##############################################################################
###                                                                        ###
###        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     2009-10-17
_journal_date_accepted     2009-10-17
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue     11
_journal_page_first     m1415
_journal_page_last     m1415
_journal_paper_category     QM
_journal_coeditor_code     HB5149
_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     ' 1 210 458 7428 '
_publ_contact_author_phone     ' 1 210 458 5774 '
_publ_section_title
;
[(Z)-Isopropoxy(4-nitrophenylimino)methanethiolato-\
κS](tricyclohexylphosphine-κP)gold(I)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Ho, Soo Yei' .
;
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
_chemical_name_systematic
;
[(Z)-Isopropoxy(4-nitrophenylimino)methanethiolato-
κS](tricyclohexylphosphine-κP)gold(I)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C28 H44 Au N2 O3 P S'
_chemical_formula_sum     'C28 H44 Au N2 O3 P S'
_chemical_formula_iupac     '[Au (C10 H11 N2 O3 S) (C18 H33 P)]'
_chemical_formula_weight     716.65
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.0965(3)
_cell_length_b     13.1025(4)
_cell_length_c     13.2541(5)
_cell_angle_alpha     80.0300(10)
_cell_angle_beta     75.170(2)
_cell_angle_gamma     89.2150(10)
_cell_volume     1503.26(9)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     5138
_cell_measurement_theta_min     2.3
_cell_measurement_theta_max     29.6
_cell_measurement_temperature     223(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     'yellow'
_exptl_crystal_size_max     0.36
_exptl_crystal_size_mid     0.26
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     1.583
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     720
_exptl_absorpt_coefficient_mu     5.046
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Bruker, 2000)'
_exptl_absorpt_correction_T_min     0.508
_exptl_absorpt_correction_T_max     1
_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     10654
_diffrn_reflns_av_R_equivalents     0.030
_diffrn_reflns_av_sigmaI/netI     0.059
_diffrn_reflns_theta_min     1.6
_diffrn_reflns_theta_max     27.5
_diffrn_reflns_theta_full     27.5
_diffrn_measured_fraction_theta_max     0.994
_diffrn_measured_fraction_theta_full     0.994
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     17
_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     6851
_reflns_number_gt     6092
_reflns_threshold_expression     'I>2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.036
_refine_ls_R_factor_gt     0.031
_refine_ls_wR_factor_gt     0.070
_refine_ls_wR_factor_ref     0.072
_refine_ls_goodness_of_fit_ref     1.00
_refine_ls_restrained_S_all     1.00
_refine_ls_number_reflns     6851
_refine_ls_number_parameters     325
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0212P)²] 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     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.33
_refine_diff_density_min     -1.04
_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'
_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     'SHELXL97 (Sheldrick, 2008)'
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 0.773135(15) 0.951953(10) 0.686272(11) 0.02645(6) Uani d . 1 . .
    S S1 0.67339(12) 0.78988(7) 0.68902(8) 0.0338(2) Uani d . 1 . .
    P P1 0.86330(10) 1.11387(7) 0.68006(7) 0.02323(18) Uani d . 1 . .
    O O1 0.8219(3) 0.7604(2) 0.8343(2) 0.0354(6) Uani d . 1 . .
    O O2 0.3463(5) 0.3639(3) 0.5924(3) 0.0756(12) Uani d . 1 . .
    O O3 0.1780(5) 0.3537(3) 0.7411(3) 0.0799(13) Uani d . 1 . .
    N N1 0.6794(4) 0.6193(2) 0.8345(3) 0.0347(7) Uani d . 1 . .
    N N2 0.3021(5) 0.3830(3) 0.6818(3) 0.0503(10) Uani d . 1 . .
    C C1 0.7256(4) 0.7124(3) 0.7938(3) 0.0290(8) Uani d . 1 . .
    C C2 0.5837(4) 0.5653(3) 0.7926(3) 0.0282(8) Uani d . 1 . .
    C C3 0.6297(5) 0.5421(3) 0.6909(3) 0.0366(9) Uani d . 1 . .
    H H3 0.7237 0.5686 0.6460 0.044 Uiso calc R 1 . .
    C C4 0.5395(5) 0.4810(3) 0.6555(3) 0.0383(9) Uani d . 1 . .
    H H4 0.5723 0.4643 0.5872 0.046 Uiso calc R 1 . .
    C C5 0.4013(5) 0.4446(3) 0.7205(3) 0.0333(8) Uani d . 1 . .
    C C6 0.3506(5) 0.4670(3) 0.8218(3) 0.0363(9) Uani d . 1 . .
    H H6 0.2548 0.4421 0.8654 0.044 Uiso calc R 1 . .
    C C7 0.4444(5) 0.5269(3) 0.8573(3) 0.0344(9) Uani d . 1 . .
    H H7 0.4128 0.5417 0.9264 0.041 Uiso calc R 1 . .
    C C8 0.8622(5) 0.7039(4) 0.9279(3) 0.0417(10) Uani d . 1 . .
    H H8 0.7722 0.6629 0.9748 0.050 Uiso calc R 1 . .
    C C9 0.9881(7) 0.6324(5) 0.8957(5) 0.0675(15) Uani d . 1 . .
    H H9A 0.9539 0.5815 0.8608 0.101 Uiso calc R 1 . .
    H H9B 1.0172 0.5973 0.9580 0.101 Uiso calc R 1 . .
    H H9C 1.0749 0.6719 0.8472 0.101 Uiso calc R 1 . .
    C C10 0.9037(6) 0.7859(4) 0.9832(4) 0.0558(13) Uani d . 1 . .
    H H10A 0.8175 0.8297 1.0017 0.084 Uiso calc R 1 . .
    H H10B 0.9895 0.8278 0.9365 0.084 Uiso calc R 1 . .
    H H10C 0.9308 0.7532 1.0471 0.084 Uiso calc R 1 . .
    C C11 0.8713(4) 1.1952(3) 0.5512(3) 0.0278(8) Uani d . 1 . .
    H H11 0.9457 1.1634 0.4979 0.033 Uiso calc R 1 . .
    C C12 0.9286(5) 1.3074(3) 0.5386(3) 0.0376(9) Uani d . 1 . .
    H H12A 0.8585 1.3429 0.5897 0.045 Uiso calc R 1 . .
    H H12B 1.0288 1.3077 0.5534 0.045 Uiso calc R 1 . .
    C C13 0.9401(5) 1.3650(3) 0.4259(3) 0.0462(11) Uani d . 1 . .
    H H13A 0.9708 1.4376 0.4205 0.055 Uiso calc R 1 . .
    H H13B 1.0188 1.3340 0.3758 0.055 Uiso calc R 1 . .
    C C14 0.7909(6) 1.3610(4) 0.3959(3) 0.0499(12) Uani d . 1 . .
    H H14A 0.8048 1.3945 0.3219 0.060 Uiso calc R 1 . .
    H H14B 0.7149 1.3991 0.4405 0.060 Uiso calc R 1 . .
    C C15 0.7342(6) 1.2499(4) 0.4098(4) 0.0522(12) Uani d . 1 . .
    H H15A 0.8050 1.2140 0.3596 0.063 Uiso calc R 1 . .
    H H15B 0.6349 1.2496 0.3937 0.063 Uiso calc R 1 . .
    C C16 0.7194(5) 1.1922(4) 0.5219(3) 0.0421(10) Uani d . 1 . .
    H H16A 0.6871 1.1200 0.5273 0.050 Uiso calc R 1 . .
    H H16B 0.6416 1.2240 0.5718 0.050 Uiso calc R 1 . .
    C C17 1.0588(4) 1.1123(3) 0.6950(3) 0.0273(7) Uani d . 1 . .
    H H17 1.0901 1.1835 0.6983 0.033 Uiso calc R 1 . .
    C C18 1.0682(5) 1.0405(4) 0.7969(4) 0.0432(10) Uani d . 1 . .
    H H18A 1.0012 1.0648 0.8580 0.052 Uiso calc R 1 . .
    H H18B 1.0335 0.9703 0.7959 0.052 Uiso calc R 1 . .
    C C19 1.2311(5) 1.0382(4) 0.8079(4) 0.0628(17) Uani d . 1 . .
    H H19A 1.2633 1.1075 0.8138 0.075 Uiso calc R 1 . .
    H H19B 1.2355 0.9905 0.8727 0.075 Uiso calc R 1 . .
    C C20 1.3384(6) 1.0032(5) 0.7126(5) 0.077(2) Uani d . 1 . .
    H H20A 1.4430 1.0053 0.7195 0.092 Uiso calc R 1 . .
    H H20B 1.3119 0.9315 0.7105 0.092 Uiso calc R 1 . .
    C C21 1.3287(5) 1.0722(5) 0.6107(5) 0.0682(18) Uani d . 1 . .
    H H21A 1.3943 1.0458 0.5504 0.082 Uiso calc R 1 . .
    H H21B 1.3660 1.1423 0.6096 0.082 Uiso calc R 1 . .
    C C22 1.1665(4) 1.0770(4) 0.5990(4) 0.0429(10) Uani d . 1 . .
    H H22A 1.1327 1.0083 0.5923 0.052 Uiso calc R 1 . .
    H H22B 1.1635 1.1255 0.5344 0.052 Uiso calc R 1 . .
    C C23 0.7423(4) 1.1798(3) 0.7827(3) 0.0289(8) Uani d . 1 . .
    H H23 0.6684 1.2184 0.7485 0.035 Uiso calc R 1 . .
    C C24 0.6475(5) 1.1041(4) 0.8751(4) 0.0501(12) Uani d . 1 . .
    H H24A 0.7151 1.0603 0.9096 0.060 Uiso calc R 1 . .
    H H24B 0.5865 1.0590 0.8486 0.060 Uiso calc R 1 . .
    C C25 0.5415(6) 1.1597(4) 0.9567(4) 0.0581(14) Uani d . 1 . .
    H H25A 0.4642 1.1954 0.9252 0.070 Uiso calc R 1 . .
    H H25B 0.4892 1.1083 1.0180 0.070 Uiso calc R 1 . .
    C C26 0.6273(7) 1.2368(4) 0.9930(4) 0.0589(14) Uani d . 1 . .
    H H26A 0.6969 1.2004 1.0313 0.071 Uiso calc R 1 . .
    H H26B 0.5555 1.2736 1.0418 0.071 Uiso calc R 1 . .
    C C27 0.7166(5) 1.3140(3) 0.9004(4) 0.0456(11) Uani d . 1 . .
    H H27A 0.7749 1.3614 0.9262 0.055 Uiso calc R 1 . .
    H H27B 0.6459 1.3551 0.8665 0.055 Uiso calc R 1 . .
    C C28 0.8249(4) 1.2610(3) 0.8189(3) 0.0333(8) Uani d . 1 . .
    H H28A 0.8742 1.3132 0.7575 0.040 Uiso calc R 1 . .
    H H28B 0.9044 1.2280 0.8499 0.040 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 . 2.2655(9) y
    Au S1 . 2.3116(9) y
    S1 C1 . 1.739(4) ?
    P1 C11 . 1.835(4) ?
    P1 C17 . 1.839(3) ?
    P1 C23 . 1.850(4) ?
    O1 C1 . 1.350(4) ?
    O1 C8 . 1.459(5) ?
    O2 N2 . 1.219(5) ?
    O3 N2 . 1.222(5) ?
    N1 C1 . 1.275(5) ?
    N1 C2 . 1.403(5) ?
    N2 C5 . 1.459(5) ?
    C2 C7 . 1.380(5) ?
    C2 C3 . 1.390(5) ?
    C3 C4 . 1.371(5) ?
    C3 H3 . 0.9400 ?
    C4 C5 . 1.368(6) ?
    C4 H4 . 0.9400 ?
    C5 C6 . 1.384(6) ?
    C6 C7 . 1.386(5) ?
    C6 H6 . 0.9400 ?
    C7 H7 . 0.9400 ?
    C8 C9 . 1.493(7) ?
    C8 C10 . 1.504(6) ?
    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 C16 . 1.531(5) ?
    C11 C12 . 1.534(5) ?
    C11 H11 . 0.9900 ?
    C12 C13 . 1.531(6) ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C13 C14 . 1.513(6) ?
    C13 H13A . 0.9800 ?
    C13 H13B . 0.9800 ?
    C14 C15 . 1.516(7) ?
    C14 H14A . 0.9800 ?
    C14 H14B . 0.9800 ?
    C15 C16 . 1.520(6) ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C16 H16A . 0.9800 ?
    C16 H16B . 0.9800 ?
    C17 C18 . 1.527(6) ?
    C17 C22 . 1.532(5) ?
    C17 H17 . 0.9900 ?
    C18 C19 . 1.525(6) ?
    C18 H18A . 0.9800 ?
    C18 H18B . 0.9800 ?
    C19 C20 . 1.522(7) ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C20 C21 . 1.512(9) ?
    C20 H20A . 0.9800 ?
    C20 H20B . 0.9800 ?
    C21 C22 . 1.522(6) ?
    C21 H21A . 0.9800 ?
    C21 H21B . 0.9800 ?
    C22 H22A . 0.9800 ?
    C22 H22B . 0.9800 ?
    C23 C24 . 1.513(6) ?
    C23 C28 . 1.521(5) ?
    C23 H23 . 0.9900 ?
    C24 C25 . 1.533(6) ?
    C24 H24A . 0.9800 ?
    C24 H24B . 0.9800 ?
    C25 C26 . 1.497(7) ?
    C25 H25A . 0.9800 ?
    C25 H25B . 0.9800 ?
    C26 C27 . 1.506(7) ?
    C26 H26A . 0.9800 ?
    C26 H26B . 0.9800 ?
    C27 C28 . 1.521(5) ?
    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 . . 177.54(3) y
    C1 S1 Au . . 103.52(12) ?
    C11 P1 C17 . . 106.11(17) ?
    C11 P1 C23 . . 107.07(17) ?
    C17 P1 C23 . . 108.78(16) ?
    C11 P1 Au . . 110.76(12) ?
    C17 P1 Au . . 111.51(12) ?
    C23 P1 Au . . 112.32(12) ?
    C1 O1 C8 . . 117.5(3) ?
    C1 N1 C2 . . 121.7(3) ?
    O2 N2 O3 . . 123.4(4) ?
    O2 N2 C5 . . 118.7(4) ?
    O3 N2 C5 . . 117.9(4) ?
    N1 C1 O1 . . 119.8(3) ?
    N1 C1 S1 . . 126.3(3) ?
    O1 C1 S1 . . 113.8(3) ?
    C7 C2 C3 . . 119.0(3) ?
    C7 C2 N1 . . 118.7(3) ?
    C3 C2 N1 . . 122.0(4) ?
    C4 C3 C2 . . 120.8(4) ?
    C4 C3 H3 . . 119.6 ?
    C2 C3 H3 . . 119.6 ?
    C5 C4 C3 . . 119.3(4) ?
    C5 C4 H4 . . 120.4 ?
    C3 C4 H4 . . 120.4 ?
    C4 C5 C6 . . 121.7(4) ?
    C4 C5 N2 . . 119.6(4) ?
    C6 C5 N2 . . 118.7(4) ?
    C5 C6 C7 . . 118.4(4) ?
    C5 C6 H6 . . 120.8 ?
    C7 C6 H6 . . 120.8 ?
    C2 C7 C6 . . 120.8(4) ?
    C2 C7 H7 . . 119.6 ?
    C6 C7 H7 . . 119.6 ?
    O1 C8 C9 . . 110.0(4) ?
    O1 C8 C10 . . 105.3(4) ?
    C9 C8 C10 . . 113.7(4) ?
    O1 C8 H8 . . 109.3 ?
    C9 C8 H8 . . 109.3 ?
    C10 C8 H8 . . 109.3 ?
    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 ?
    C16 C11 C12 . . 110.8(3) ?
    C16 C11 P1 . . 111.6(3) ?
    C12 C11 P1 . . 115.3(3) ?
    C16 C11 H11 . . 106.1 ?
    C12 C11 H11 . . 106.1 ?
    P1 C11 H11 . . 106.1 ?
    C13 C12 C11 . . 110.3(3) ?
    C13 C12 H12A . . 109.6 ?
    C11 C12 H12A . . 109.6 ?
    C13 C12 H12B . . 109.6 ?
    C11 C12 H12B . . 109.6 ?
    H12A C12 H12B . . 108.1 ?
    C14 C13 C12 . . 112.0(4) ?
    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 . . 110.9(4) ?
    C13 C14 H14A . . 109.5 ?
    C15 C14 H14A . . 109.5 ?
    C13 C14 H14B . . 109.5 ?
    C15 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 108.0 ?
    C14 C15 C16 . . 111.7(4) ?
    C14 C15 H15A . . 109.3 ?
    C16 C15 H15A . . 109.3 ?
    C14 C15 H15B . . 109.3 ?
    C16 C15 H15B . . 109.3 ?
    H15A C15 H15B . . 107.9 ?
    C15 C16 C11 . . 110.6(4) ?
    C15 C16 H16A . . 109.5 ?
    C11 C16 H16A . . 109.5 ?
    C15 C16 H16B . . 109.5 ?
    C11 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 108.1 ?
    C18 C17 C22 . . 110.1(3) ?
    C18 C17 P1 . . 110.8(3) ?
    C22 C17 P1 . . 109.6(2) ?
    C18 C17 H17 . . 108.8 ?
    C22 C17 H17 . . 108.8 ?
    P1 C17 H17 . . 108.8 ?
    C19 C18 C17 . . 110.6(4) ?
    C19 C18 H18A . . 109.5 ?
    C17 C18 H18A . . 109.5 ?
    C19 C18 H18B . . 109.5 ?
    C17 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 108.1 ?
    C20 C19 C18 . . 110.7(4) ?
    C20 C19 H19A . . 109.5 ?
    C18 C19 H19A . . 109.5 ?
    C20 C19 H19B . . 109.5 ?
    C18 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 108.1 ?
    C21 C20 C19 . . 110.8(4) ?
    C21 C20 H20A . . 109.5 ?
    C19 C20 H20A . . 109.5 ?
    C21 C20 H20B . . 109.5 ?
    C19 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 108.1 ?
    C20 C21 C22 . . 111.7(5) ?
    C20 C21 H21A . . 109.3 ?
    C22 C21 H21A . . 109.3 ?
    C20 C21 H21B . . 109.3 ?
    C22 C21 H21B . . 109.3 ?
    H21A C21 H21B . . 107.9 ?
    C21 C22 C17 . . 110.8(3) ?
    C21 C22 H22A . . 109.5 ?
    C17 C22 H22A . . 109.5 ?
    C21 C22 H22B . . 109.5 ?
    C17 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 108.1 ?
    C24 C23 C28 . . 112.1(3) ?
    C24 C23 P1 . . 112.4(3) ?
    C28 C23 P1 . . 115.0(3) ?
    C24 C23 H23 . . 105.4 ?
    C28 C23 H23 . . 105.4 ?
    P1 C23 H23 . . 105.4 ?
    C23 C24 C25 . . 111.9(4) ?
    C23 C24 H24A . . 109.2 ?
    C25 C24 H24A . . 109.2 ?
    C23 C24 H24B . . 109.2 ?
    C25 C24 H24B . . 109.2 ?
    H24A C24 H24B . . 107.9 ?
    C26 C25 C24 . . 111.6(4) ?
    C26 C25 H25A . . 109.3 ?
    C24 C25 H25A . . 109.3 ?
    C26 C25 H25B . . 109.3 ?
    C24 C25 H25B . . 109.3 ?
    H25A C25 H25B . . 108.0 ?
    C25 C26 C27 . . 111.1(4) ?
    C25 C26 H26A . . 109.4 ?
    C27 C26 H26A . . 109.4 ?
    C25 C26 H26B . . 109.4 ?
    C27 C26 H26B . . 109.4 ?
    H26A C26 H26B . . 108.0 ?
    C26 C27 C28 . . 111.9(4) ?
    C26 C27 H27A . . 109.2 ?
    C28 C27 H27A . . 109.2 ?
    C26 C27 H27B . . 109.2 ?
    C28 C27 H27B . . 109.2 ?
    H27A C27 H27B . . 107.9 ?
    C23 C28 C27 . . 111.6(3) ?
    C23 C28 H28A . . 109.3 ?
    C27 C28 H28A . . 109.3 ?
    C23 C28 H28B . . 109.3 ?
    C27 C28 H28B . . 109.3 ?
    H28A C28 H28B . . 108.0 ?
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
    C2 N1 C1 O1 . . . . -177.7(3) ?
    C2 N1 C1 S1 . . . . 4.0(6) ?
    C8 O1 C1 N1 . . . . -3.2(6) ?
    C8 O1 C1 S1 . . . . 175.2(3) ?
    Au S1 C1 N1 . . . . 170.3(3) ?
    Au S1 C1 O1 . . . . -8.0(3) ?
    C1 N1 C2 C7 . . . . -121.8(4) ?
    C1 N1 C2 C3 . . . . 63.4(5) ?
    C7 C2 C3 C4 . . . . -0.8(6) ?
    N1 C2 C3 C4 . . . . 173.9(4) ?
    C2 C3 C4 C5 . . . . 1.4(6) ?
    C3 C4 C5 C6 . . . . -0.6(6) ?
    C3 C4 C5 N2 . . . . 177.6(4) ?
    O2 N2 C5 C4 . . . . 1.2(6) ?
    O3 N2 C5 C4 . . . . -178.3(4) ?
    O2 N2 C5 C6 . . . . 179.4(4) ?
    O3 N2 C5 C6 . . . . -0.1(6) ?
    C4 C5 C6 C7 . . . . -0.8(6) ?
    N2 C5 C6 C7 . . . . -179.0(4) ?
    C3 C2 C7 C6 . . . . -0.6(6) ?
    N1 C2 C7 C6 . . . . -175.5(4) ?
    C5 C6 C7 C2 . . . . 1.4(6) ?
    C1 O1 C8 C9 . . . . 82.9(5) ?
    C1 O1 C8 C10 . . . . -154.3(4) ?
    C17 P1 C11 C16 . . . . 172.7(3) ?
    C23 P1 C11 C16 . . . . -71.2(3) ?
    Au P1 C11 C16 . . . . 51.6(3) ?
    C17 P1 C11 C12 . . . . -59.7(3) ?
    C23 P1 C11 C12 . . . . 56.4(3) ?
    Au P1 C11 C12 . . . . 179.1(3) ?
    C16 C11 C12 C13 . . . . -55.8(5) ?
    P1 C11 C12 C13 . . . . 176.3(3) ?
    C11 C12 C13 C14 . . . . 55.5(5) ?
    C12 C13 C14 C15 . . . . -55.3(5) ?
    C13 C14 C15 C16 . . . . 55.8(5) ?
    C14 C15 C16 C11 . . . . -56.6(5) ?
    C12 C11 C16 C15 . . . . 56.6(5) ?
    P1 C11 C16 C15 . . . . -173.5(3) ?
    C11 P1 C17 C18 . . . . -176.2(3) ?
    C23 P1 C17 C18 . . . . 68.9(3) ?
    Au P1 C17 C18 . . . . -55.5(3) ?
    C11 P1 C17 C22 . . . . -54.5(3) ?
    C23 P1 C17 C22 . . . . -169.4(3) ?
    Au P1 C17 C22 . . . . 66.2(3) ?
    C22 C17 C18 C19 . . . . 57.6(4) ?
    P1 C17 C18 C19 . . . . 179.0(3) ?
    C17 C18 C19 C20 . . . . -57.8(6) ?
    C18 C19 C20 C21 . . . . 56.5(6) ?
    C19 C20 C21 C22 . . . . -55.8(6) ?
    C20 C21 C22 C17 . . . . 55.8(6) ?
    C18 C17 C22 C21 . . . . -56.3(5) ?
    P1 C17 C22 C21 . . . . -178.5(4) ?
    C11 P1 C23 C24 . . . . 144.4(3) ?
    C17 P1 C23 C24 . . . . -101.3(3) ?
    Au P1 C23 C24 . . . . 22.6(3) ?
    C11 P1 C23 C28 . . . . -85.7(3) ?
    C17 P1 C23 C28 . . . . 28.6(3) ?
    Au P1 C23 C28 . . . . 152.5(3) ?
    C28 C23 C24 C25 . . . . 51.7(6) ?
    P1 C23 C24 C25 . . . . -176.9(4) ?
    C23 C24 C25 C26 . . . . -53.9(6) ?
    C24 C25 C26 C27 . . . . 55.9(6) ?
    C25 C26 C27 C28 . . . . -56.4(6) ?
    C24 C23 C28 C27 . . . . -51.9(5) ?
    P1 C23 C28 C27 . . . . 178.1(3) ?
    C26 C27 C28 C23 . . . . 54.2(5) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C17 H17 O3 1_665 0.99 2.58 3.558(6) 169 y
    C27 H27b Cg1 1_565 0.98 2.81 3.778(5) 168 y
