#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/41/2224157.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_2224157
loop_
_publ_author_name
'Tadbuppa, Primjira P.'
'Tiekink, Edward R. T.'
_publ_section_title
'[(Z)-N-(3-Chlorophenyl)-O-ethylthiocarbamato-κS](triphenylphosphine-κP)gold(I)'
_journal_coeditor_code           CI2966
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1663
_journal_paper_doi               10.1107/S1600536809049551
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Au (C9 H9 Cl N O S) (C18 H15 P)]'
_chemical_formula_moiety         'C27 H24 Au Cl N O P S'
_chemical_formula_sum            'C27 H24 Au Cl N O P S'
_chemical_formula_weight         673.92
_chemical_name_systematic
;
[(Z)-N-(3-Chlorophenyl)-O-ethylthiocarbamato-
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                110.0760(10)
_cell_angle_beta                 105.2890(10)
_cell_angle_gamma                97.4810(10)
_cell_formula_units_Z            2
_cell_length_a                   8.7561(4)
_cell_length_b                   12.3514(6)
_cell_length_c                   13.0432(6)
_cell_measurement_reflns_used    5349
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      29.7
_cell_measurement_theta_min      2.5
_cell_volume                     1239.52(10)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.022
_diffrn_reflns_av_sigmaI/netI    0.035
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10396
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.212
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.79
_refine_diff_density_min         -0.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5662
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.031
_refine_ls_R_factor_gt           0.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0376P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.064
_refine_ls_wR_factor_ref         0.065
_reflns_number_gt                5184
_reflns_number_total             5662
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci2966.cif
_cod_data_source_block           I
_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_enum 1527 2010-12-29 10:47:43Z saulius 

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_database_code               2224157
_cod_database_fobs_code          2224157
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 0.129193(15) 0.238137(11) 0.027706(10) 0.02816(5) Uani d . 1 . .
Cl Cl 0.38116(14) 0.55776(11) 0.65290(9) 0.0512(3) Uani d . 1 . .
S S1 0.15605(12) 0.37252(8) 0.20892(7) 0.0345(2) Uani d . 1 . .
P P1 0.10947(10) 0.09758(8) -0.14385(7) 0.02494(17) Uani d . 1 . .
O O1 0.2140(3) 0.4991(2) 0.0947(2) 0.0326(5) Uani d . 1 . .
N N1 0.1960(4) 0.6110(3) 0.2686(3) 0.0331(7) Uani d . 1 . .
C C1 0.1923(4) 0.5102(3) 0.1967(3) 0.0303(7) Uani d . 1 . .
C C2 0.1738(4) 0.6210(3) 0.3749(3) 0.0312(8) Uani d . 1 . .
C C3 0.2780(4) 0.5892(3) 0.4543(3) 0.0336(8) Uani d . 1 . .
H H3 0.3665 0.5596 0.4384 0.040 Uiso calc R 1 . .
C C4 0.2509(4) 0.6011(3) 0.5561(3) 0.0338(8) Uani d . 1 . .
C C5 0.1230(5) 0.6436(4) 0.5839(3) 0.0409(9) Uani d . 1 . .
H H5 0.1046 0.6490 0.6530 0.049 Uiso calc R 1 . .
C C6 0.0223(5) 0.6783(4) 0.5051(4) 0.0459(10) Uani d . 1 . .
H H6 -0.0647 0.7093 0.5222 0.055 Uiso calc R 1 . .
C C7 0.0478(5) 0.6679(4) 0.4030(3) 0.0424(9) Uani d . 1 . .
H H7 -0.0209 0.6929 0.3516 0.051 Uiso calc R 1 . .
C C8 0.2069(5) 0.5990(3) 0.0607(3) 0.0362(8) Uani d . 1 . .
H H8A 0.2921 0.6694 0.1178 0.043 Uiso calc R 1 . .
H H8B 0.1003 0.6180 0.0540 0.043 Uiso calc R 1 . .
C C9 0.2333(5) 0.5609(4) -0.0537(4) 0.0406(9) Uani d . 1 . .
H H9A 0.2293 0.6245 -0.0812 0.061 Uiso calc R 1 . .
H H9B 0.1486 0.4908 -0.1089 0.061 Uiso calc R 1 . .
H H9C 0.3392 0.5426 -0.0454 0.061 Uiso calc R 1 . .
C C10 -0.0985(4) 0.0188(3) -0.2372(3) 0.0262(7) Uani d . 1 . .
C C11 -0.1568(4) -0.1021(3) -0.2693(3) 0.0308(7) Uani d . 1 . .
H H11 -0.0861 -0.1468 -0.2463 0.037 Uiso calc R 1 . .
C C12 -0.3194(4) -0.1571(4) -0.3353(3) 0.0379(9) Uani d . 1 . .
H H12 -0.3587 -0.2389 -0.3564 0.045 Uiso calc R 1 . .
C C13 -0.4228(4) -0.0924(4) -0.3697(3) 0.0416(10) Uani d . 1 . .
H H13 -0.5328 -0.1299 -0.4142 0.050 Uiso calc R 1 . .
C C14 -0.3654(5) 0.0279(4) -0.3389(3) 0.0418(9) Uani d . 1 . .
H H14 -0.4366 0.0718 -0.3630 0.050 Uiso calc R 1 . .
C C15 -0.2039(4) 0.0843(4) -0.2728(3) 0.0345(8) Uani d . 1 . .
H H15 -0.1654 0.1661 -0.2522 0.041 Uiso calc R 1 . .
C C16 0.2160(4) -0.0128(3) -0.1206(3) 0.0255(7) Uani d . 1 . .
C C17 0.3041(5) -0.0661(3) -0.1893(3) 0.0373(8) Uani d . 1 . .
H H17 0.3025 -0.0508 -0.2553 0.045 Uiso calc R 1 . .
C C18 0.3940(5) -0.1415(4) -0.1609(4) 0.0429(9) Uani d . 1 . .
H H18 0.4555 -0.1759 -0.2068 0.051 Uiso calc R 1 . .
C C19 0.3949(4) -0.1669(3) -0.0666(3) 0.0374(8) Uani d . 1 . .
H H19 0.4568 -0.2183 -0.0478 0.045 Uiso calc R 1 . .
C C20 0.3047(5) -0.1168(4) 0.0007(4) 0.0413(9) Uani d . 1 . .
H H20 0.3031 -0.1356 0.0645 0.050 Uiso calc R 1 . .
C C21 0.2165(4) -0.0390(3) -0.0253(3) 0.0360(8) Uani d . 1 . .
H H21 0.1568 -0.0038 0.0217 0.043 Uiso calc R 1 . .
C C22 0.1982(4) 0.1559(3) -0.2303(3) 0.0270(7) Uani d . 1 . .
C C23 0.3065(4) 0.2674(3) -0.1774(3) 0.0306(7) Uani d . 1 . .
H H23 0.3297 0.3125 -0.0982 0.037 Uiso calc R 1 . .
C C24 0.3804(4) 0.3123(3) -0.2411(3) 0.0354(8) Uani d . 1 . .
H H24 0.4528 0.3879 -0.2053 0.042 Uiso calc R 1 . .
C C25 0.3477(4) 0.2458(4) -0.3569(3) 0.0369(8) Uani d . 1 . .
H H25 0.3989 0.2761 -0.3997 0.044 Uiso calc R 1 . .
C C26 0.2395(4) 0.1344(4) -0.4110(3) 0.0341(8) Uani d . 1 . .
H H26 0.2177 0.0896 -0.4901 0.041 Uiso calc R 1 . .
C C27 0.1640(4) 0.0897(3) -0.3484(3) 0.0320(7) Uani d . 1 . .
H H27 0.0897 0.0148 -0.3851 0.038 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'
Cl Cl 0.1484 0.1585 '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 . . 175.86(3) ?
C1 S1 Au . . 103.15(12) ?
C22 P1 C16 . . 106.60(15) ?
C22 P1 C10 . . 104.86(15) ?
C16 P1 C10 . . 107.11(15) ?
C22 P1 Au . . 113.34(12) ?
C16 P1 Au . . 110.08(11) ?
C10 P1 Au . . 114.33(10) ?
C1 O1 C8 . . 117.8(3) ?
C1 N1 C2 . . 119.6(3) ?
N1 C1 O1 . . 120.3(3) ?
N1 C1 S1 . . 127.7(3) ?
O1 C1 S1 . . 111.9(2) ?
C7 C2 C3 . . 118.6(4) ?
C7 C2 N1 . . 119.2(3) ?
C3 C2 N1 . . 122.2(3) ?
C4 C3 C2 . . 119.6(3) ?
C4 C3 H3 . . 120.2 ?
C2 C3 H3 . . 120.2 ?
C3 C4 C5 . . 122.6(3) ?
C3 C4 Cl . . 118.6(3) ?
C5 C4 Cl . . 118.7(3) ?
C4 C5 C6 . . 117.2(4) ?
C4 C5 H5 . . 121.4 ?
C6 C5 H5 . . 121.4 ?
C7 C6 C5 . . 121.2(4) ?
C7 C6 H6 . . 119.4 ?
C5 C6 H6 . . 119.4 ?
C6 C7 C2 . . 120.7(4) ?
C6 C7 H7 . . 119.6 ?
C2 C7 H7 . . 119.6 ?
O1 C8 C9 . . 105.7(3) ?
O1 C8 H8A . . 110.6 ?
C9 C8 H8A . . 110.6 ?
O1 C8 H8B . . 110.6 ?
C9 C8 H8B . . 110.6 ?
H8A C8 H8B . . 108.7 ?
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 ?
C11 C10 C15 . . 119.5(3) ?
C11 C10 P1 . . 122.3(3) ?
C15 C10 P1 . . 118.2(3) ?
C10 C11 C12 . . 120.2(4) ?
C10 C11 H11 . . 119.9 ?
C12 C11 H11 . . 119.9 ?
C13 C12 C11 . . 120.2(4) ?
C13 C12 H12 . . 119.9 ?
C11 C12 H12 . . 119.9 ?
C12 C13 C14 . . 120.1(4) ?
C12 C13 H13 . . 120.0 ?
C14 C13 H13 . . 120.0 ?
C13 C14 C15 . . 120.5(4) ?
C13 C14 H14 . . 119.7 ?
C15 C14 H14 . . 119.7 ?
C14 C15 C10 . . 119.6(4) ?
C14 C15 H15 . . 120.2 ?
C10 C15 H15 . . 120.2 ?
C17 C16 C21 . . 119.1(3) ?
C17 C16 P1 . . 123.0(3) ?
C21 C16 P1 . . 117.7(3) ?
C18 C17 C16 . . 120.1(4) ?
C18 C17 H17 . . 120.0 ?
C16 C17 H17 . . 120.0 ?
C19 C18 C17 . . 120.8(4) ?
C19 C18 H18 . . 119.6 ?
C17 C18 H18 . . 119.6 ?
C18 C19 C20 . . 119.7(4) ?
C18 C19 H19 . . 120.1 ?
C20 C19 H19 . . 120.1 ?
C19 C20 C21 . . 120.2(4) ?
C19 C20 H20 . . 119.9 ?
C21 C20 H20 . . 119.9 ?
C20 C21 C16 . . 120.1(3) ?
C20 C21 H21 . . 119.9 ?
C16 C21 H21 . . 119.9 ?
C23 C22 C27 . . 119.4(3) ?
C23 C22 P1 . . 119.2(3) ?
C27 C22 P1 . . 121.4(3) ?
C24 C23 C22 . . 120.2(3) ?
C24 C23 H23 . . 119.9 ?
C22 C23 H23 . . 119.9 ?
C25 C24 C23 . . 120.0(3) ?
C25 C24 H24 . . 120.0 ?
C23 C24 H24 . . 120.0 ?
C24 C25 C26 . . 120.5(3) ?
C24 C25 H25 . . 119.8 ?
C26 C25 H25 . . 119.8 ?
C27 C26 C25 . . 119.9(3) ?
C27 C26 H26 . . 120.0 ?
C25 C26 H26 . . 120.0 ?
C26 C27 C22 . . 120.0(3) ?
C26 C27 H27 . . 120.0 ?
C22 C27 H27 . . 120.0 ?
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 . 2.2588(8) ?
Au S1 . 2.3041(9) ?
Cl C4 . 1.745(4) ?
S1 C1 . 1.759(4) ?
P1 C22 . 1.807(3) ?
P1 C16 . 1.813(3) ?
P1 C10 . 1.817(3) ?
O1 C1 . 1.356(4) ?
O1 C8 . 1.451(4) ?
N1 C1 . 1.265(4) ?
N1 C2 . 1.416(5) ?
C2 C7 . 1.386(5) ?
C2 C3 . 1.392(5) ?
C3 C4 . 1.372(5) ?
C3 H3 . 0.94 ?
C4 C5 . 1.377(5) ?
C5 C6 . 1.392(6) ?
C5 H5 . 0.94 ?
C6 C7 . 1.375(6) ?
C6 H6 . 0.94 ?
C7 H7 . 0.94 ?
C8 C9 . 1.494(6) ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C9 H9A . 0.97 ?
C9 H9B . 0.97 ?
C9 H9C . 0.97 ?
C10 C11 . 1.387(5) ?
C10 C15 . 1.396(5) ?
C11 C12 . 1.390(5) ?
C11 H11 . 0.94 ?
C12 C13 . 1.370(6) ?
C12 H12 . 0.94 ?
C13 C14 . 1.383(6) ?
C13 H13 . 0.94 ?
C14 C15 . 1.384(5) ?
C14 H14 . 0.94 ?
C15 H15 . 0.94 ?
C16 C17 . 1.386(5) ?
C16 C21 . 1.387(5) ?
C17 C18 . 1.378(5) ?
C17 H17 . 0.94 ?
C18 C19 . 1.368(6) ?
C18 H18 . 0.94 ?
C19 C20 . 1.377(6) ?
C19 H19 . 0.94 ?
C20 C21 . 1.384(5) ?
C20 H20 . 0.94 ?
C21 H21 . 0.94 ?
C22 C23 . 1.391(5) ?
C22 C27 . 1.400(5) ?
C23 C24 . 1.387(5) ?
C23 H23 . 0.94 ?
C24 C25 . 1.377(5) ?
C24 H24 . 0.94 ?
C25 C26 . 1.389(6) ?
C25 H25 . 0.94 ?
C26 C27 . 1.382(5) ?
C26 H26 . 0.94 ?
C27 H27 . 0.94 ?
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 . . . . -179.7(3) ?
C2 N1 C1 S1 . . . . 2.0(5) ?
C8 O1 C1 N1 . . . . -12.7(5) ?
C8 O1 C1 S1 . . . . 165.9(2) ?
Au S1 C1 N1 . . . . 170.7(3) ?
Au S1 C1 O1 . . . . -7.7(2) ?
C1 N1 C2 C7 . . . . -122.2(4) ?
C1 N1 C2 C3 . . . . 60.1(5) ?
C7 C2 C3 C4 . . . . 2.1(5) ?
N1 C2 C3 C4 . . . . 179.8(3) ?
C2 C3 C4 C5 . . . . 0.2(6) ?
C2 C3 C4 Cl . . . . 178.8(3) ?
C3 C4 C5 C6 . . . . -1.9(6) ?
Cl C4 C5 C6 . . . . 179.5(3) ?
C4 C5 C6 C7 . . . . 1.4(7) ?
C5 C6 C7 C2 . . . . 0.8(7) ?
C3 C2 C7 C6 . . . . -2.6(6) ?
N1 C2 C7 C6 . . . . 179.6(4) ?
C1 O1 C8 C9 . . . . -179.6(3) ?
C22 P1 C10 C11 . . . . 119.2(3) ?
C16 P1 C10 C11 . . . . 6.1(3) ?
Au P1 C10 C11 . . . . -116.1(3) ?
C22 P1 C10 C15 . . . . -63.8(3) ?
C16 P1 C10 C15 . . . . -176.8(3) ?
Au P1 C10 C15 . . . . 61.0(3) ?
C15 C10 C11 C12 . . . . -0.8(5) ?
P1 C10 C11 C12 . . . . 176.3(3) ?
C10 C11 C12 C13 . . . . 0.4(5) ?
C11 C12 C13 C14 . . . . 0.1(6) ?
C12 C13 C14 C15 . . . . -0.3(6) ?
C13 C14 C15 C10 . . . . 0.0(6) ?
C11 C10 C15 C14 . . . . 0.6(5) ?
P1 C10 C15 C14 . . . . -176.6(3) ?
C22 P1 C16 C17 . . . . -19.4(3) ?
C10 P1 C16 C17 . . . . 92.4(3) ?
Au P1 C16 C17 . . . . -142.7(3) ?
C22 P1 C16 C21 . . . . 156.6(3) ?
C10 P1 C16 C21 . . . . -91.6(3) ?
Au P1 C16 C21 . . . . 33.3(3) ?
C21 C16 C17 C18 . . . . -1.7(5) ?
P1 C16 C17 C18 . . . . 174.3(3) ?
C16 C17 C18 C19 . . . . 1.4(6) ?
C17 C18 C19 C20 . . . . 0.1(6) ?
C18 C19 C20 C21 . . . . -1.5(6) ?
C19 C20 C21 C16 . . . . 1.3(6) ?
C17 C16 C21 C20 . . . . 0.3(5) ?
P1 C16 C21 C20 . . . . -175.8(3) ?
C16 P1 C22 C23 . . . . -103.6(3) ?
C10 P1 C22 C23 . . . . 143.0(3) ?
Au P1 C22 C23 . . . . 17.6(3) ?
C16 P1 C22 C27 . . . . 74.4(3) ?
C10 P1 C22 C27 . . . . -39.0(3) ?
Au P1 C22 C27 . . . . -164.4(2) ?
C27 C22 C23 C24 . . . . -0.3(5) ?
P1 C22 C23 C24 . . . . 177.8(3) ?
C22 C23 C24 C25 . . . . -0.6(5) ?
C23 C24 C25 C26 . . . . 0.7(6) ?
C24 C25 C26 C27 . . . . 0.0(6) ?
C25 C26 C27 C22 . . . . -0.8(5) ?
C23 C22 C27 C26 . . . . 1.0(5) ?
P1 C22 C27 C26 . . . . -177.0(3) ?
