972(17) 0.26777(15) 0.0628(6) Uani 1 1 d . . .
F4 F 0.8918(2) 0.72367(19) 0.27180(15) 0.0630(6) Uani 1 1 d . . .
F5 F 0.8432(2) 0.62332(17) 0.13507(14) 0.0589(5) Uani 1 1 d . . .
F6 F 0.9129(3) 0.79718(18) 0.16968(15) 0.0658(6) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P41 Au S1 169.04(2) . . ?
C2 S1 Au 107.71(8) . . ?
N3 C2 C4 114.1(2) . . ?
N3 C2 S1 133.8(2) . . ?
C4 C2 S1 112.08(17) . . ?
C2 N3 C27 121.6(2) . . ?
N8 C4 N5 108.3(2) . . ?
N8 C4 C2 125.0(2) . . ?
N5 C4 C2 126.7(2) . . ?
C4 N5 C6 108.2(2) . . ?
C4 N5 C9 125.3(2) . . ?
C6 N5 C9 126.6(2) . . ?
C7 C6 N5 107.7(2) . . ?
C6 C7 N8 106.9(2) . . ?
C4 N8 C7 108.9(2) . . ?
C4 N8 C18 124.0(2) . . ?
C7 N8 C18 127.1(2) . . ?
C14 C9 C10 122.7(3) . . ?
C14 C9 N5 119.1(2) . . ?
C10 C9 N5 118.2(2) . . ?
C11 C10 C9 117.3(3) . . ?
C11 C10 C15 121.2(3) . . ?
C9 C10 C15 121.6(3) . . ?
C12 C11 C10 122.1(3) . . ?
C13 C12 C11 118.7(3) . . ?
C13 C12 C16 120.5(3) . . ?
C11 C12 C16 120.7(3) . . ?
C12 C13 C14 121.6(3) . . ?
C9 C14 C13 117.5(2) . . ?
C9 C14 C17 122.5(3) . . ?
C13 C14 C17 119.9(3) . . ?
C19 C18 C23 123.1(3) . . ?
C19 C18 N8 117.9(2) . . ?
C23 C18 N8 118.8(2) . . ?
C20 C19 C18 117.6(3) . . ?
C20 C19 C24 121.6(3) . . ?
C18 C19 C24 120.8(3) . . ?
C19 C20 C21 121.9(3) . . ?
C20 C21 C22 118.3(3) . . ?
C20 C21 C25 120.2(3) . . ?
C22 C21 C25 121.5(3) . . ?
C21 C22 C23 122.5(3) . . ?
C22 C23 C18 116.5(2) . . ?
C22 C23 C26 121.7(3) . . ?
C18 C23 C26 121.8(3) . . ?
C32 C27 C28 120.0(3) . . ?
C32 C27 N3 119.8(2) . . ?
C28 C27 N3 119.8(2) . . ?
C27 C28 C29 119.5(3) . . ?
C30 C29 C28 120.6(3) . . ?
C31 C30 C29 119.6(3) . . ?
C30 C31 C32 120.2(3) . . ?
C27 C32 C31 120.0(3) . . ?
C48 P41 C54 108.14(12) . . ?
C48 P41 C42 108.21(12) . . ?
C54 P41 C42 106.48(12) . . ?
C48 P41 Au 115.44(9) . . ?
C54 P41 Au 108.66(8) . . ?
C42 P41 Au 109.54(8) . . ?
C47 C42 C43 109.3(2) . . ?
C47 C42 P41 113.11(18) . . ?
C43 C42 P41 115.52(18) . . ?
C44 C43 C42 109.8(2) . . ?
C45 C44 C43 111.7(2) . . ?
C44 C45 C46 111.2(2) . . ?
C45 C46 C47 111.8(2) . . ?
C46 C47 C42 110.1(2) . . ?
C53 C48 C49 110.3(2) . . ?
C53 C48 P41 111.79(19) . . ?
C49 C48 P41 110.03(19) . . ?
C50 C49 C48 111.1(3) . . ?
C51 C50 C49 111.9(3) . . ?
C50 C51 C52 110.3(3) . . ?
C53 C52 C51 111.4(3) . . ?
C52 C53 C48 111.4(2) . . ?
C59 C54 C55 110.8(2) . . ?
C59 C54 P41 114.93(18) . . ?
C55 C54 P41 110.54(17) . . ?
C56 C55 C54 111.1(2) . . ?
C57 C56 C55 111.5(3) . . ?
C58 C57 C56 111.1(2) . . ?
C57 C58 C59 111.0(2) . . ?
C54 C59 C58 110.9(2) . . ?
F3 P1 F4 90.18(13) . . ?
F3 P1 F5 179.32(15) . . ?
F4 P1 F5 90.38(13) . . ?
F3 P1 F6 89.76(13) . . ?
F4 P1 F6 91.22(13) . . ?
F5 P1 F6 90.63(13) . . ?
F3 P1 F2 90.48(13) . . ?
F4 P1 F2 179.24(14) . . ?
F5 P1 F2 88.96(12) . . ?
F6 P1 F2 89.17(13) . . ?
F3 P1 F1 89.85(12) . . ?
F4 P1 F1 89.51(13) . . ?
F5 P1 F1 89.76(12) . . ?
F6 P1 F1 179.17(14) . . ?
F2 P1 F1 90.10(12) . . ?
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
Au P41 2.2731(6) . ?
Au S1 2.3084(6) . ?
S1 C2 1.748(3) . ?
C2 N3 1.271(3) . ?
C2 C4 1.493(3) . ?
N3 C27 1.424(3) . ?
C4 N8 1.331(3) . ?
C4 N5 1.338(3) . ?
N5 C6 1.384(4) . ?
N5 C9 1.448(4) . ?
C6 C7 1.340(5) . ?
C7 N8 1.385(3) . ?
N8 C18 1.447(3) . ?
C9 C14 1.396(4) . ?
C9 C10 1.399(4) . ?
C10 C11 1.392(5) . ?
C10 C15 1.508(4) . ?
C11 C12 1.391(5) . ?
C12 C13 1.390(4) . ?
C12 C16 1.501(4) . ?
C13 C14 1.397(4) . ?
C14 C17 1.504(4) . ?
C18 C19 1.391(4) . ?
C18 C23 1.397(4) . ?
C19 C20 1.386(4) . ?
C19 C24 1.501(4) . ?
C20 C21 1.387(5) . ?
C21 C22 1.390(4) . ?
C21 C25 1.509(4) . ?
C22 C23 1.393(4) . ?
C23 C26 1.507(4) . ?
C27 C32 1.382(4) . ?
C27 C28 1.383(4) . ?
C28 C29 1.391(4) . ?
C29 C30 1.382(5) . ?
C30 C31 1.378(5) . ?
C31 C32 1.393(4) . ?
P41 C48 1.838(3) . ?
P41 C54 1.843(3) . ?
P41 C42 1.850(3) . ?
C42 C47 1.539(4) . ?
C42 C43 1.544(4) . ?
C43 C44 1.531(4) . ?
C44 C45 1.521(4) . ?
C45 C46 1.524(4) . ?
C46 C47 1.525(4) . ?
C48 C53 1.531(4) . ?
C48 C49 1.535(4) . ?
C49 C50 1.530(4) . ?
C50 C51 1.517(5) . ?
C51 C52 1.526(5) . ?
C52 C53 1.523(4) . ?
C54 C59 1.527(4) . ?
C54 C55 1.533(4) . ?
C55 C56 1.526(4) . ?
C56 C57 1.517(5) . ?
C57 C58 1.517(4) . ?
C58 C59 1.536(4) . ?
P1 F3 1.586(2) . ?
P1 F4 1.589(2) . ?
P1 F5 1.591(2) . ?
P1 F6 1.593(2) . ?
P1 F2 1.599(2) . ?
P1 F1 1.600(2) . ?
