##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2010-03-14
_journal_date_accepted     2010-03-15
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      4
_journal_page_first     m420
_journal_page_last     m420
_journal_paper_category     QM
_journal_coeditor_code     HG2659
_publ_contact_author_name     ' Edward RT Tiekink '
_publ_contact_author_address
;
Department of Chemistry, University of Malaya,
50603 Kuala Lumpur, Malaysia
;
_publ_contact_author_email
;
edward.tiekink@gmail.com
;
_publ_contact_author_fax     ' +60 3 7967 4193 '
_publ_contact_author_phone     ' +60 3 7967 6775 '
_publ_section_title
;\
[(Z)-O-Isopropyl
N-(4-chlorophenyl)thiocarbamato-κS](tricyclohexylphosphine-\
κP)gold(I)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Tadbuppa, Primjira P.' .
;
Department of Chemistry,
National University of Singapore, Singapore 117543
;
    'Tiekink, Edward R. T.' .
;
Department of Chemistry, University of Malaya,
50603 Kuala Lumpur, Malaysia
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
[(Z)-O-Isopropyl
N-(4-chlorophenyl)thiocarbamato-κS](tricyclohexylphosphine-
κP)gold(I)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C28 H44 Au Cl N O P S'
_chemical_formula_sum     'C28 H44 Au Cl N O P S'
_chemical_formula_iupac     '[Au (C10 H11 Cl N O S) (C18 H33 P)]'
_chemical_formula_weight     706.09
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     9.4547(15)
_cell_length_b     26.137(4)
_cell_length_c     12.326(2)
_cell_angle_alpha     90
_cell_angle_beta     100.162(3)
_cell_angle_gamma     90
_cell_volume     2998.0(8)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     879
_cell_measurement_theta_min     2.6
_cell_measurement_theta_max     27.4
_cell_measurement_temperature     223(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.32
_exptl_crystal_size_mid     0.07
_exptl_crystal_size_min     0.07
_exptl_crystal_density_diffrn     1.564
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1416
_exptl_absorpt_coefficient_mu     5.140
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Bruker, 2000)'
_exptl_absorpt_correction_T_min     0.466
_exptl_absorpt_correction_T_max     1.000
_exptl_special_details
;
;
_diffrn_ambient_temperature     223(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     20961
_diffrn_reflns_av_R_equivalents     0.037
_diffrn_reflns_av_sigmaI/netI     0.043
_diffrn_reflns_theta_min     1.9
_diffrn_reflns_theta_max     27.5
_diffrn_reflns_theta_full     27.5
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -33
_diffrn_reflns_limit_k_max     33
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     15
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
2σ(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors
based on F² are statistically about twice as large as those based on
F, and R- factors based on ALL data will be even larger.
;
_reflns_number_total     6886
_reflns_number_gt     5416
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.055
_refine_ls_R_factor_gt     0.039
_refine_ls_wR_factor_gt     0.082
_refine_ls_wR_factor_ref     0.087
_refine_ls_goodness_of_fit_ref     1.06
_refine_ls_restrained_S_all     1.06
_refine_ls_number_reflns     6886
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0354P)²+3.2652P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_max_lt     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     3.49
_refine_diff_density_min     -1.06
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'N' 'N' 0.0061 0.0033
                         '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'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2000)'
_computing_cell_refinement     'SAINT (Bruker, 2000)'
_computing_data_reduction     'SAINT (Bruker, 2000)'
_computing_structure_solution
                            'PATTY in DIRDIF92 (Beurskens et al.,  1992)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
                      'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material     'publCIF (Westrip, 2010)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Au Au 0.11172(2) 0.032224(6) 0.326336(15) 0.03900(7) Uani d . 1 . .
    Cl Cl1 -0.41157(16) 0.29686(6) 0.41611(13) 0.0629(4) Uani d . 1 . .
    S S1 0.04148(19) 0.11519(5) 0.35057(11) 0.0547(4) Uani d . 1 . .
    P P1 0.16119(15) -0.05231(5) 0.31795(10) 0.0361(3) Uani d . 1 . .
    O O1 0.1788(4) 0.12683(12) 0.1876(3) 0.0391(8) Uani d . 1 . .
    N N1 0.0218(5) 0.19166(14) 0.2031(3) 0.0398(9) Uani d . 1 . .
    C C1 0.0788(5) 0.14992(17) 0.2375(4) 0.0360(10) Uani d . 1 . .
    C C2 -0.0798(5) 0.21535(17) 0.2577(4) 0.0365(11) Uani d . 1 . .
    C C3 -0.0419(6) 0.23739(19) 0.3612(4) 0.0445(12) Uani d . 1 . .
    H H3 0.0537 0.2351 0.3982 0.053 Uiso calc R 1 . .
    C C4 -0.1416(6) 0.26265(19) 0.4109(4) 0.0431(12) Uani d . 1 . .
    H H4 -0.1149 0.2771 0.4813 0.052 Uiso calc R 1 . .
    C C5 -0.2805(5) 0.26620(17) 0.3554(4) 0.0396(11) Uani d . 1 . .
    C C6 -0.3205(6) 0.2456(2) 0.2522(4) 0.0478(13) Uani d . 1 . .
    H H6 -0.4157 0.2487 0.2147 0.057 Uiso calc R 1 . .
    C C7 -0.2198(6) 0.2204(2) 0.2044(4) 0.0468(12) Uani d . 1 . .
    H H7 -0.2470 0.2063 0.1336 0.056 Uiso calc R 1 . .
    C C8 0.2135(6) 0.1506(2) 0.0885(4) 0.0443(12) Uani d . 1 . .
    H H8 0.1240 0.1610 0.0390 0.053 Uiso calc R 1 . .
    C C9 0.3096(7) 0.1964(2) 0.1161(6) 0.0720(19) Uani d . 1 . .
    H H9A 0.2581 0.2229 0.1483 0.108 Uiso calc R 1 . .
    H H9B 0.3382 0.2093 0.0494 0.108 Uiso calc R 1 . .
    H H9C 0.3943 0.1865 0.1683 0.108 Uiso calc R 1 . .
    C C10 0.2859(7) 0.1079(2) 0.0358(5) 0.0570(15) Uani d . 1 . .
    H H10A 0.2191 0.0798 0.0177 0.085 Uiso calc R 1 . .
    H H10B 0.3696 0.0962 0.0869 0.085 Uiso calc R 1 . .
    H H10C 0.3153 0.1205 -0.0309 0.085 Uiso calc R 1 . .
    C C11 0.2157(5) -0.07089(17) 0.1873(4) 0.0357(10) Uani d . 1 . .
    H H11 0.2373 -0.1080 0.1898 0.043 Uiso calc R 1 . .
    C C12 0.3503(6) -0.0418(2) 0.1728(4) 0.0467(13) Uani d . 1 . .
    H H12A 0.4278 -0.0496 0.2346 0.056 Uiso calc R 1 . .
    H H12B 0.3313 -0.0049 0.1739 0.056 Uiso calc R 1 . .
    C C13 0.3983(7) -0.0558(2) 0.0650(5) 0.0594(16) Uani d . 1 . .
    H H13A 0.4813 -0.0347 0.0562 0.071 Uiso calc R 1 . .
    H H13B 0.4286 -0.0917 0.0678 0.071 Uiso calc R 1 . .
    C C14 0.2799(8) -0.0479(2) -0.0335(5) 0.0689(19) Uani d . 1 . .
    H H14A 0.3116 -0.0610 -0.0998 0.083 Uiso calc R 1 . .
    H H14B 0.2610 -0.0112 -0.0438 0.083 Uiso calc R 1 . .
    C C15 0.1423(7) -0.0750(2) -0.0190(5) 0.0618(16) Uani d . 1 . .
    H H15A 0.0655 -0.0660 -0.0804 0.074 Uiso calc R 1 . .
    H H15B 0.1569 -0.1121 -0.0206 0.074 Uiso calc R 1 . .
    C C16 0.0970(6) -0.0603(2) 0.0886(4) 0.0496(13) Uani d . 1 . .
    H H16A 0.0108 -0.0797 0.0970 0.059 Uiso calc R 1 . .
    H H16B 0.0725 -0.0239 0.0870 0.059 Uiso calc R 1 . .
    C C17 0.3117(6) -0.07052(19) 0.4301(4) 0.0465(12) Uani d . 1 . .
    H H17 0.3989 -0.0554 0.4090 0.056 Uiso calc R 1 . .
    C C18 0.2971(7) -0.0452(2) 0.5377(5) 0.0554(14) Uani d . 1 . .
    H H18A 0.2907 -0.0081 0.5271 0.066 Uiso calc R 1 . .
    H H18B 0.2080 -0.0568 0.5602 0.066 Uiso calc R 1 . .
    C C19 0.4528(8) -0.1131(3) 0.6415(7) 0.083(2) Uani d . 1 . .
    H H19A 0.5414 -0.1180 0.6953 0.100 Uiso calc R 1 . .
    H H19B 0.3744 -0.1298 0.6706 0.100 Uiso calc R 1 . .
    C C20 0.4219(8) -0.0573(3) 0.6277(5) 0.0724(19) Uani d . 1 . .
    H H20A 0.5077 -0.0400 0.6114 0.087 Uiso calc R 1 . .
    H H20B 0.4020 -0.0435 0.6974 0.087 Uiso calc R 1 . .
    C C21 0.4688(8) -0.1377(3) 0.5361(6) 0.079(2) Uani d . 1 . .
    H H21A 0.4788 -0.1747 0.5475 0.095 Uiso calc R 1 . .
    H H21B 0.5573 -0.1252 0.5141 0.095 Uiso calc R 1 . .
    C C22 0.3425(6) -0.1274(2) 0.4425(5) 0.0572(15) Uani d . 1 . .
    H H22A 0.3649 -0.1410 0.3733 0.069 Uiso calc R 1 . .
    H H22B 0.2569 -0.1452 0.4579 0.069 Uiso calc R 1 . .
    C C23 0.0073(6) -0.09140(18) 0.3403(5) 0.0458(12) Uani d . 1 . .
    H H23 0.0199 -0.0958 0.4212 0.055 Uiso calc R 1 . .
    C C24 -0.0029(6) -0.14566(19) 0.2938(5) 0.0493(13) Uani d . 1 . .
    H H24A -0.0203 -0.1442 0.2131 0.059 Uiso calc R 1 . .
    H H24B 0.0883 -0.1635 0.3182 0.059 Uiso calc R 1 . .
    C C25 -0.1236(7) -0.1750(2) 0.3320(6) 0.0714(19) Uani d . 1 . .
    H H25A -0.1305 -0.2090 0.2980 0.086 Uiso calc R 1 . .
    H H25B -0.0997 -0.1797 0.4120 0.086 Uiso calc R 1 . .
    C C26 -0.2653(7) -0.1494(2) 0.3048(6) 0.0650(17) Uani d . 1 . .
    H H26A -0.3351 -0.1680 0.3401 0.078 Uiso calc R 1 . .
    H H26B -0.2985 -0.1506 0.2249 0.078 Uiso calc R 1 . .
    C C27 -0.2580(6) -0.0941(2) 0.3430(5) 0.0571(15) Uani d . 1 . .
    H H27A -0.3490 -0.0772 0.3129 0.068 Uiso calc R 1 . .
    H H27B -0.2470 -0.0933 0.4236 0.068 Uiso calc R 1 . .
    C C28 -0.1359(6) -0.0642(2) 0.3087(5) 0.0548(14) Uani d . 1 . .
    H H28A -0.1299 -0.0304 0.3437 0.066 Uiso calc R 1 . .
    H H28B -0.1561 -0.0591 0.2287 0.066 Uiso calc R 1 . .
_geom_special_details
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are
estimated using the full covariance matrix. The cell s.u.'s are taken into
account individually in the estimation of s.u.'s in distances, angles and
torsion angles; correlations between s.u.'s in cell parameters are only used
when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Au P1 . 2.2646(12) y
    Au S1 . 2.3027(13) y
    Cl1 C5 . 1.751(5) ?
    S1 C1 . 1.750(5) ?
    P1 C23 . 1.838(5) ?
    P1 C11 . 1.840(4) ?
    P1 C17 . 1.862(5) ?
    O1 C1 . 1.356(5) ?
    O1 C8 . 1.459(5) ?
    N1 C1 . 1.257(6) ?
    N1 C2 . 1.410(6) ?
    C2 C7 . 1.376(7) ?
    C2 C3 . 1.388(7) ?
    C3 C4 . 1.380(7) ?
    C3 H3 . 0.9400 ?
    C4 C5 . 1.373(7) ?
    C4 H4 . 0.9400 ?
    C5 C6 . 1.371(7) ?
    C6 C7 . 1.374(7) ?
    C6 H6 . 0.9400 ?
    C7 H7 . 0.9400 ?
    C8 C9 . 1.505(8) ?
    C8 C10 . 1.514(7) ?
    C8 H8 . 0.9900 ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C9 H9C . 0.9700 ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C10 H10C . 0.9700 ?
    C11 C12 . 1.520(7) ?
    C11 C16 . 1.528(7) ?
    C11 H11 . 0.9900 ?
    C12 C13 . 1.524(7) ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C13 C14 . 1.513(9) ?
    C13 H13A . 0.9800 ?
    C13 H13B . 0.9800 ?
    C14 C15 . 1.519(9) ?
    C14 H14A . 0.9800 ?
    C14 H14B . 0.9800 ?
    C15 C16 . 1.514(7) ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C16 H16A . 0.9800 ?
    C16 H16B . 0.9800 ?
    C17 C18 . 1.511(8) ?
    C17 C22 . 1.518(7) ?
    C17 H17 . 0.9900 ?
    C18 C20 . 1.503(8) ?
    C18 H18A . 0.9800 ?
    C18 H18B . 0.9800 ?
    C19 C21 . 1.481(10) ?
    C19 C20 . 1.492(10) ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C20 H20A . 0.9800 ?
    C20 H20B . 0.9800 ?
    C21 C22 . 1.531(9) ?
    C21 H21A . 0.9800 ?
    C21 H21B . 0.9800 ?
    C22 H22A . 0.9800 ?
    C22 H22B . 0.9800 ?
    C23 C28 . 1.518(7) ?
    C23 C24 . 1.526(7) ?
    C23 H23 . 0.9900 ?
    C24 C25 . 1.516(7) ?
    C24 H24A . 0.9800 ?
    C24 H24B . 0.9800 ?
    C25 C26 . 1.481(9) ?
    C25 H25A . 0.9800 ?
    C25 H25B . 0.9800 ?
    C26 C27 . 1.519(8) ?
    C26 H26A . 0.9800 ?
    C26 H26B . 0.9800 ?
    C27 C28 . 1.514(7) ?
    C27 H27A . 0.9800 ?
    C27 H27B . 0.9800 ?
    C28 H28A . 0.9800 ?
    C28 H28B . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    P1 Au S1 . . 172.45(5) y
    C1 S1 Au . . 106.36(16) ?
    C23 P1 C11 . . 109.6(2) ?
    C23 P1 C17 . . 105.6(2) ?
    C11 P1 C17 . . 106.7(2) ?
    C23 P1 Au . . 111.10(16) ?
    C11 P1 Au . . 112.92(15) ?
    C17 P1 Au . . 110.63(17) ?
    C1 O1 C8 . . 117.9(4) ?
    C1 N1 C2 . . 120.5(4) ?
    N1 C1 O1 . . 121.7(4) ?
    N1 C1 S1 . . 125.7(4) ?
    O1 C1 S1 . . 112.6(3) ?
    C7 C2 C3 . . 118.0(4) ?
    C7 C2 N1 . . 119.6(4) ?
    C3 C2 N1 . . 122.2(5) ?
    C4 C3 C2 . . 121.4(5) ?
    C4 C3 H3 . . 119.3 ?
    C2 C3 H3 . . 119.3 ?
    C5 C4 C3 . . 118.7(5) ?
    C5 C4 H4 . . 120.7 ?
    C3 C4 H4 . . 120.7 ?
    C6 C5 C4 . . 121.3(5) ?
    C6 C5 Cl1 . . 118.4(4) ?
    C4 C5 Cl1 . . 120.4(4) ?
    C5 C6 C7 . . 119.2(5) ?
    C5 C6 H6 . . 120.4 ?
    C7 C6 H6 . . 120.4 ?
    C6 C7 C2 . . 121.5(5) ?
    C6 C7 H7 . . 119.3 ?
    C2 C7 H7 . . 119.3 ?
    O1 C8 C9 . . 111.5(5) ?
    O1 C8 C10 . . 103.3(4) ?
    C9 C8 C10 . . 112.5(5) ?
    O1 C8 H8 . . 109.8 ?
    C9 C8 H8 . . 109.8 ?
    C10 C8 H8 . . 109.8 ?
    C8 C9 H9A . . 109.5 ?
    C8 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    C8 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    C8 C10 H10A . . 109.5 ?
    C8 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    C8 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    C12 C11 C16 . . 109.2(4) ?
    C12 C11 P1 . . 109.9(3) ?
    C16 C11 P1 . . 111.7(3) ?
    C12 C11 H11 . . 108.7 ?
    C16 C11 H11 . . 108.7 ?
    P1 C11 H11 . . 108.7 ?
    C11 C12 C13 . . 111.5(4) ?
    C11 C12 H12A . . 109.3 ?
    C13 C12 H12A . . 109.3 ?
    C11 C12 H12B . . 109.3 ?
    C13 C12 H12B . . 109.3 ?
    H12A C12 H12B . . 108.0 ?
    C14 C13 C12 . . 112.0(5) ?
    C14 C13 H13A . . 109.2 ?
    C12 C13 H13A . . 109.2 ?
    C14 C13 H13B . . 109.2 ?
    C12 C13 H13B . . 109.2 ?
    H13A C13 H13B . . 107.9 ?
    C13 C14 C15 . . 111.8(5) ?
    C13 C14 H14A . . 109.3 ?
    C15 C14 H14A . . 109.3 ?
    C13 C14 H14B . . 109.3 ?
    C15 C14 H14B . . 109.3 ?
    H14A C14 H14B . . 107.9 ?
    C16 C15 C14 . . 111.5(5) ?
    C16 C15 H15A . . 109.3 ?
    C14 C15 H15A . . 109.3 ?
    C16 C15 H15B . . 109.3 ?
    C14 C15 H15B . . 109.3 ?
    H15A C15 H15B . . 108.0 ?
    C15 C16 C11 . . 111.7(5) ?
    C15 C16 H16A . . 109.3 ?
    C11 C16 H16A . . 109.3 ?
    C15 C16 H16B . . 109.3 ?
    C11 C16 H16B . . 109.3 ?
    H16A C16 H16B . . 107.9 ?
    C18 C17 C22 . . 112.7(5) ?
    C18 C17 P1 . . 111.3(4) ?
    C22 C17 P1 . . 115.7(4) ?
    C18 C17 H17 . . 105.4 ?
    C22 C17 H17 . . 105.4 ?
    P1 C17 H17 . . 105.4 ?
    C20 C18 C17 . . 112.0(5) ?
    C20 C18 H18A . . 109.2 ?
    C17 C18 H18A . . 109.2 ?
    C20 C18 H18B . . 109.2 ?
    C17 C18 H18B . . 109.2 ?
    H18A C18 H18B . . 107.9 ?
    C21 C19 C20 . . 111.8(6) ?
    C21 C19 H19A . . 109.3 ?
    C20 C19 H19A . . 109.3 ?
    C21 C19 H19B . . 109.3 ?
    C20 C19 H19B . . 109.3 ?
    H19A C19 H19B . . 107.9 ?
    C19 C20 C18 . . 113.7(6) ?
    C19 C20 H20A . . 108.8 ?
    C18 C20 H20A . . 108.8 ?
    C19 C20 H20B . . 108.8 ?
    C18 C20 H20B . . 108.8 ?
    H20A C20 H20B . . 107.7 ?
    C19 C21 C22 . . 113.5(6) ?
    C19 C21 H21A . . 108.9 ?
    C22 C21 H21A . . 108.9 ?
    C19 C21 H21B . . 108.9 ?
    C22 C21 H21B . . 108.9 ?
    H21A C21 H21B . . 107.7 ?
    C17 C22 C21 . . 111.0(5) ?
    C17 C22 H22A . . 109.4 ?
    C21 C22 H22A . . 109.4 ?
    C17 C22 H22B . . 109.4 ?
    C21 C22 H22B . . 109.4 ?
    H22A C22 H22B . . 108.0 ?
    C28 C23 C24 . . 110.1(5) ?
    C28 C23 P1 . . 113.3(4) ?
    C24 C23 P1 . . 117.3(4) ?
    C28 C23 H23 . . 104.9 ?
    C24 C23 H23 . . 104.9 ?
    P1 C23 H23 . . 104.9 ?
    C25 C24 C23 . . 110.8(4) ?
    C25 C24 H24A . . 109.5 ?
    C23 C24 H24A . . 109.5 ?
    C25 C24 H24B . . 109.5 ?
    C23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 108.1 ?
    C26 C25 C24 . . 113.7(5) ?
    C26 C25 H25A . . 108.8 ?
    C24 C25 H25A . . 108.8 ?
    C26 C25 H25B . . 108.8 ?
    C24 C25 H25B . . 108.8 ?
    H25A C25 H25B . . 107.7 ?
    C25 C26 C27 . . 111.7(5) ?
    C25 C26 H26A . . 109.3 ?
    C27 C26 H26A . . 109.3 ?
    C25 C26 H26B . . 109.3 ?
    C27 C26 H26B . . 109.3 ?
    H26A C26 H26B . . 107.9 ?
    C28 C27 C26 . . 113.6(5) ?
    C28 C27 H27A . . 108.9 ?
    C26 C27 H27A . . 108.9 ?
    C28 C27 H27B . . 108.9 ?
    C26 C27 H27B . . 108.9 ?
    H27A C27 H27B . . 107.7 ?
    C27 C28 C23 . . 112.1(5) ?
    C27 C28 H28A . . 109.2 ?
    C23 C28 H28A . . 109.2 ?
    C27 C28 H28B . . 109.2 ?
    C23 C28 H28B . . 109.2 ?
    H28A C28 H28B . . 107.9 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    P1 Au S1 C1 . . . . -159.3(4) ?
    S1 Au P1 C23 . . . . 29.2(5) ?
    S1 Au P1 C11 . . . . 152.8(4) ?
    S1 Au P1 C17 . . . . -87.8(5) ?
    C2 N1 C1 O1 . . . . -178.8(4) ?
    C2 N1 C1 S1 . . . . 1.4(7) ?
    C8 O1 C1 N1 . . . . -3.1(7) ?
    C8 O1 C1 S1 . . . . 176.7(3) ?
    Au S1 C1 N1 . . . . 158.6(4) ?
    Au S1 C1 O1 . . . . -21.1(4) ?
    C1 N1 C2 C7 . . . . -114.7(6) ?
    C1 N1 C2 C3 . . . . 70.2(6) ?
    C7 C2 C3 C4 . . . . 1.5(7) ?
    N1 C2 C3 C4 . . . . 176.7(4) ?
    C2 C3 C4 C5 . . . . -0.7(8) ?
    C3 C4 C5 C6 . . . . -0.6(8) ?
    C3 C4 C5 Cl1 . . . . 178.8(4) ?
    C4 C5 C6 C7 . . . . 0.9(8) ?
    Cl1 C5 C6 C7 . . . . -178.6(4) ?
    C5 C6 C7 C2 . . . . 0.1(8) ?
    C3 C2 C7 C6 . . . . -1.2(7) ?
    N1 C2 C7 C6 . . . . -176.5(5) ?
    C1 O1 C8 C9 . . . . 76.9(6) ?
    C1 O1 C8 C10 . . . . -162.0(4) ?
    C23 P1 C11 C12 . . . . -175.4(3) ?
    C17 P1 C11 C12 . . . . -61.6(4) ?
    Au P1 C11 C12 . . . . 60.1(4) ?
    C23 P1 C11 C16 . . . . 63.3(4) ?
    C17 P1 C11 C16 . . . . 177.1(4) ?
    Au P1 C11 C16 . . . . -61.2(4) ?
    C16 C11 C12 C13 . . . . -56.7(6) ?
    P1 C11 C12 C13 . . . . -179.5(4) ?
    C11 C12 C13 C14 . . . . 55.2(6) ?
    C12 C13 C14 C15 . . . . -52.6(7) ?
    C13 C14 C15 C16 . . . . 53.0(7) ?
    C14 C15 C16 C11 . . . . -56.1(7) ?
    C12 C11 C16 C15 . . . . 57.6(6) ?
    P1 C11 C16 C15 . . . . 179.3(4) ?
    C23 P1 C17 C18 . . . . -78.2(4) ?
    C11 P1 C17 C18 . . . . 165.2(4) ?
    Au P1 C17 C18 . . . . 42.1(4) ?
    C23 P1 C17 C22 . . . . 52.1(5) ?
    C11 P1 C17 C22 . . . . -64.4(5) ?
    Au P1 C17 C22 . . . . 172.4(4) ?
    C22 C17 C18 C20 . . . . 51.2(7) ?
    P1 C17 C18 C20 . . . . -177.0(4) ?
    C21 C19 C20 C18 . . . . 52.5(9) ?
    C17 C18 C20 C19 . . . . -51.8(8) ?
    C20 C19 C21 C22 . . . . -52.7(8) ?
    C18 C17 C22 C21 . . . . -50.9(7) ?
    P1 C17 C22 C21 . . . . 179.4(4) ?
    C19 C21 C22 C17 . . . . 52.1(8) ?
    C11 P1 C23 C28 . . . . -99.4(4) ?
    C17 P1 C23 C28 . . . . 146.1(4) ?
    Au P1 C23 C28 . . . . 26.1(5) ?
    C11 P1 C23 C24 . . . . 30.7(5) ?
    C17 P1 C23 C24 . . . . -83.8(5) ?
    Au P1 C23 C24 . . . . 156.2(4) ?
    C28 C23 C24 C25 . . . . -56.0(7) ?
    P1 C23 C24 C25 . . . . 172.5(4) ?
    C23 C24 C25 C26 . . . . 55.8(8) ?
    C24 C25 C26 C27 . . . . -51.6(8) ?
    C25 C26 C27 C28 . . . . 49.3(8) ?
    C26 C27 C28 C23 . . . . -51.7(7) ?
    C24 C23 C28 C27 . . . . 54.6(6) ?
    P1 C23 C28 C27 . . . . -171.8(4) ?
