#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/44/2224450.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2224450
loop_
_publ_author_name
'Tadbuppa, Primjira P.'
'Tiekink, Edward R. T.'
_publ_section_title
'[(Z)-O-Ethyl-N-(o-tolyl)thiocarbamato-κS](triphenylphosphine-κP)gold(I)'
_journal_coeditor_code           SJ2686
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1612
_journal_paper_doi               10.1107/S1600536809048466
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Au (C10 H12 N O S) (C18 H15 P)]'
_chemical_formula_moiety         'C28 H27 Au N O P S'
_chemical_formula_sum            'C28 H27 Au N O P S'
_chemical_formula_weight         653.50
_chemical_name_systematic
;
[(Z)-O-Ethyl-N-(o-tolyl)thiocarbamato-
κS](triphenylphosphine-κP)gold(I)
;
_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                95.5140(10)
_cell_angle_beta                 103.3710(10)
_cell_angle_gamma                98.3340(10)
_cell_formula_units_Z            2
_cell_length_a                   9.3378(6)
_cell_length_b                   10.1665(6)
_cell_length_c                   13.9711(8)
_cell_measurement_reflns_used    5740
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      2.3
_cell_volume                     1265.11(13)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2009\\bbr09)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens et al.,  1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_av_sigmaI/netI    0.042
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8823
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.981
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.311
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.62
_refine_diff_density_min         -1.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5772
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.07
_refine_ls_R_factor_all          0.035
_refine_ls_R_factor_gt           0.031
_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)+(0.0692P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.098
_refine_ls_wR_factor_ref         0.104
_reflns_number_gt                5279
_reflns_number_total             5772
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2686.cif
_cod_data_source_block           I
_cod_database_code               2224450
_cod_database_fobs_code          2224450
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.147930(18) 0.358507(16) 0.308910(12) 0.03424(8) Uani d . 1 . .
S S1 -0.00461(14) 0.49405(12) 0.22765(9) 0.0352(2) Uani d . 1 . .
P P1 0.28887(13) 0.21714(12) 0.38273(9) 0.0305(2) Uani d . 1 . .
O O1 -0.1318(4) 0.2462(3) 0.1600(3) 0.0419(8) Uani d . 1 . .
N N1 -0.2434(5) 0.3967(4) 0.0724(3) 0.0392(9) Uani d . 1 . .
C C1 -0.1424(5) 0.3740(5) 0.1420(3) 0.0340(9) Uani d . 1 . .
C C2 -0.2509(5) 0.5300(5) 0.0506(4) 0.0368(10) Uani d . 1 . .
C C3 -0.3452(5) 0.6059(5) 0.0885(3) 0.0375(10) Uani d . 1 . .
C C4 -0.3575(6) 0.7297(5) 0.0590(4) 0.0435(11) Uani d . 1 . .
H H4 -0.4198 0.7813 0.0840 0.052 Uiso calc R 1 . .
C C5 -0.2799(6) 0.7804(6) -0.0070(4) 0.0483(13) Uani d . 1 . .
H H5 -0.2893 0.8658 -0.0256 0.058 Uiso calc R 1 . .
C C6 -0.1902(6) 0.7060(6) -0.0448(4) 0.0447(12) Uani d . 1 . .
H H6 -0.1390 0.7395 -0.0903 0.054 Uiso calc R 1 . .
C C7 -0.1747(5) 0.5813(6) -0.0160(4) 0.0412(11) Uani d . 1 . .
H H7 -0.1120 0.5307 -0.0417 0.049 Uiso calc R 1 . .
C C8 -0.4332(6) 0.5472(6) 0.1575(4) 0.0461(12) Uani d . 1 . .
H H8A -0.4931 0.6107 0.1765 0.069 Uiso calc R 1 . .
H H8B -0.3648 0.5289 0.2164 0.069 Uiso calc R 1 . .
H H8C -0.4981 0.4645 0.1238 0.069 Uiso calc R 1 . .
C C9 -0.2431(6) 0.1389(5) 0.0974(4) 0.0476(12) Uani d . 1 . .
H H9A -0.1996 0.0572 0.0923 0.057 Uiso calc R 1 . .
H H9B -0.2735 0.1637 0.0305 0.057 Uiso calc R 1 . .
C C10 -0.3760(7) 0.1122(7) 0.1382(5) 0.0568(15) Uani d . 1 . .
H H10A -0.4484 0.0400 0.0952 0.085 Uiso calc R 1 . .
H H10B -0.4203 0.1925 0.1420 0.085 Uiso calc R 1 . .
H H10C -0.3462 0.0866 0.2040 0.085 Uiso calc R 1 . .
C C11 0.4873(5) 0.2811(5) 0.4272(4) 0.0336(9) Uani d . 1 . .
C C12 0.5675(6) 0.2763(5) 0.5233(4) 0.0425(11) Uani d . 1 . .
H H12 0.5166 0.2442 0.5694 0.051 Uiso calc R 1 . .
C C13 0.7199(6) 0.3175(6) 0.5527(4) 0.0490(13) Uani d . 1 . .
H H13 0.7724 0.3139 0.6182 0.059 Uiso calc R 1 . .
C C14 0.7945(6) 0.3639(6) 0.4854(5) 0.0523(14) Uani d . 1 . .
H H14 0.8989 0.3902 0.5047 0.063 Uiso calc R 1 . .
C C15 0.7178(6) 0.3723(6) 0.3895(5) 0.0509(13) Uani d . 1 . .
H H15 0.7697 0.4056 0.3443 0.061 Uiso calc R 1 . .
C C16 0.5622(6) 0.3310(5) 0.3600(4) 0.0449(11) Uani d . 1 . .
H H16 0.5092 0.3372 0.2951 0.054 Uiso calc R 1 . .
C C17 0.2775(5) 0.0655(4) 0.2989(3) 0.0317(9) Uani d . 1 . .
C C18 0.3943(6) -0.0073(5) 0.3093(4) 0.0413(11) Uani d . 1 . .
H H18 0.4832 0.0241 0.3587 0.050 Uiso calc R 1 . .
C C19 0.3800(7) -0.1259(6) 0.2472(4) 0.0479(13) Uani d . 1 . .
H H19 0.4599 -0.1736 0.2534 0.058 Uiso calc R 1 . .
C C20 0.2469(8) -0.1739(6) 0.1757(5) 0.0550(14) Uani d . 1 . .
H H20 0.2355 -0.2559 0.1351 0.066 Uiso calc R 1 . .
C C21 0.1319(7) -0.1011(7) 0.1645(5) 0.0578(15) Uani d . 1 . .
H H21 0.0427 -0.1331 0.1155 0.069 Uiso calc R 1 . .
C C22 0.1467(6) 0.0183(6) 0.2245(4) 0.0436(11) Uani d . 1 . .
H H22 0.0685 0.0682 0.2153 0.052 Uiso calc R 1 . .
C C23 0.2305(5) 0.1605(5) 0.4895(3) 0.0328(9) Uani d . 1 . .
C C24 0.2240(6) 0.0302(5) 0.5088(4) 0.0389(10) Uani d . 1 . .
H H24 0.2465 -0.0348 0.4647 0.047 Uiso calc R 1 . .
C C25 0.1840(6) -0.0054(6) 0.5941(4) 0.0478(12) Uani d . 1 . .
H H25 0.1777 -0.0949 0.6068 0.057 Uiso calc R 1 . .
C C26 0.1532(6) 0.0910(6) 0.6604(4) 0.0467(12) Uani d . 1 . .
H H26 0.1288 0.0670 0.7188 0.056 Uiso calc R 1 . .
C C27 0.1583(7) 0.2195(6) 0.6411(4) 0.0502(13) Uani d . 1 . .
H H27 0.1370 0.2843 0.6860 0.060 Uiso calc R 1 . .
C C28 0.1950(6) 0.2562(5) 0.5551(4) 0.0425(11) Uani d . 1 . .
H H28 0.1959 0.3449 0.5412 0.051 Uiso calc R 1 . .
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'
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 . . 177.00(4) y
C1 S1 Au . . 101.39(16) ?
C11 P1 C23 . . 105.3(2) ?
C11 P1 C17 . . 104.4(2) ?
C23 P1 C17 . . 105.6(2) ?
C11 P1 Au . . 116.15(15) ?
C23 P1 Au . . 112.80(15) ?
C17 P1 Au . . 111.68(15) ?
C1 O1 C9 . . 117.5(4) ?
C1 N1 C2 . . 120.8(4) ?
N1 C1 O1 . . 120.6(4) ?
N1 C1 S1 . . 127.0(4) ?
O1 C1 S1 . . 112.4(3) ?
C7 C2 C3 . . 119.5(5) ?
C7 C2 N1 . . 119.5(5) ?
C3 C2 N1 . . 120.7(5) ?
C4 C3 C2 . . 118.4(5) ?
C4 C3 C8 . . 122.2(5) ?
C2 C3 C8 . . 119.3(5) ?
C3 C4 C5 . . 121.6(5) ?
C3 C4 H4 . . 119.2 ?
C5 C4 H4 . . 119.2 ?
C6 C5 C4 . . 119.9(5) ?
C6 C5 H5 . . 120.1 ?
C4 C5 H5 . . 120.1 ?
C5 C6 C7 . . 120.0(5) ?
C5 C6 H6 . . 120.0 ?
C7 C6 H6 . . 120.0 ?
C6 C7 C2 . . 120.6(5) ?
C6 C7 H7 . . 119.7 ?
C2 C7 H7 . . 119.7 ?
C3 C8 H8A . . 109.5 ?
C3 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C3 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
O1 C9 C10 . . 111.1(5) ?
O1 C9 H9A . . 109.4 ?
C10 C9 H9A . . 109.4 ?
O1 C9 H9B . . 109.4 ?
C10 C9 H9B . . 109.4 ?
H9A C9 H9B . . 108.0 ?
C9 C10 H10A . . 109.5 ?
C9 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C9 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C16 C11 C12 . . 119.2(5) ?
C16 C11 P1 . . 117.8(4) ?
C12 C11 P1 . . 123.0(4) ?
C13 C12 C11 . . 121.4(5) ?
C13 C12 H12 . . 119.3 ?
C11 C12 H12 . . 119.3 ?
C14 C13 C12 . . 119.4(5) ?
C14 C13 H13 . . 120.3 ?
C12 C13 H13 . . 120.3 ?
C13 C14 C15 . . 120.7(5) ?
C13 C14 H14 . . 119.6 ?
C15 C14 H14 . . 119.6 ?
C14 C15 C16 . . 119.7(5) ?
C14 C15 H15 . . 120.1 ?
C16 C15 H15 . . 120.1 ?
C11 C16 C15 . . 119.5(5) ?
C11 C16 H16 . . 120.2 ?
C15 C16 H16 . . 120.2 ?
C18 C17 C22 . . 119.2(5) ?
C18 C17 P1 . . 121.5(4) ?
C22 C17 P1 . . 119.3(4) ?
C19 C18 C17 . . 120.4(5) ?
C19 C18 H18 . . 119.8 ?
C17 C18 H18 . . 119.8 ?
C18 C19 C20 . . 119.8(6) ?
C18 C19 H19 . . 120.1 ?
C20 C19 H19 . . 120.1 ?
C21 C20 C19 . . 119.9(5) ?
C21 C20 H20 . . 120.0 ?
C19 C20 H20 . . 120.0 ?
C22 C21 C20 . . 120.5(6) ?
C22 C21 H21 . . 119.7 ?
C20 C21 H21 . . 119.7 ?
C21 C22 C17 . . 120.2(5) ?
C21 C22 H22 . . 119.9 ?
C17 C22 H22 . . 119.9 ?
C24 C23 C28 . . 119.6(5) ?
C24 C23 P1 . . 122.8(4) ?
C28 C23 P1 . . 117.6(4) ?
C23 C24 C25 . . 119.9(5) ?
C23 C24 H24 . . 120.1 ?
C25 C24 H24 . . 120.1 ?
C26 C25 C24 . . 120.2(5) ?
C26 C25 H25 . . 119.9 ?
C24 C25 H25 . . 119.9 ?
C27 C26 C25 . . 120.1(5) ?
C27 C26 H26 . . 119.9 ?
C25 C26 H26 . . 119.9 ?
C26 C27 C28 . . 120.4(5) ?
C26 C27 H27 . . 119.8 ?
C28 C27 H27 . . 119.8 ?
C27 C28 C23 . . 119.8(5) ?
C27 C28 H28 . . 120.1 ?
C23 C28 H28 . . 120.1 ?
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 S1 . 2.3105(11) y
Au P1 . 2.2509(11) y
S1 C1 . 1.768(5) ?
P1 C11 . 1.812(5) ?
P1 C23 . 1.817(5) ?
P1 C17 . 1.819(5) ?
O1 C1 . 1.360(6) ?
O1 C9 . 1.450(6) ?
N1 C1 . 1.254(6) ?
N1 C2 . 1.425(6) ?
C2 C7 . 1.391(7) ?
C2 C3 . 1.410(7) ?
C3 C4 . 1.374(7) ?
C3 C8 . 1.514(7) ?
C4 C5 . 1.390(8) ?
C4 H4 . 0.9400 ?
C5 C6 . 1.366(8) ?
C5 H5 . 0.9400 ?
C6 C7 . 1.384(7) ?
C6 H6 . 0.9400 ?
C7 H7 . 0.9400 ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C8 H8C . 0.9700 ?
C9 C10 . 1.482(9) ?
C9 H9A . 0.9800 ?
C9 H9B . 0.9800 ?
C10 H10A . 0.9700 ?
C10 H10B . 0.9700 ?
C10 H10C . 0.9700 ?
C11 C16 . 1.387(7) ?
C11 C12 . 1.387(7) ?
C12 C13 . 1.375(7) ?
C12 H12 . 0.9400 ?
C13 C14 . 1.373(9) ?
C13 H13 . 0.9400 ?
C14 C15 . 1.382(9) ?
C14 H14 . 0.9400 ?
C15 C16 . 1.403(8) ?
C15 H15 . 0.9400 ?
C16 H16 . 0.9400 ?
C17 C18 . 1.392(7) ?
C17 C22 . 1.396(6) ?
C18 C19 . 1.386(8) ?
C18 H18 . 0.9400 ?
C19 C20 . 1.392(9) ?
C19 H19 . 0.9400 ?
C20 C21 . 1.379(9) ?
C20 H20 . 0.9400 ?
C21 C22 . 1.377(8) ?
C21 H21 . 0.9400 ?
C22 H22 . 0.9400 ?
C23 C24 . 1.372(7) ?
C23 C28 . 1.401(7) ?
C24 C25 . 1.393(7) ?
C24 H24 . 0.9400 ?
C25 C26 . 1.390(8) ?
C25 H25 . 0.9400 ?
C26 C27 . 1.356(9) ?
C26 H26 . 0.9400 ?
C27 C28 . 1.392(8) ?
C27 H27 . 0.9400 ?
C28 H28 . 0.9400 ?
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 . . . . -177.2(4) ?
C2 N1 C1 S1 . . . . 4.3(7) ?
C9 O1 C1 N1 . . . . -1.4(7) ?
C9 O1 C1 S1 . . . . 177.3(4) ?
Au S1 C1 N1 . . . . -171.6(4) ?
Au S1 C1 O1 . . . . 9.8(4) ?
C1 N1 C2 C7 . . . . 89.5(6) ?
C1 N1 C2 C3 . . . . -96.3(6) ?
C7 C2 C3 C4 . . . . -0.7(7) ?
N1 C2 C3 C4 . . . . -174.9(4) ?
C7 C2 C3 C8 . . . . 177.4(5) ?
N1 C2 C3 C8 . . . . 3.1(7) ?
C2 C3 C4 C5 . . . . 0.2(8) ?
C8 C3 C4 C5 . . . . -177.8(5) ?
C3 C4 C5 C6 . . . . 0.7(8) ?
C4 C5 C6 C7 . . . . -1.1(8) ?
C5 C6 C7 C2 . . . . 0.6(8) ?
C3 C2 C7 C6 . . . . 0.3(7) ?
N1 C2 C7 C6 . . . . 174.6(5) ?
C1 O1 C9 C10 . . . . -88.1(6) ?
C23 P1 C11 C16 . . . . 179.7(4) ?
C17 P1 C11 C16 . . . . 68.7(4) ?
Au P1 C11 C16 . . . . -54.7(4) ?
C23 P1 C11 C12 . . . . 2.8(5) ?
C17 P1 C11 C12 . . . . -108.2(4) ?
Au P1 C11 C12 . . . . 128.4(4) ?
C16 C11 C12 C13 . . . . -1.3(8) ?
P1 C11 C12 C13 . . . . 175.5(4) ?
C11 C12 C13 C14 . . . . -0.3(9) ?
C12 C13 C14 C15 . . . . 1.4(9) ?
C13 C14 C15 C16 . . . . -1.0(9) ?
C12 C11 C16 C15 . . . . 1.7(8) ?
P1 C11 C16 C15 . . . . -175.3(4) ?
C14 C15 C16 C11 . . . . -0.5(8) ?
C11 P1 C17 C18 . . . . 26.2(4) ?
C23 P1 C17 C18 . . . . -84.6(4) ?
Au P1 C17 C18 . . . . 152.4(4) ?
C11 P1 C17 C22 . . . . -156.2(4) ?
C23 P1 C17 C22 . . . . 93.0(4) ?
Au P1 C17 C22 . . . . -29.9(4) ?
C22 C17 C18 C19 . . . . -0.7(7) ?
P1 C17 C18 C19 . . . . 177.0(4) ?
C17 C18 C19 C20 . . . . -1.5(8) ?
C18 C19 C20 C21 . . . . 2.3(9) ?
C19 C20 C21 C22 . . . . -0.9(10) ?
C20 C21 C22 C17 . . . . -1.3(9) ?
C18 C17 C22 C21 . . . . 2.1(8) ?
P1 C17 C22 C21 . . . . -175.6(4) ?
C11 P1 C23 C24 . . . . -93.8(4) ?
C17 P1 C23 C24 . . . . 16.3(5) ?
Au P1 C23 C24 . . . . 138.5(4) ?
C11 P1 C23 C28 . . . . 84.5(4) ?
C17 P1 C23 C28 . . . . -165.4(4) ?
Au P1 C23 C28 . . . . -43.2(4) ?
C28 C23 C24 C25 . . . . -0.8(8) ?
P1 C23 C24 C25 . . . . 177.5(4) ?
C23 C24 C25 C26 . . . . -1.1(8) ?
C24 C25 C26 C27 . . . . 1.7(9) ?
C25 C26 C27 C28 . . . . -0.3(9) ?
C26 C27 C28 C23 . . . . -1.6(9) ?
C24 C23 C28 C27 . . . . 2.2(8) ?
P1 C23 C28 C27 . . . . -176.2(4) ?
