#------------------------------------------------------------------------------
#$Date: 2020-07-18 02:46:54 +0300 (Sat, 18 Jul 2020) $
#$Revision: 254391 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/34/2243494.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_2243494
loop_
_publ_author_name
'Yeo, Chien Ing'
'Tan, Sang Loon'
'Kwong, Huey Chong'
'Tiekink, Edward R. T.'
_publ_section_title
;
 [(Z)-N-(3-Fluorophenyl)-O-methylthiocarbamato-κS](triphenylphosphane-κP)gold(I):
 crystal structure, Hirshfeld surface analysis and computational study
;
_journal_coeditor_code           HB7932
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1284
_journal_page_last               1290
_journal_paper_doi               10.1107/S2056989020009469
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '[Au (C8 H7 F N O S) (C18 H15 P)]'
_chemical_formula_moiety         'C26 H22 Au F N O P S'
_chemical_formula_sum            'C26 H22 Au F N O P S'
_chemical_formula_weight         643.44
_chemical_name_systematic
'[(Z)-N-(3-Fluorophenyl)-O-methylthiocarbamato-κS](triphenylphosphane-κP)gold(I)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 99.361(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9311(3)
_cell_length_b                   17.2458(6)
_cell_length_c                   15.6857(5)
_cell_measurement_reflns_used    12325
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.4380
_cell_measurement_theta_min      3.9280
_cell_volume                     2383.80(14)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2013)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg,
2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0345
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25800
_diffrn_reflns_theta_full        27.497
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         2.840
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.353
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2013)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.171
_refine_diff_density_min         -1.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0230
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0190P)²+0.9042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0504
_reflns_number_gt                5017
_reflns_number_total             5429
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            hb7932sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2243494
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.252
_shelx_estimated_absorpt_t_max   0.252
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.19089(2) 0.29511(2) 0.43142(2) 0.01422(5) Uani d 1 . .
S S1 0.25242(9) 0.42032(5) 0.40015(4) 0.02170(17) Uani d 1 . .
P P1 0.11477(8) 0.17558(4) 0.46267(4) 0.01214(15) Uani d 1 . .
F F1 0.3783(2) 0.74491(12) 0.34520(12) 0.0342(5) Uani d 1 . .
O O1 0.3182(2) 0.40907(13) 0.56743(11) 0.0174(4) Uani d 1 . .
N N1 0.2716(3) 0.53368(14) 0.52214(14) 0.0166(5) Uani d 1 . .
C C1 0.2802(3) 0.46274(18) 0.50373(17) 0.0166(6) Uani d 1 . .
C C2 0.2227(3) 0.58863(18) 0.45714(17) 0.0168(6) Uani d 1 . .
C C3 0.3275(3) 0.63954(18) 0.43078(18) 0.0196(6) Uani d 1 . .
H H3 0.432629 0.635322 0.453168 0.023 Uiso calc 1 . .
C C4 0.2749(4) 0.69595(18) 0.3716(2) 0.0220(7) Uani d 1 . .
C C5 0.1236(4) 0.70522(18) 0.3365(2) 0.0224(7) Uani d 1 . .
H H5 0.091705 0.744606 0.295236 0.027 Uiso calc 1 . .
C C6 0.0213(3) 0.65520(19) 0.36383(18) 0.0214(7) Uani d 1 . .
H H6 -0.083664 0.660487 0.341475 0.026 Uiso calc 1 . .
C C7 0.0685(3) 0.59706(18) 0.42351(18) 0.0200(6) Uani d 1 . .
H H7 -0.003907 0.562999 0.441510 0.024 Uiso calc 1 . .
C C8 0.3549(4) 0.4400(2) 0.65366(18) 0.0259(7) Uani d 1 . .
H H8A 0.382956 0.397437 0.694599 0.039 Uiso calc 1 . .
H H8B 0.266609 0.467333 0.668620 0.039 Uiso calc 1 . .
H H8C 0.440246 0.476108 0.656412 0.039 Uiso calc 1 . .
C C11 0.2043(3) 0.09645(17) 0.41333(16) 0.0137(6) Uani d 1 . .
C C12 0.2005(3) 0.09928(18) 0.32403(16) 0.0157(6) Uani d 1 . .
H H12 0.154329 0.141957 0.291578 0.019 Uiso calc 1 . .
C C13 0.2641(3) 0.03972(18) 0.28306(18) 0.0186(6) Uani d 1 . .
H H13 0.261179 0.041530 0.222276 0.022 Uiso calc 1 . .
C C14 0.3322(3) -0.02258(18) 0.32988(18) 0.0197(6) Uani d 1 . .
H H14 0.375062 -0.063543 0.301276 0.024 Uiso calc 1 . .
C C15 0.3376(3) -0.02491(18) 0.41910(18) 0.0198(6) Uani d 1 . .
H H15 0.384366 -0.067488 0.451488 0.024 Uiso calc 1 . .
C C16 0.2747(3) 0.03502(18) 0.46069(17) 0.0165(6) Uani d 1 . .
H H16 0.279928 0.033867 0.521660 0.020 Uiso calc 1 . .
C C21 -0.0875(3) 0.16265(17) 0.42616(16) 0.0139(6) Uani d 1 . .
C C22 -0.1844(3) 0.22366(19) 0.43861(18) 0.0190(6) Uani d 1 . .
H H22 -0.144129 0.270054 0.465862 0.023 Uiso calc 1 . .
C C23 -0.3395(4) 0.2166(2) 0.4112(2) 0.0233(7) Uani d 1 . .
H H23 -0.405616 0.257836 0.420261 0.028 Uiso calc 1 . .
C C24 -0.3976(3) 0.1491(2) 0.37058(18) 0.0220(7) Uani d 1 . .
H H24 -0.503754 0.144248 0.351765 0.026 Uiso calc 1 . .
C C25 -0.3024(3) 0.08884(19) 0.35728(17) 0.0197(6) Uani d 1 . .
H H25 -0.343172 0.043087 0.328736 0.024 Uiso calc 1 . .
C C26 -0.1474(3) 0.09489(18) 0.38545(16) 0.0161(6) Uani d 1 . .
H H26 -0.082202 0.053035 0.377065 0.019 Uiso calc 1 . .
C C31 0.1488(3) 0.15679(17) 0.57834(16) 0.0140(6) Uani d 1 . .
C C32 0.0449(3) 0.11807(17) 0.61907(17) 0.0177(6) Uani d 1 . .
H H32 -0.047892 0.100392 0.586516 0.021 Uiso calc 1 . .
C C33 0.0759(3) 0.10496(18) 0.70764(17) 0.0206(6) Uani d 1 . .
H H33 0.004161 0.078454 0.735568 0.025 Uiso calc 1 . .
C C34 0.2111(4) 0.13046(19) 0.75517(18) 0.0255(7) Uani d 1 . .
H H34 0.232732 0.121070 0.815605 0.031 Uiso calc 1 . .
C C35 0.3144(4) 0.1695(2) 0.71456(19) 0.0274(8) Uani d 1 . .
H H35 0.407258 0.186851 0.747336 0.033 Uiso calc 1 . .
C C36 0.2843(4) 0.1838(2) 0.62661(19) 0.0232(7) Uani d 1 . .
H H36 0.355046 0.211765 0.599282 0.028 Uiso calc 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'
F F 0.0171 0.0103 '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 . . 176.10(3) ?
C1 S1 Au . . 101.30(10) ?
C11 P1 C21 . . 104.91(13) ?
C11 P1 C31 . . 106.09(13) ?
C21 P1 C31 . . 106.78(12) ?
C11 P1 Au . . 115.21(9) ?
C21 P1 Au . . 111.34(10) ?
C31 P1 Au . . 111.91(10) ?
C1 O1 C8 . . 115.4(2) ?
C1 N1 C2 . . 120.6(2) ?
N1 C1 O1 . . 120.5(2) ?
N1 C1 S1 . . 127.5(2) ?
O1 C1 S1 . . 112.0(2) ?
C3 C2 C7 . . 119.3(3) ?
C3 C2 N1 . . 119.6(3) ?
C7 C2 N1 . . 120.8(3) ?
C4 C3 C2 . . 118.3(3) ?
C4 C3 H3 . . 120.9 ?
C2 C3 H3 . . 120.9 ?
F1 C4 C3 . . 118.0(3) ?
F1 C4 C5 . . 118.3(3) ?
C3 C4 C5 . . 123.7(3) ?
C6 C5 C4 . . 117.4(3) ?
C6 C5 H5 . . 121.3 ?
C4 C5 H5 . . 121.3 ?
C5 C6 C7 . . 121.2(3) ?
C5 C6 H6 . . 119.4 ?
C7 C6 H6 . . 119.4 ?
C6 C7 C2 . . 120.1(3) ?
C6 C7 H7 . . 120.0 ?
C2 C7 H7 . . 120.0 ?
O1 C8 H8A . . 109.5 ?
O1 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
O1 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C16 C11 C12 . . 120.0(3) ?
C16 C11 P1 . . 122.6(2) ?
C12 C11 P1 . . 117.4(2) ?
C13 C12 C11 . . 119.7(3) ?
C13 C12 H12 . . 120.1 ?
C11 C12 H12 . . 120.1 ?
C12 C13 C14 . . 120.6(3) ?
C12 C13 H13 . . 119.7 ?
C14 C13 H13 . . 119.7 ?
C13 C14 C15 . . 119.7(3) ?
C13 C14 H14 . . 120.1 ?
C15 C14 H14 . . 120.1 ?
C16 C15 C14 . . 120.0(3) ?
C16 C15 H15 . . 120.0 ?
C14 C15 H15 . . 120.0 ?
C11 C16 C15 . . 120.0(2) ?
C11 C16 H16 . . 120.0 ?
C15 C16 H16 . . 120.0 ?
C26 C21 C22 . . 119.7(3) ?
C26 C21 P1 . . 122.3(2) ?
C22 C21 P1 . . 118.1(2) ?
C23 C22 C21 . . 120.1(3) ?
C23 C22 H22 . . 120.0 ?
C21 C22 H22 . . 120.0 ?
C22 C23 C24 . . 119.7(3) ?
C22 C23 H23 . . 120.1 ?
C24 C23 H23 . . 120.1 ?
C25 C24 C23 . . 120.5(3) ?
C25 C24 H24 . . 119.7 ?
C23 C24 H24 . . 119.7 ?
C24 C25 C26 . . 120.2(3) ?
C24 C25 H25 . . 119.9 ?
C26 C25 H25 . . 119.9 ?
C25 C26 C21 . . 119.8(3) ?
C25 C26 H26 . . 120.1 ?
C21 C26 H26 . . 120.1 ?
C32 C31 C36 . . 119.9(2) ?
C32 C31 P1 . . 122.1(2) ?
C36 C31 P1 . . 118.0(2) ?
C31 C32 C33 . . 120.1(3) ?
C31 C32 H32 . . 120.0 ?
C33 C32 H32 . . 120.0 ?
C34 C33 C32 . . 120.1(3) ?
C34 C33 H33 . . 120.0 ?
C32 C33 H33 . . 120.0 ?
C35 C34 C33 . . 119.8(3) ?
C35 C34 H34 . . 120.1 ?
C33 C34 H34 . . 120.1 ?
C34 C35 C36 . . 120.8(3) ?
C34 C35 H35 . . 119.6 ?
C36 C35 H35 . . 119.6 ?
C35 C36 C31 . . 119.4(3) ?
C35 C36 H36 . . 120.3 ?
C31 C36 H36 . . 120.3 ?
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 . 2.2494(8) ?
Au S1 . 2.3007(8) ?
S1 C1 . 1.762(3) ?
P1 C11 . 1.817(3) ?
P1 C21 . 1.818(3) ?
P1 C31 . 1.819(3) ?
F1 C4 . 1.365(3) ?
O1 C1 . 1.364(3) ?
O1 C8 . 1.441(3) ?
N1 C1 . 1.262(4) ?
N1 C2 . 1.408(4) ?
C2 C3 . 1.394(4) ?
C2 C7 . 1.400(4) ?
C3 C4 . 1.374(4) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.382(4) ?
C5 C6 . 1.375(4) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.390(4) ?
C6 H6 . 0.9500 ?
C7 H7 . 0.9500 ?
C8 H8A . 0.9800 ?
C8 H8B . 0.9800 ?
C8 H8C . 0.9800 ?
C11 C16 . 1.385(4) ?
C11 C12 . 1.397(4) ?
C12 C13 . 1.382(4) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.385(4) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.393(4) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.389(4) ?
C15 H15 . 0.9500 ?
C16 H16 . 0.9500 ?
C21 C26 . 1.396(4) ?
C21 C22 . 1.396(4) ?
C22 C23 . 1.387(4) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.387(5) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.379(4) ?
C24 H24 . 0.9500 ?
C25 C26 . 1.387(4) ?
C25 H25 . 0.9500 ?
C26 H26 . 0.9500 ?
C31 C32 . 1.382(4) ?
C31 C36 . 1.399(4) ?
C32 C33 . 1.390(4) ?
C32 H32 . 0.9500 ?
C33 C34 . 1.384(4) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.379(5) ?
C34 H34 . 0.9500 ?
C35 C36 . 1.384(4) ?
C35 H35 . 0.9500 ?
C36 H36 . 0.9500 ?
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
C3 H3 O1 3_666 0.95 2.42 3.269(3) 148
C36 H36 F1 3_666 0.95 2.51 3.218(4) 131
C13 H13 S1 2_545 0.95 2.83 3.519(3) 130
C13 H13 Cg1 2_545 0.95 2.74 3.500(3) 137
C22 H22 Cg1 3_566 0.95 2.63 3.397(3) 138
C24 H24 Cg2 1_455 0.95 2.80 3.552(3) 137
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 . . . . -175.8(2) ?
C2 N1 C1 S1 . . . . 5.8(4) ?
C8 O1 C1 N1 . . . . -3.5(4) ?
C8 O1 C1 S1 . . . . 175.15(19) ?
Au S1 C1 N1 . . . . -157.0(2) ?
Au S1 C1 O1 . . . . 24.52(19) ?
C1 N1 C2 C3 . . . . -107.2(3) ?
C1 N1 C2 C7 . . . . 78.0(4) ?
C7 C2 C3 C4 . . . . -0.7(4) ?
N1 C2 C3 C4 . . . . -175.6(3) ?
C2 C3 C4 F1 . . . . -179.1(2) ?
C2 C3 C4 C5 . . . . 0.0(4) ?
F1 C4 C5 C6 . . . . 179.8(3) ?
C3 C4 C5 C6 . . . . 0.7(5) ?
C4 C5 C6 C7 . . . . -0.8(4) ?
C5 C6 C7 C2 . . . . 0.1(4) ?
C3 C2 C7 C6 . . . . 0.6(4) ?
N1 C2 C7 C6 . . . . 175.5(3) ?
C21 P1 C11 C16 . . . . -109.9(2) ?
C31 P1 C11 C16 . . . . 2.9(3) ?
Au P1 C11 C16 . . . . 127.3(2) ?
C21 P1 C11 C12 . . . . 70.2(2) ?
C31 P1 C11 C12 . . . . -177.0(2) ?
Au P1 C11 C12 . . . . -52.6(2) ?
C16 C11 C12 C13 . . . . 1.5(4) ?
P1 C11 C12 C13 . . . . -178.7(2) ?
C11 C12 C13 C14 . . . . -0.3(4) ?
C12 C13 C14 C15 . . . . -0.5(4) ?
C13 C14 C15 C16 . . . . 0.1(4) ?
C12 C11 C16 C15 . . . . -1.9(4) ?
P1 C11 C16 C15 . . . . 178.3(2) ?
C14 C15 C16 C11 . . . . 1.1(4) ?
C11 P1 C21 C26 . . . . 12.2(2) ?
C31 P1 C21 C26 . . . . -100.1(2) ?
Au P1 C21 C26 . . . . 137.4(2) ?
C11 P1 C21 C22 . . . . -166.8(2) ?
C31 P1 C21 C22 . . . . 80.9(2) ?
Au P1 C21 C22 . . . . -41.6(2) ?
C26 C21 C22 C23 . . . . 0.5(4) ?
P1 C21 C22 C23 . . . . 179.5(2) ?
C21 C22 C23 C24 . . . . -0.7(5) ?
C22 C23 C24 C25 . . . . 0.1(5) ?
C23 C24 C25 C26 . . . . 0.8(4) ?
C24 C25 C26 C21 . . . . -1.0(4) ?
C22 C21 C26 C25 . . . . 0.4(4) ?
P1 C21 C26 C25 . . . . -178.6(2) ?
C11 P1 C31 C32 . . . . -94.4(3) ?
C21 P1 C31 C32 . . . . 17.1(3) ?
Au P1 C31 C32 . . . . 139.2(2) ?
C11 P1 C31 C36 . . . . 86.5(3) ?
C21 P1 C31 C36 . . . . -161.9(2) ?
Au P1 C31 C36 . . . . -39.9(3) ?
C36 C31 C32 C33 . . . . -1.0(4) ?
P1 C31 C32 C33 . . . . 179.9(2) ?
C31 C32 C33 C34 . . . . -0.2(4) ?
C32 C33 C34 C35 . . . . 0.6(5) ?
C33 C34 C35 C36 . . . . 0.2(5) ?
C34 C35 C36 C31 . . . . -1.3(5) ?
C32 C31 C36 C35 . . . . 1.8(5) ?
P1 C31 C36 C35 . . . . -179.1(3) ?

_cod_database_fobs_code 2243494
