#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/38/2223803.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_2223803
loop_
_publ_author_name
'Ho, Soo Yei'
'Tiekink, Edward R. T.'
_publ_section_title
;[(Z)-O-Ethyl
 N-(4-nitrophenyl)thiocarbamato-κS](triphenylphosphine-κP)gold(I)
 dichloromethane solvate
;
_journal_coeditor_code           HB5169
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1468
_journal_paper_doi               10.1107/S1600536809043876
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Au (C9 H9 N2 O3 S) (C18 H15 P)], C H2 Cl2'
_chemical_formula_moiety         'C27 H24 Au N2 O3 P S, C H2 Cl2'
_chemical_formula_sum            'C28 H26 Au Cl2 N2 O3 P S'
_chemical_formula_weight         769.40
_chemical_name_systematic
;
[(Z)-O-Ethyl
N-(4-nitrophenyl)thiocarbamato-κS](triphenylphosphine-
κP)gold(I) dichloromethane solvate
;
_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
_cell_angle_alpha                104.311(2)
_cell_angle_beta                 105.559(2)
_cell_angle_gamma                91.775(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7525(7)
_cell_length_b                   11.1373(9)
_cell_length_c                   15.8981(13)
_cell_measurement_reflns_used    3380
_cell_measurement_temperature    238(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      2.7
_cell_volume                     1438.7(2)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens et al.,  1992)'
_diffrn_ambient_temperature      238(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       ω
_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  0.064
_diffrn_reflns_av_sigmaI/netI    0.114
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10007
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.4
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.459
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.69
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.94
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6534
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.94
_refine_ls_R_factor_all          0.065
_refine_ls_R_factor_gt           0.055
_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)+(0.0474P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.125
_refine_ls_wR_factor_ref         0.128
_reflns_number_gt                5162
_reflns_number_total             6534
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5169.cif
_cod_data_source_block           I
_cod_database_code               2223803
_cod_database_fobs_code          2223803
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 0.08336(3) 0.29401(3) 0.155405(19) 0.02476(11) Uani d . 1 . .
S S1 0.1369(2) 0.2101(2) 0.02002(14) 0.0337(5) Uani d . 1 . .
P P1 0.0409(2) 0.37531(18) 0.29087(13) 0.0227(4) Uani d . 1 . .
O O1 -0.0966(6) 0.3429(5) -0.0214(4) 0.0304(12) Uani d . 1 . .
O O2 0.3929(8) -0.1228(7) -0.3297(5) 0.061(2) Uani d . 1 . .
O O3 0.4680(9) 0.0425(7) -0.3643(5) 0.066(2) Uani d . 1 . .
N N1 0.0125(8) 0.2734(6) -0.1360(5) 0.0347(16) Uani d . 1 . .
N N2 0.3922(9) -0.0126(8) -0.3252(5) 0.048(2) Uani d . 1 . .
C C1 0.0107(9) 0.2789(7) -0.0565(5) 0.0289(17) Uani d . 1 . .
C C2 0.1120(9) 0.2009(7) -0.1789(5) 0.0281(17) Uani d . 1 . .
C C3 0.1034(10) 0.0715(8) -0.1934(6) 0.038(2) Uani d . 1 . .
H H3 0.0336 0.0315 -0.1707 0.046 Uiso calc R 1 . .
C C4 0.1951(9) 0.0029(8) -0.2401(6) 0.037(2) Uani d . 1 . .
H H4 0.1889 -0.0840 -0.2493 0.044 Uiso calc R 1 . .
C C5 0.2968(9) 0.0618(8) -0.2736(6) 0.0337(19) Uani d . 1 . .
C C6 0.3108(11) 0.1898(9) -0.2601(6) 0.044(2) Uani d . 1 . .
H H6 0.3810 0.2292 -0.2830 0.053 Uiso calc R 1 . .
C C7 0.2176(11) 0.2575(8) -0.2117(6) 0.038(2) Uani d . 1 . .
H H7 0.2264 0.3446 -0.2008 0.046 Uiso calc R 1 . .
C C8 -0.2083(10) 0.4005(8) -0.0801(6) 0.035(2) Uani d . 1 . .
H H8A -0.2696 0.3377 -0.1349 0.042 Uiso calc R 1 . .
H H8B -0.1517 0.4629 -0.0979 0.042 Uiso calc R 1 . .
C C9 -0.3173(11) 0.4610(9) -0.0275(7) 0.047(2) Uani d . 1 . .
H H9A -0.3948 0.5008 -0.0648 0.070 Uiso calc R 1 . .
H H9B -0.2552 0.5230 0.0264 0.070 Uiso calc R 1 . .
H H9C -0.3722 0.3983 -0.0101 0.070 Uiso calc R 1 . .
C C10 0.0794(8) 0.2722(6) 0.3657(5) 0.0175(14) Uani d . 1 . .
C C11 -0.0100(9) 0.2683(7) 0.4250(5) 0.0289(17) Uani d . 1 . .
H H11 -0.0928 0.3197 0.4274 0.035 Uiso calc R 1 . .
C C12 0.0222(10) 0.1895(8) 0.4802(6) 0.0348(19) Uani d . 1 . .
H H12 -0.0391 0.1861 0.5200 0.042 Uiso calc R 1 . .
C C13 0.1461(11) 0.1148(8) 0.4770(6) 0.043(2) Uani d . 1 . .
H H13 0.1698 0.0627 0.5162 0.051 Uiso calc R 1 . .
C C14 0.2344(10) 0.1157(8) 0.4174(6) 0.040(2) Uani d . 1 . .
H H14 0.3160 0.0633 0.4144 0.048 Uiso calc R 1 . .
C C15 0.2008(9) 0.1957(8) 0.3617(6) 0.0328(19) Uani d . 1 . .
H H15 0.2607 0.1979 0.3210 0.039 Uiso calc R 1 . .
C C16 -0.1630(8) 0.4119(7) 0.2803(5) 0.0244(16) Uani d . 1 . .
C C17 -0.1997(10) 0.5095(8) 0.3435(5) 0.0346(19) Uani d . 1 . .
H H17 -0.1180 0.5601 0.3917 0.042 Uiso calc R 1 . .
C C18 -0.4767(11) 0.4562(10) 0.2640(7) 0.049(3) Uani d . 1 . .
H H18 -0.5836 0.4713 0.2583 0.059 Uiso calc R 1 . .
C C19 -0.3572(11) 0.5311(9) 0.3346(6) 0.043(2) Uani d . 1 . .
H H19 -0.3830 0.5969 0.3767 0.052 Uiso calc R 1 . .
C C20 -0.4417(10) 0.3609(10) 0.2025(8) 0.054(3) Uani d . 1 . .
H H20 -0.5240 0.3094 0.1553 0.065 Uiso calc R 1 . .
C C21 -0.2840(9) 0.3400(8) 0.2099(6) 0.037(2) Uani d . 1 . .
H H21 -0.2596 0.2759 0.1661 0.045 Uiso calc R 1 . .
C C22 0.1646(8) 0.5220(7) 0.3530(5) 0.0241(16) Uani d . 1 . .
C C23 0.1571(9) 0.6150(7) 0.3100(5) 0.0281(17) Uani d . 1 . .
H H23 0.0886 0.6027 0.2512 0.034 Uiso calc R 1 . .
C C24 0.2522(11) 0.7291(8) 0.3543(6) 0.042(2) Uani d . 1 . .
H H24 0.2473 0.7942 0.3260 0.051 Uiso calc R 1 . .
C C25 0.3540(11) 0.7435(8) 0.4411(6) 0.041(2) Uani d . 1 . .
H H25 0.4198 0.8186 0.4710 0.049 Uiso calc R 1 . .
C C26 0.3595(9) 0.6500(8) 0.4834(6) 0.0351(19) Uani d . 1 . .
H H26 0.4270 0.6619 0.5424 0.042 Uiso calc R 1 . .
C C27 0.2666(9) 0.5388(8) 0.4397(5) 0.0293(17) Uani d . 1 . .
H H27 0.2719 0.4740 0.4685 0.035 Uiso calc R 1 . .
C C28 0.6962(11) 0.0796(10) 0.9653(7) 0.052(3) Uani d . 1 . .
H H28A 0.7867 0.1437 0.9962 0.063 Uiso calc R 1 . .
H H28B 0.7087 0.0138 0.9970 0.063 Uiso calc R 1 . .
Cl Cl1 0.5199(3) 0.1453(2) 0.9715(2) 0.0559(7) Uani d . 1 . .
Cl Cl2 0.6994(4) 0.0171(4) 0.8542(2) 0.0823(10) Uani d . 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 . . 177.75(7) n
C1 S1 Au . . 104.1(2) ?
C16 P1 C10 . . 106.1(3) ?
C16 P1 C22 . . 105.1(3) ?
C10 P1 C22 . . 106.5(3) ?
C16 P1 Au . . 112.4(3) ?
C10 P1 Au . . 113.5(2) ?
C22 P1 Au . . 112.5(2) ?
C1 O1 C8 . . 116.9(6) ?
C1 N1 C2 . . 123.2(7) ?
O2 N2 O3 . . 123.5(7) ?
O2 N2 C5 . . 119.3(8) ?
O3 N2 C5 . . 117.1(8) ?
N1 C1 O1 . . 120.4(7) ?
N1 C1 S1 . . 126.9(6) ?
O1 C1 S1 . . 112.7(6) ?
C7 C2 C3 . . 118.4(7) ?
C7 C2 N1 . . 119.4(7) ?
C3 C2 N1 . . 122.2(8) ?
C4 C3 C2 . . 120.7(8) ?
C4 C3 H3 . . 119.6 ?
C2 C3 H3 . . 119.6 ?
C3 C4 C5 . . 119.5(8) ?
C3 C4 H4 . . 120.2 ?
C5 C4 H4 . . 120.2 ?
C4 C5 C6 . . 121.9(7) ?
C4 C5 N2 . . 119.2(8) ?
C6 C5 N2 . . 118.9(8) ?
C7 C6 C5 . . 117.4(8) ?
C7 C6 H6 . . 121.3 ?
C5 C6 H6 . . 121.3 ?
C2 C7 C6 . . 122.0(8) ?
C2 C7 H7 . . 119.0 ?
C6 C7 H7 . . 119.0 ?
O1 C8 C9 . . 106.9(7) ?
O1 C8 H8A . . 110.3 ?
C9 C8 H8A . . 110.3 ?
O1 C8 H8B . . 110.3 ?
C9 C8 H8B . . 110.3 ?
H8A C8 H8B . . 108.6 ?
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 . . 119.9(7) ?
C11 C10 P1 . . 121.6(5) ?
C15 C10 P1 . . 118.5(6) ?
C12 C11 C10 . . 120.0(7) ?
C12 C11 H11 . . 120.0 ?
C10 C11 H11 . . 120.0 ?
C11 C12 C13 . . 119.7(8) ?
C11 C12 H12 . . 120.1 ?
C13 C12 H12 . . 120.1 ?
C14 C13 C12 . . 121.1(8) ?
C14 C13 H13 . . 119.5 ?
C12 C13 H13 . . 119.5 ?
C13 C14 C15 . . 118.8(8) ?
C13 C14 H14 . . 120.6 ?
C15 C14 H14 . . 120.6 ?
C10 C15 C14 . . 120.5(8) ?
C10 C15 H15 . . 119.7 ?
C14 C15 H15 . . 119.7 ?
C21 C16 C17 . . 119.3(7) ?
C21 C16 P1 . . 119.2(6) ?
C17 C16 P1 . . 121.4(6) ?
C19 C17 C16 . . 119.4(8) ?
C19 C17 H17 . . 120.3 ?
C16 C17 H17 . . 120.3 ?
C20 C18 C19 . . 120.8(8) ?
C20 C18 H18 . . 119.6 ?
C19 C18 H18 . . 119.6 ?
C18 C19 C17 . . 120.0(8) ?
C18 C19 H19 . . 120.0 ?
C17 C19 H19 . . 120.0 ?
C18 C20 C21 . . 119.6(9) ?
C18 C20 H20 . . 120.2 ?
C21 C20 H20 . . 120.2 ?
C16 C21 C20 . . 120.8(8) ?
C16 C21 H21 . . 119.6 ?
C20 C21 H21 . . 119.6 ?
C23 C22 C27 . . 120.6(7) ?
C23 C22 P1 . . 117.4(6) ?
C27 C22 P1 . . 122.0(6) ?
C22 C23 C24 . . 119.7(8) ?
C22 C23 H23 . . 120.2 ?
C24 C23 H23 . . 120.2 ?
C25 C24 C23 . . 118.7(8) ?
C25 C24 H24 . . 120.7 ?
C23 C24 H24 . . 120.7 ?
C26 C25 C24 . . 121.0(8) ?
C26 C25 H25 . . 119.5 ?
C24 C25 H25 . . 119.5 ?
C25 C26 C27 . . 120.1(8) ?
C25 C26 H26 . . 119.9 ?
C27 C26 H26 . . 119.9 ?
C26 C27 C22 . . 120.0(8) ?
C26 C27 H27 . . 120.0 ?
C22 C27 H27 . . 120.0 ?
Cl2 C28 Cl1 . . 112.4(6) ?
Cl2 C28 H28A . . 109.1 ?
Cl1 C28 H28A . . 109.1 ?
Cl2 C28 H28B . . 109.1 ?
Cl1 C28 H28B . . 109.1 ?
H28A C28 H28B . . 107.9 ?
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 . 2.3019(19) y
Au P1 . 2.2545(18) y
S1 C1 . 1.755(8) ?
P1 C16 . 1.816(7) ?
P1 C10 . 1.825(7) ?
P1 C22 . 1.826(8) ?
O1 C1 . 1.352(8) ?
O1 C8 . 1.444(9) ?
O2 N2 . 1.212(10) ?
O3 N2 . 1.260(11) ?
N1 C1 . 1.255(10) ?
N1 C2 . 1.401(9) ?
N2 C5 . 1.460(10) ?
C2 C7 . 1.382(11) ?
C2 C3 . 1.397(12) ?
C3 C4 . 1.362(11) ?
C3 H3 . 0.9400 ?
C4 C5 . 1.377(12) ?
C4 H4 . 0.9400 ?
C5 C6 . 1.385(12) ?
C6 C7 . 1.383(11) ?
C6 H6 . 0.9400 ?
C7 H7 . 0.9400 ?
C8 C9 . 1.500(10) ?
C8 H8A . 0.9800 ?
C8 H8B . 0.9800 ?
C9 H9A . 0.9700 ?
C9 H9B . 0.9700 ?
C9 H9C . 0.9700 ?
C10 C11 . 1.385(10) ?
C10 C15 . 1.387(9) ?
C11 C12 . 1.373(11) ?
C11 H11 . 0.9400 ?
C12 C13 . 1.391(12) ?
C12 H12 . 0.9400 ?
C13 C14 . 1.376(13) ?
C13 H13 . 0.9400 ?
C14 C15 . 1.389(12) ?
C14 H14 . 0.9400 ?
C15 H15 . 0.9400 ?
C16 C21 . 1.373(11) ?
C16 C17 . 1.396(10) ?
C17 C19 . 1.383(11) ?
C17 H17 . 0.9400 ?
C18 C20 . 1.356(13) ?
C18 C19 . 1.380(13) ?
C18 H18 . 0.9400 ?
C19 H19 . 0.9400 ?
C20 C21 . 1.386(11) ?
C20 H20 . 0.9400 ?
C21 H21 . 0.9400 ?
C22 C23 . 1.370(11) ?
C22 C27 . 1.390(10) ?
C23 C24 . 1.408(12) ?
C23 H23 . 0.9400 ?
C24 C25 . 1.395(13) ?
C24 H24 . 0.9400 ?
C25 C26 . 1.367(13) ?
C25 H25 . 0.9400 ?
C26 C27 . 1.374(11) ?
C26 H26 . 0.9400 ?
C27 H27 . 0.9400 ?
C28 Cl2 . 1.740(11) ?
C28 Cl1 . 1.743(9) ?
C28 H28A . 0.9800 ?
C28 H28B . 0.9800 ?
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
C23 H23 N1 2_565 0.94 2.55 3.318(11) 139 y
C14 H14 O3 2_655 0.94 2.47 3.366(12) 160 y
C28 H28a O1 1_656 0.98 2.52 3.330(13) 140 y
C28 H28b S1 2_656 0.98 2.86 3.617(11) 134 y
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 . . . . -174.9(7) ?
C2 N1 C1 S1 . . . . 5.0(13) ?
C8 O1 C1 N1 . . . . 1.3(11) ?
C8 O1 C1 S1 . . . . -178.6(6) ?
Au S1 C1 N1 . . . . 170.3(8) ?
Au S1 C1 O1 . . . . -9.8(6) ?
C1 N1 C2 C7 . . . . -122.3(9) ?
C1 N1 C2 C3 . . . . 60.6(12) ?
C7 C2 C3 C4 . . . . -1.1(13) ?
N1 C2 C3 C4 . . . . 176.0(8) ?
C2 C3 C4 C5 . . . . -0.3(13) ?
C3 C4 C5 C6 . . . . 1.0(13) ?
C3 C4 C5 N2 . . . . -178.7(8) ?
O2 N2 C5 C4 . . . . -7.6(12) ?
O3 N2 C5 C4 . . . . 171.2(8) ?
O2 N2 C5 C6 . . . . 172.6(8) ?
O3 N2 C5 C6 . . . . -8.5(12) ?
C4 C5 C6 C7 . . . . -0.4(14) ?
N2 C5 C6 C7 . . . . 179.4(8) ?
C3 C2 C7 C6 . . . . 1.8(13) ?
N1 C2 C7 C6 . . . . -175.4(8) ?
C5 C6 C7 C2 . . . . -1.1(14) ?
C1 O1 C8 C9 . . . . 178.0(7) ?
C16 P1 C10 C11 . . . . -21.5(7) ?
C22 P1 C10 C11 . . . . 90.1(6) ?
Au P1 C10 C11 . . . . -145.5(5) ?
C16 P1 C10 C15 . . . . 157.9(6) ?
C22 P1 C10 C15 . . . . -90.4(6) ?
Au P1 C10 C15 . . . . 34.0(6) ?
C15 C10 C11 C12 . . . . 0.5(11) ?
P1 C10 C11 C12 . . . . 179.9(6) ?
C10 C11 C12 C13 . . . . 0.7(12) ?
C11 C12 C13 C14 . . . . -1.9(14) ?
C12 C13 C14 C15 . . . . 1.8(14) ?
C11 C10 C15 C14 . . . . -0.6(12) ?
P1 C10 C15 C14 . . . . 180.0(6) ?
C13 C14 C15 C10 . . . . -0.6(13) ?
C10 P1 C16 C21 . . . . -92.8(7) ?
C22 P1 C16 C21 . . . . 154.5(7) ?
Au P1 C16 C21 . . . . 31.8(7) ?
C10 P1 C16 C17 . . . . 85.6(7) ?
C22 P1 C16 C17 . . . . -27.1(8) ?
Au P1 C16 C17 . . . . -149.8(6) ?
C21 C16 C17 C19 . . . . 0.7(13) ?
P1 C16 C17 C19 . . . . -177.6(7) ?
C20 C18 C19 C17 . . . . 0.0(15) ?
C16 C17 C19 C18 . . . . 0.3(14) ?
C19 C18 C20 C21 . . . . -1.2(17) ?
C17 C16 C21 C20 . . . . -2.0(14) ?
P1 C16 C21 C20 . . . . 176.4(8) ?
C18 C20 C21 C16 . . . . 2.3(16) ?
C16 P1 C22 C23 . . . . -68.1(6) ?
C10 P1 C22 C23 . . . . 179.5(5) ?
Au P1 C22 C23 . . . . 54.5(6) ?
C16 P1 C22 C27 . . . . 113.7(6) ?
C10 P1 C22 C27 . . . . 1.3(7) ?
Au P1 C22 C27 . . . . -123.7(6) ?
C27 C22 C23 C24 . . . . -0.6(11) ?
P1 C22 C23 C24 . . . . -178.9(6) ?
C22 C23 C24 C25 . . . . 0.9(11) ?
C23 C24 C25 C26 . . . . -1.3(13) ?
C24 C25 C26 C27 . . . . 1.4(13) ?
C25 C26 C27 C22 . . . . -1.2(12) ?
C23 C22 C27 C26 . . . . 0.8(11) ?
P1 C22 C27 C26 . . . . 178.9(6) ?
