#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:10:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179883 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/79/7017925.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7017925
loop_
_publ_author_name
'Castiñeiras, Alfonso'
'Pedrido, Rosa'
_publ_section_title
;
 Aurophilicity in gold(I) thiosemicarbazone clusters.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1363
_journal_page_last               1372
_journal_paper_doi               10.1039/c1dt11680k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C21 H20 Au2 Cl2 N3 P S'
_chemical_formula_sum            'C21 H20 Au2 Cl2 N3 P S'
_chemical_formula_weight         842.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.296(4)
_cell_angle_beta                 105.008(4)
_cell_angle_gamma                96.479(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1233(8)
_cell_length_b                   10.3094(8)
_cell_length_c                   13.3409(11)
_cell_measurement_reflns_used    7690
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.5
_cell_measurement_theta_min      2.44
_cell_volume                     1175.64(17)
_computing_cell_refinement       'APEX2 Software (Bruker, 2005)'
_computing_data_collection       'APEX2 Software (Bruker, 2005)'
_computing_data_reduction        'APEX2 Software (Bruker, 2005)'
_computing_molecular_graphics    'PLATON (Spek, 2004)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker X8 KappaAPEXII'
_diffrn_measurement_method       'omega/phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            48953
_diffrn_reflns_theta_full        34.97
_diffrn_reflns_theta_max         34.97
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    12.863
_exptl_absorpt_correction_T_max  0.5656
_exptl_absorpt_correction_T_min  0.1641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.123
_refine_diff_density_min         -2.774
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         10345
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0263
_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)+(0.0226P)²+1.2610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0557
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                8699
_reflns_number_total             10345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11680k.txt
_cod_data_source_block           06rp03
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               7017925
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.553596(12) 0.611975(10) 0.172575(8) 0.01243(3) Uani 1 1 d .
Au2 Au 0.439928(13) 0.087032(10) -0.202033(8) 0.01717(3) Uani 1 1 d .
Cl1 Cl 0.35957(8) 0.61718(7) 0.02249(5) 0.01705(12) Uani 1 1 d .
Cl2 Cl 0.64432(9) 0.12428(7) -0.27036(6) 0.02217(14) Uani 1 1 d .
S1 S 0.23901(9) 0.01138(8) -0.14569(6) 0.02253(15) Uani 1 1 d .
P1 P 0.74181(8) 0.58186(7) 0.30715(5) 0.01190(12) Uani 1 1 d .
N12 N 0.4395(3) 0.1949(2) 0.15272(18) 0.0153(4) Uani 1 1 d .
N13 N 0.4093(3) 0.1614(2) 0.04409(19) 0.0172(5) Uani 1 1 d .
H13A H 0.4513 0.2052 0.0101 0.021 Uiso 1 1 d R
N14 N 0.2264(3) -0.0089(2) 0.0462(2) 0.0181(5) Uani 1 1 d .
H14A H 0.2658 0.0144 0.1056 0.022 Uiso 1 1 d R
C11 C 0.6785(3) 0.4564(3) 0.3748(2) 0.0121(4) Uani 1 1 d .
C12 C 0.7133(3) 0.4868(3) 0.4864(2) 0.0152(5) Uani 1 1 d .
H12 H 0.7627 0.5635 0.5203 0.018 Uiso 1 1 d R
C13 C 0.6699(3) 0.3929(3) 0.5405(2) 0.0169(5) Uani 1 1 d .
H13 H 0.6983 0.4127 0.6172 0.020 Uiso 1 1 d R
C14 C 0.5907(3) 0.2673(3) 0.4845(2) 0.0183(5) Uani 1 1 d .
H14 H 0.5671 0.2054 0.5181 0.022 Uiso 1 1 d R
C15 C 0.5494(3) 0.2374(3) 0.3743(2) 0.0170(5) Uani 1 1 d .
H15 H 0.4990 0.1617 0.3426 0.020 Uiso 1 1 d R
C16 C 0.5916(3) 0.3306(3) 0.3179(2) 0.0144(5) Uani 1 1 d .
C17 C 0.5513(3) 0.2920(3) 0.2018(2) 0.0138(5) Uani 1 1 d .
H17 H 0.6195 0.3480 0.1749 0.017 Uiso 1 1 d R
C18 C 0.2960(3) 0.0572(3) -0.0088(2) 0.0158(5) Uani 1 1 d .
C19 C 0.1116(4) -0.1294(3) 0.0016(3) 0.0243(6) Uani 1 1 d .
H19A H 0.0256 -0.1144 -0.0529 0.037 Uiso 1 1 d R
H19B H 0.0695 -0.1588 0.0543 0.037 Uiso 1 1 d R
H19C H 0.1527 -0.1906 -0.0255 0.037 Uiso 1 1 d R
C21 C 0.8967(3) 0.5226(3) 0.2594(2) 0.0127(5) Uani 1 1 d .
C22 C 0.9574(4) 0.5947(3) 0.1955(3) 0.0224(6) Uani 1 1 d .
H22 H 0.9199 0.6691 0.1749 0.027 Uiso 1 1 d R
C23 C 1.0736(4) 0.5526(4) 0.1559(3) 0.0262(7) Uani 1 1 d .
H23 H 1.1142 0.6013 0.1153 0.031 Uiso 1 1 d R
C24 C 1.1284(4) 0.4378(3) 0.1770(3) 0.0223(6) Uani 1 1 d .
H24 H 1.1989 0.4054 0.1463 0.027 Uiso 1 1 d R
C25 C 1.0688(4) 0.3654(3) 0.2396(3) 0.0209(6) Uani 1 1 d .
H25 H 1.1013 0.2921 0.2511 0.025 Uiso 1 1 d R
C26 C 0.9527(3) 0.4077(3) 0.2813(2) 0.0161(5) Uani 1 1 d .
H26 H 0.9139 0.3571 0.3238 0.019 Uiso 1 1 d R
C31 C 0.8289(3) 0.7272(3) 0.4135(2) 0.0136(5) Uani 1 1 d .
C32 C 0.7338(3) 0.8144(3) 0.4414(2) 0.0163(5) Uani 1 1 d .
H32 H 0.6276 0.8085 0.4024 0.020 Uiso 1 1 d R
C33 C 0.7890(4) 0.9159(3) 0.5329(2) 0.0209(6) Uani 1 1 d .
H33 H 0.7272 0.9792 0.5497 0.025 Uiso 1 1 d R
C34 C 0.9405(4) 0.9320(3) 0.5939(2) 0.0220(6) Uani 1 1 d .
H34 H 0.9786 1.0010 0.6566 0.026 Uiso 1 1 d R
C35 C 1.0374(4) 0.8488(3) 0.5642(2) 0.0210(6) Uani 1 1 d .
H35 H 1.1283 0.8599 0.6004 0.025 Uiso 1 1 d R
C36 C 0.9826(3) 0.7452(3) 0.4742(2) 0.0171(5) Uani 1 1 d .
H36 H 1.0473 0.6869 0.4558 0.021 Uiso 1 1 d R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 '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'
S S 0.1246 0.1234 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Cl1 173.01(2) . . y
P1 Au1 Au2 106.473(18) . 2_665 ?
Cl1 Au1 Au2 80.122(18) . 2_665 ?
P1 Au1 Cl1 95.06(2) . 2_665 y
Cl1 Au1 Cl1 78.62(2) . 2_665 y
Au2 Au1 Cl1 130.940(12) 2_665 2_665 ?
P1 Au1 Au1 124.849(19) . 2_665 ?
Cl1 Au1 Au1 48.783(18) . 2_665 ?
Au2 Au1 Au1 114.565(6) 2_665 2_665 ?
Cl1 Au1 Au1 29.837(11) 2_665 2_665 ?
S1 Au2 Cl2 169.80(3) . . y
S1 Au2 Au1 104.87(2) . 2_665 ?
Cl2 Au2 Au1 85.172(19) . 2_665 ?
Au1 Cl1 Cl1 64.67(2) . 2_665 ?
C18 S1 Au2 107.14(10) . . ?
C31 P1 C21 106.67(13) . . ?
C31 P1 C11 103.82(12) . . ?
C21 P1 C11 105.92(12) . . ?
C31 P1 Au1 116.13(9) . . ?
C21 P1 Au1 110.59(9) . . ?
C11 P1 Au1 112.96(9) . . ?
C17 N12 N13 116.0(2) . . ?
C18 N13 N12 117.1(2) . . ?
C18 N13 H13A 119.2 . . ?
N12 N13 H13A 123.5 . . ?
C18 N14 C19 125.0(3) . . ?
C18 N14 H14A 111.2 . . ?
C19 N14 H14A 122.5 . . ?
C12 C11 C16 118.9(2) . . ?
C12 C11 P1 119.4(2) . . ?
C16 C11 P1 121.7(2) . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 118.7 . . ?
C14 C13 C12 119.9(3) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 120.6 . . ?
C13 C14 C15 120.0(3) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 H14 119.2 . . ?
C14 C15 C16 121.1(3) . . ?
C14 C15 H15 117.8 . . ?
C16 C15 H15 121.1 . . ?
C15 C16 C11 119.1(2) . . ?
C15 C16 C17 119.0(2) . . ?
C11 C16 C17 121.9(2) . . ?
N12 C17 C16 118.7(2) . . ?
N12 C17 H17 131.0 . . ?
C16 C17 H17 110.3 . . ?
N14 C18 N13 118.6(3) . . ?
N14 C18 S1 119.7(2) . . ?
N13 C18 S1 121.7(2) . . ?
N14 C19 H19A 111.1 . . ?
N14 C19 H19B 112.1 . . ?
H19A C19 H19B 106.5 . . ?
N14 C19 H19C 108.9 . . ?
H19A C19 H19C 109.0 . . ?
H19B C19 H19C 109.1 . . ?
C26 C21 C22 119.7(3) . . ?
C26 C21 P1 122.5(2) . . ?
C22 C21 P1 117.8(2) . . ?
C23 C22 C21 120.0(3) . . ?
C23 C22 H22 116.8 . . ?
C21 C22 H22 123.1 . . ?
C22 C23 C24 120.4(3) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C25 120.1(3) . . ?
C23 C24 H24 120.8 . . ?
C25 C24 H24 119.0 . . ?
C24 C25 C26 120.2(3) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 119.8 . . ?
C21 C26 C25 119.7(3) . . ?
C21 C26 H26 121.5 . . ?
C25 C26 H26 118.8 . . ?
C32 C31 C36 119.9(3) . . ?
C32 C31 P1 117.7(2) . . ?
C36 C31 P1 122.0(2) . . ?
C31 C32 C33 120.1(3) . . ?
C31 C32 H32 124.1 . . ?
C33 C32 H32 115.8 . . ?
C34 C33 C32 119.8(3) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 120.4 . . ?
C35 C34 C33 120.4(3) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 120.4(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.8 . . ?
C35 C36 C31 119.4(3) . . ?
C35 C36 H36 120.2 . . ?
C31 C36 H36 120.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2341(7) . y
Au1 Cl1 2.3172(7) . y
Au1 Au2 3.0492(3) 2_665 y
Au1 Cl1 3.5034(7) 2_665 y
Au1 Au1 4.5659(4) 2_665 y
Au2 S1 2.2659(8) . y
Au2 Cl2 2.3020(8) . y
Au2 Au1 3.0492(3) 2_665 y
Cl1 Cl1 3.8000(14) 2_665 y
S1 C18 1.724(3) . ?
P1 C31 1.810(3) . ?
P1 C21 1.816(3) . ?
P1 C11 1.828(3) . ?
N12 C17 1.288(3) . ?
N12 N13 1.374(3) . ?
N13 C18 1.349(4) . ?
N13 H13A 0.8252 . ?
N14 C18 1.315(4) . ?
N14 C19 1.454(4) . ?
N14 H14A 0.7616 . ?
C11 C12 1.407(4) . ?
C11 C16 1.411(4) . ?
C12 C13 1.389(4) . ?
C12 H12 0.8476 . ?
C13 C14 1.385(4) . ?
C13 H13 0.9649 . ?
C14 C15 1.387(4) . ?
C14 H14 0.8805 . ?
C15 C16 1.401(4) . ?
C15 H15 0.8365 . ?
C16 C17 1.465(4) . ?
C17 H17 0.9779 . ?
C19 H19A 0.9701 . ?
C19 H19B 0.9623 . ?
C19 H19C 0.8432 . ?
C21 C26 1.390(4) . ?
C21 C22 1.401(4) . ?
C22 C23 1.379(5) . ?
C22 H22 0.9318 . ?
C23 C24 1.382(5) . ?
C23 H23 0.9188 . ?
C24 C25 1.385(4) . ?
C24 H24 0.9093 . ?
C25 C26 1.394(4) . ?
C25 H25 0.8662 . ?
C26 H26 0.9415 . ?
C31 C32 1.387(4) . ?
C31 C36 1.399(4) . ?
C32 C33 1.395(4) . ?
C32 H32 0.9624 . ?
C33 C34 1.384(5) . ?
C33 H33 0.9436 . ?
C34 C35 1.380(5) . ?
C34 H34 0.9527 . ?
C35 C36 1.393(4) . ?
C35 H35 0.8286 . ?
C36 H36 0.9341 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N13 H13A Cl1 0.83 2.55 3.325(3) 158.0 2_665
N14 H14A N12 0.76 2.18 2.606(3) 115.7 .
N14 H14A Cl2 0.76 2.83 3.393(3) 132.9 2_655
C17 H17 Cl1 0.98 2.77 3.547(3) 136.5 2_665
C23 H23 Cl1 0.92 2.83 3.586(3) 140.7 1_655
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Au1 Cl1 Cl1 -25.5(2) . . 2_665 ?
Au2 Au1 Cl1 Cl1 135.522(18) 2_665 . 2_665 ?
Au1 Au1 Cl1 Cl1 0.0 2_665 . 2_665 ?
Cl2 Au2 S1 C18 115.74(17) . . . ?
Au1 Au2 S1 C18 -74.48(10) 2_665 . . ?
Cl1 Au1 P1 C31 171.7(2) . . . ?
Au2 Au1 P1 C31 11.24(10) 2_665 . . ?
Cl1 Au1 P1 C31 146.65(10) 2_665 . . ?
Au1 Au1 P1 C31 148.47(10) 2_665 . . ?
Cl1 Au1 P1 C21 50.0(2) . . . ?
Au2 Au1 P1 C21 -110.47(9) 2_665 . . ?
Cl1 Au1 P1 C21 24.94(9) 2_665 . . ?
Au1 Au1 P1 C21 26.77(10) 2_665 . . ?
Cl1 Au1 P1 C11 -68.5(2) . . . ?
Au2 Au1 P1 C11 131.02(9) 2_665 . . ?
Cl1 Au1 P1 C11 -93.57(10) 2_665 . . ?
Au1 Au1 P1 C11 -91.74(10) 2_665 . . ?
C17 N12 N13 C18 177.9(3) . . . ?
C31 P1 C11 C12 -4.0(3) . . . ?
C21 P1 C11 C12 108.2(2) . . . ?
Au1 P1 C11 C12 -130.6(2) . . . ?
C31 P1 C11 C16 174.3(2) . . . ?
C21 P1 C11 C16 -73.5(2) . . . ?
Au1 P1 C11 C16 47.7(2) . . . ?
C16 C11 C12 C13 3.1(4) . . . ?
P1 C11 C12 C13 -178.6(2) . . . ?
C11 C12 C13 C14 -0.2(4) . . . ?
C12 C13 C14 C15 -2.6(4) . . . ?
C13 C14 C15 C16 2.5(5) . . . ?
C14 C15 C16 C11 0.5(4) . . . ?
C14 C15 C16 C17 177.3(3) . . . ?
C12 C11 C16 C15 -3.2(4) . . . ?
P1 C11 C16 C15 178.5(2) . . . ?
C12 C11 C16 C17 -179.9(3) . . . ?
P1 C11 C16 C17 1.8(4) . . . ?
N13 N12 C17 C16 -178.6(2) . . . ?
C15 C16 C17 N12 22.2(4) . . . ?
C11 C16 C17 N12 -161.1(3) . . . ?
C19 N14 C18 N13 -174.7(3) . . . ?
C19 N14 C18 S1 6.5(4) . . . ?
N12 N13 C18 N14 -2.8(4) . . . ?
N12 N13 C18 S1 176.0(2) . . . ?
Au2 S1 C18 N14 -157.3(2) . . . ?
Au2 S1 C18 N13 23.9(3) . . . ?
C31 P1 C21 C26 106.4(2) . . . ?
C11 P1 C21 C26 -3.8(3) . . . ?
Au1 P1 C21 C26 -126.5(2) . . . ?
C31 P1 C21 C22 -75.6(3) . . . ?
C11 P1 C21 C22 174.3(2) . . . ?
Au1 P1 C21 C22 51.6(2) . . . ?
C26 C21 C22 C23 -0.9(5) . . . ?
P1 C21 C22 C23 -179.0(3) . . . ?
C21 C22 C23 C24 1.4(5) . . . ?
C22 C23 C24 C25 -1.1(5) . . . ?
C23 C24 C25 C26 0.3(5) . . . ?
C22 C21 C26 C25 0.0(4) . . . ?
P1 C21 C26 C25 178.1(2) . . . ?
C24 C25 C26 C21 0.2(4) . . . ?
C21 P1 C31 C32 160.7(2) . . . ?
C11 P1 C31 C32 -87.7(2) . . . ?
Au1 P1 C31 C32 36.9(2) . . . ?
C21 P1 C31 C36 -26.3(3) . . . ?
C11 P1 C31 C36 85.3(2) . . . ?
Au1 P1 C31 C36 -150.1(2) . . . ?
C36 C31 C32 C33 -3.2(4) . . . ?
P1 C31 C32 C33 169.9(2) . . . ?
C31 C32 C33 C34 2.1(4) . . . ?
C32 C33 C34 C35 0.5(5) . . . ?
C33 C34 C35 C36 -1.9(5) . . . ?
C34 C35 C36 C31 0.7(4) . . . ?
C32 C31 C36 C35 1.8(4) . . . ?
P1 C31 C36 C35 -171.0(2) . . . ?
Cl1 Au1 Au2 Cl2 81.53(3) . 2_665 2_665 y
Cl1 Au1 Au2 S1 -100.28(3) . 2_665 2_665 y
P1 Au1 Au2 Cl2 -100.84(3) . 2_665 2_665 y
P1 Au1 Au2 S1 77.35(3) . 2_665 2_665 y
