#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:19:12 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179837 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/33/7013372.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_7013372
loop_
_publ_author_name
'Elena Barreiro'
'José S. Casas'
'María D. Couce'
'Agustín Sánchez'
'José Sordo'
'José M. Varela'
'Ezequiel M. Vázquez-López'
_publ_section_title
;
 Au--O Interactions and others in triphenylphosphinegold(I)
 sulfanylpropenoates with diverse structures
;
_journal_issue                   24
_journal_name_full               'Dalton Trans.'
_journal_page_first              4754
_journal_page_last               4761
_journal_paper_doi               10.1039/b307192h
_journal_year                    2003
_chemical_formula_sum            'C25 H20 Au O3 P S'
_chemical_formula_weight         628.41
_chemical_name_common
;mu-3-(2-furyl)-2-sulfanylpropenoate-kappaS)-
triphenylphosphine-kappaP-gold(i)
;
_chemical_name_systematic
;
mu-3-(2-furyl)-2-sulfanylpropenoate-kappaS}-triphenylphosphine-
kappaP-gold(I)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.373(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.2143(16)
_cell_length_b                   27.397(4)
_cell_length_c                   15.353(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4715.7(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.883
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0944
_diffrn_reflns_av_sigmaI/netI    0.3150
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24394
_diffrn_reflns_theta_full        28.02
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    6.419
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.745207
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2432
_exptl_crystal_size_max          .18
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .09
_refine_diff_density_max         1.490
_refine_diff_density_min         -0.895
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.791
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         10287
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.791
_refine_ls_R_factor_all          0.2698
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0189P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.1083
_reflns_number_gt                3190
_reflns_number_total             10287
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b307192h.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0189P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0189P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4715.6(12)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7013372
loop_
_symmetry_equiv_pos_as_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_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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.67635(5) 0.62395(2) 0.87221(4) 0.0583(2) Uani 1 d . . .
S1 S 0.5077(3) 0.60372(13) 0.9467(3) 0.0713(12) Uani 1 d . . .
O11 O 0.5795(10) 0.7095(4) 0.9727(7) 0.096(4) Uani 1 d . . .
H11 H 0.6118 0.7365 0.9820 0.03(4) Uiso 1 d . . .
O12 O 0.5965(10) 0.7082(4) 1.1139(7) 0.087(4) Uani 1 d . . .
C11 C 0.5704(13) 0.6869(5) 1.0444(11) 0.054(4) Uani 1 d . . .
C12 C 0.5157(10) 0.6389(5) 1.0408(8) 0.042(3) Uani 1 d . . .
C13 C 0.4638(10) 0.6256(5) 1.1157(8) 0.056(4) Uani 1 d . . .
H13 H 0.4758 0.6466 1.1627 0.067 Uiso 1 calc R . .
C14 C 0.3941(13) 0.5841(5) 1.1313(10) 0.052(4) Uani 1 d . . .
C15 C 0.3625(12) 0.5421(5) 1.0898(9) 0.055(4) Uani 1 d . . .
H15 H 0.3859 0.5330 1.0344 0.066 Uiso 1 calc R . .
C16 C 0.2893(15) 0.5147(5) 1.1437(13) 0.080(6) Uani 1 d . . .
H16 H 0.2523 0.4851 1.1308 0.096 Uiso 1 calc R . .
C17 C 0.2841(16) 0.5398(7) 1.2165(13) 0.093(6) Uani 1 d . . .
H17 H 0.2428 0.5292 1.2648 0.111 Uiso 1 calc R . .
O13 O 0.3445(9) 0.5824(4) 1.2144(7) 0.078(3) Uani 1 d . . .
P1 P 0.8369(3) 0.64202(12) 0.7927(2) 0.0533(11) Uani 1 d . . .
C111 C 0.8622(15) 0.5968(5) 0.7112(9) 0.060(4) Uani 1 d . . .
C112 C 0.7673(15) 0.5726(5) 0.6715(10) 0.069(5) Uani 1 d . . .
H112 H 0.6898 0.5805 0.6867 0.083 Uiso 1 calc R . .
C113 C 0.7860(18) 0.5371(5) 0.6096(10) 0.080(6) Uani 1 d . . .
H113 H 0.7208 0.5204 0.5859 0.096 Uiso 1 calc R . .
C114 C 0.894(2) 0.5262(6) 0.5830(12) 0.098(7) Uani 1 d . . .
H114 H 0.9040 0.5025 0.5405 0.118 Uiso 1 calc R . .
C115 C 0.9909(17) 0.5494(6) 0.6171(13) 0.103(7) Uani 1 d . . .
H115 H 1.0672 0.5419 0.5985 0.124 Uiso 1 calc R . .
C116 C 0.9732(15) 0.5849(6) 0.6813(11) 0.103(7) Uani 1 d . . .
H116 H 1.0394 0.6011 0.7048 0.124 Uiso 1 calc R . .
C121 C 0.8161(12) 0.6982(5) 0.7375(11) 0.061(4) Uani 1 d . . .
C122 C 0.8193(13) 0.7036(6) 0.6494(13) 0.081(5) Uani 1 d . . .
H122 H 0.8400 0.6769 0.6156 0.097 Uiso 1 calc R . .
C123 C 0.7924(17) 0.7480(9) 0.6078(13) 0.105(7) Uani 1 d . . .
H123 H 0.7934 0.7513 0.5475 0.126 Uiso 1 calc R . .
C124 C 0.7647(16) 0.7860(7) 0.6609(18) 0.104(8) Uani 1 d . . .
H124 H 0.7471 0.8159 0.6350 0.125 Uiso 1 calc R . .
C125 C 0.7611(14) 0.7832(7) 0.7484(14) 0.088(7) Uani 1 d . . .
H125 H 0.7417 0.8101 0.7822 0.105 Uiso 1 calc R . .
C126 C 0.7877(12) 0.7379(6) 0.7859(11) 0.068(5) Uani 1 d . . .
H126 H 0.7860 0.7348 0.8462 0.082 Uiso 1 calc R . .
C131 C 0.9766(13) 0.6462(5) 0.8532(9) 0.054(4) Uani 1 d . . .
C132 C 1.0676(17) 0.6760(6) 0.8254(11) 0.084(5) Uani 1 d . . .
H132 H 1.0555 0.6967 0.7781 0.100 Uiso 1 calc R . .
C133 C 1.1768(17) 0.6746(8) 0.8692(15) 0.112(8) Uani 1 d . . .
H133 H 1.2411 0.6922 0.8486 0.135 Uiso 1 calc R . .
C134 C 1.1891(18) 0.6471(8) 0.9424(14) 0.106(8) Uani 1 d . . .
H134 H 1.2627 0.6464 0.9716 0.127 Uiso 1 calc R . .
C135 C 1.0975(19) 0.6204(7) 0.9747(11) 0.096(6) Uani 1 d . . .
H135 H 1.1070 0.6032 1.0266 0.115 Uiso 1 calc R . .
C136 C 0.9932(14) 0.6196(6) 0.9297(12) 0.080(5) Uani 1 d . . .
H136 H 0.9307 0.6008 0.9502 0.096 Uiso 1 calc R . .
Au2 Au 0.56331(5) 0.88193(2) 0.87909(4) 0.0603(2) Uani 1 d . . .
S2 S 0.7352(3) 0.90344(13) 0.9570(3) 0.0721(12) Uani 1 d . . .
O21 O 0.6674(9) 0.7986(5) 1.1193(7) 0.084(3) Uani 1 d . . .
H21 H 0.6404 0.7709 1.1095 0.07(6) Uiso 1 d . . .
O22 O 0.6695(10) 0.7970(3) 0.9784(7) 0.098(4) Uani 1 d . . .
C21 C 0.6881(13) 0.8198(6) 1.0471(10) 0.051(4) Uani 1 d . . .
C22 C 0.7354(11) 0.8681(4) 1.0501(9) 0.050(4) Uani 1 d . . .
C23 C 0.7888(12) 0.8823(5) 1.1273(10) 0.071(4) Uani 1 d . . .
H23 H 0.7875 0.8595 1.1720 0.086 Uiso 1 calc R . .
C24 C 0.8466(14) 0.9281(7) 1.1484(12) 0.071(5) Uani 1 d . . .
C25 C 0.8762(16) 0.9681(7) 1.1032(12) 0.098(7) Uani 1 d . . .
H25 H 0.8593 0.9746 1.0448 0.118 Uiso 1 calc R . .
C26 C 0.9371(19) 0.9977(8) 1.1622(18) 0.122(8) Uani 1 d . . .
H26 H 0.9697 1.0279 1.1493 0.147 Uiso 1 calc R . .
C27 C 0.942(2) 0.9767(9) 1.2392(17) 0.135(9) Uani 1 d . . .
H27 H 0.9763 0.9899 1.2897 0.162 Uiso 1 calc R . .
O23 O 0.8887(10) 0.9328(5) 1.2318(8) 0.110(4) Uani 1 d . . .
P2 P 0.4037(3) 0.86395(12) 0.7926(2) 0.0531(10) Uani 1 d . . .
C211 C 0.2674(12) 0.8542(5) 0.8478(10) 0.056(4) Uani 1 d . . .
C212 C 0.1851(16) 0.8230(6) 0.8154(11) 0.094(6) Uani 1 d . . .
H212 H 0.2032 0.8043 0.7669 0.113 Uiso 1 calc R . .
C213 C 0.0721(19) 0.8178(8) 0.8527(14) 0.111(7) Uani 1 d . . .
H213 H 0.0157 0.7965 0.8288 0.133 Uiso 1 calc R . .
C214 C 0.0489(16) 0.8437(8) 0.9215(16) 0.098(7) Uani 1 d . . .
H214 H -0.0252 0.8401 0.9467 0.117 Uiso 1 calc R . .
C215 C 0.128(2) 0.8759(8) 0.9581(11) 0.124(7) Uani 1 d . . .
H215 H 0.1085 0.8938 1.0070 0.148 Uiso 1 calc R . .
C216 C 0.2397(14) 0.8812(6) 0.9210(11) 0.087(5) Uani 1 d . . .
H216 H 0.2952 0.9029 0.9452 0.105 Uiso 1 calc R . .
C221 C 0.3711(13) 0.9120(5) 0.7160(9) 0.053(4) Uani 1 d . . .
C222 C 0.2667(13) 0.9141(6) 0.6635(12) 0.085(5) Uani 1 d . . .
H222 H 0.2100 0.8895 0.6663 0.101 Uiso 1 calc R . .
C223 C 0.2494(15) 0.9525(7) 0.6088(11) 0.105(7) Uani 1 d . . .
H223 H 0.1778 0.9540 0.5770 0.126 Uiso 1 calc R . .
C224 C 0.327(2) 0.9876(7) 0.5980(13) 0.131(8) Uani 1 d . . .
H224 H 0.3133 1.0133 0.5595 0.157 Uiso 1 calc R . .
C225 C 0.432(2) 0.9840(8) 0.6477(17) 0.185(12) Uani 1 d . . .
H225 H 0.4900 1.0080 0.6421 0.221 Uiso 1 calc R . .
C226 C 0.4529(19) 0.9467(7) 0.7041(13) 0.160(10) Uani 1 d . . .
H226 H 0.5252 0.9453 0.7350 0.192 Uiso 1 calc R . .
C231 C 0.4289(11) 0.8093(5) 0.7330(11) 0.054(4) Uani 1 d . . .
C232 C 0.4292(12) 0.8068(6) 0.6435(12) 0.077(5) Uani 1 d . . .
H232 H 0.4123 0.8347 0.6111 0.092 Uiso 1 calc R . .
C233 C 0.4549(15) 0.7623(8) 0.5992(11) 0.088(6) Uani 1 d . . .
H233 H 0.4562 0.7609 0.5387 0.105 Uiso 1 calc R . .
C234 C 0.4778(14) 0.7214(7) 0.6501(16) 0.088(6) Uani 1 d . . .
H234 H 0.4948 0.6918 0.6232 0.105 Uiso 1 calc R . .
C235 C 0.4759(13) 0.7237(7) 0.7386(14) 0.086(6) Uani 1 d . . .
H235 H 0.4911 0.6961 0.7723 0.104 Uiso 1 calc R . .
C236 C 0.4513(12) 0.7672(6) 0.7770(10) 0.065(5) Uani 1 d . . .
H236 H 0.4497 0.7682 0.8375 0.078 Uiso 1 calc R . .
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'
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'
Au Au -2.0133 8.8022 '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 S1 176.89(14) . . ?
P1 Au1 O11 114.1(2) . . ?
S1 Au1 O11 67.9(2) . . ?
C12 S1 Au1 104.7(4) . . ?
C11 O11 Au1 95.9(9) . . ?
O12 C11 O11 119.5(15) . . ?
O12 C11 C12 123.3(14) . . ?
O11 C11 C12 116.8(16) . . ?
C13 C12 C11 113.7(13) . . ?
C13 C12 S1 123.0(11) . . ?
C11 C12 S1 123.2(10) . . ?
C12 C13 C14 128.1(14) . . ?
C15 C14 O13 107.1(13) . . ?
C15 C14 C13 138.3(15) . . ?
O13 C14 C13 114.6(14) . . ?
C14 C15 C16 109.1(14) . . ?
C17 C16 C15 105.1(15) . . ?
C16 C17 O13 113.5(16) . . ?
C17 O13 C14 105.1(12) . . ?
C121 P1 C111 106.8(7) . . ?
C121 P1 C131 107.1(7) . . ?
C111 P1 C131 104.7(7) . . ?
C121 P1 Au1 110.6(5) . . ?
C111 P1 Au1 111.6(5) . . ?
C131 P1 Au1 115.4(5) . . ?
C116 C111 C112 115.7(14) . . ?
C116 C111 P1 123.8(13) . . ?
C112 C111 P1 120.5(13) . . ?
C113 C112 C111 120.9(16) . . ?
C114 C113 C112 121.7(18) . . ?
C113 C114 C115 120.6(18) . . ?
C114 C115 C116 118.2(17) . . ?
C111 C116 C115 122.9(16) . . ?
C126 C121 C122 117.8(15) . . ?
C126 C121 P1 117.7(13) . . ?
C122 C121 P1 124.4(13) . . ?
C121 C122 C123 122.5(17) . . ?
C124 C123 C122 116(2) . . ?
C125 C124 C123 125(2) . . ?
C124 C125 C126 116.7(17) . . ?
C121 C126 C125 122.5(16) . . ?
C132 C131 C136 119.1(15) . . ?
C132 C131 P1 121.1(13) . . ?
C136 C131 P1 119.8(13) . . ?
C131 C132 C133 119.0(18) . . ?
C134 C133 C132 119(2) . . ?
C133 C134 C135 122(2) . . ?
C136 C135 C134 118(2) . . ?
C135 C136 C131 121.4(17) . . ?
P2 Au2 S2 174.83(14) . . ?
P2 Au2 O22 115.3(2) . . ?
S2 Au2 O22 67.8(2) . . ?
C22 S2 Au2 105.6(5) . . ?
C21 O22 Au2 95.6(9) . . ?
O22 C21 O21 118.6(15) . . ?
O22 C21 C22 123.4(15) . . ?
O21 C21 C22 118.0(15) . . ?
C23 C22 C21 116.5(13) . . ?
C23 C22 S2 123.3(11) . . ?
C21 C22 S2 120.0(11) . . ?
C22 C23 C24 128.6(15) . . ?
C25 C24 O23 108.9(16) . . ?
C25 C24 C23 135.0(19) . . ?
O23 C24 C23 116.0(18) . . ?
C24 C25 C26 105.3(19) . . ?
C27 C26 C25 110(2) . . ?
C26 C27 O23 108(2) . . ?
C27 O23 C24 107.9(16) . . ?
C231 P2 C211 105.5(7) . . ?
C231 P2 C221 108.1(7) . . ?
C211 P2 C221 104.9(7) . . ?
C231 P2 Au2 110.6(5) . . ?
C211 P2 Au2 115.4(5) . . ?
C221 P2 Au2 111.8(5) . . ?
C212 C211 C216 118.3(15) . . ?
C212 C211 P2 120.4(14) . . ?
C216 C211 P2 121.1(12) . . ?
C211 C212 C213 122.0(17) . . ?
C214 C213 C212 118(2) . . ?
C213 C214 C215 123(2) . . ?
C214 C215 C216 118.9(18) . . ?
C211 C216 C215 119.7(16) . . ?
C226 C221 C222 117.1(15) . . ?
C226 C221 P2 118.7(13) . . ?
C222 C221 P2 124.0(12) . . ?
C223 C222 C221 119.5(15) . . ?
C224 C223 C222 124.0(19) . . ?
C223 C224 C225 115.8(19) . . ?
C226 C225 C224 122.3(19) . . ?
C221 C226 C225 121.0(19) . . ?
C236 C231 C232 116.7(15) . . ?
C236 C231 P2 119.2(13) . . ?
C232 C231 P2 124.1(14) . . ?
C231 C232 C233 121.6(16) . . ?
C234 C233 C232 117.3(17) . . ?
C235 C234 C233 121.1(19) . . ?
C236 C235 C234 118.8(18) . . ?
C231 C236 C235 124.5(16) . . ?
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 2.255(3) . ?
Au1 S1 2.301(3) . ?
Au1 O11 3.022(10) . ?
S1 C12 1.738(12) . ?
O11 C11 1.270(14) . ?
O12 C11 1.244(16) . ?
C11 C12 1.451(17) . ?
C12 C13 1.351(14) . ?
C13 C14 1.404(16) . ?
C14 C15 1.358(16) . ?
C14 O13 1.404(15) . ?
C15 C16 1.398(17) . ?
C16 C17 1.315(19) . ?
C17 O13 1.351(17) . ?
P1 C121 1.769(15) . ?
P1 C111 1.789(14) . ?
P1 C131 1.806(14) . ?
C111 C116 1.376(17) . ?
C111 C112 1.382(17) . ?
C112 C113 1.379(17) . ?
C113 C114 1.326(19) . ?
C114 C115 1.35(2) . ?
C115 C116 1.404(18) . ?
C121 C126 1.360(16) . ?
C121 C122 1.361(18) . ?
C122 C123 1.40(2) . ?
C123 C124 1.36(2) . ?
C124 C125 1.35(2) . ?
C125 C126 1.40(2) . ?
C131 C132 1.382(17) . ?
C131 C136 1.391(18) . ?
C132 C133 1.38(2) . ?
C133 C134 1.36(2) . ?
C134 C135 1.36(2) . ?
C135 C136 1.345(19) . ?
Au2 P2 2.258(4) . ?
Au2 S2 2.320(4) . ?
Au2 O22 3.011(10) . ?
S2 C22 1.726(13) . ?
O21 C21 1.279(14) . ?
O22 C21 1.239(14) . ?
C21 C22 1.427(17) . ?
C22 C23 1.371(16) . ?
C23 C24 1.445(19) . ?
C24 C25 1.343(19) . ?
C24 O23 1.360(17) . ?
C25 C26 1.38(2) . ?
C26 C27 1.31(2) . ?
C27 O23 1.35(2) . ?
P2 C231 1.780(14) . ?
P2 C211 1.785(14) . ?
P2 C221 1.797(14) . ?
C211 C212 1.345(18) . ?
C211 C216 1.387(17) . ?
C212 C213 1.41(2) . ?
C213 C214 1.30(2) . ?
C214 C215 1.36(2) . ?
C215 C216 1.39(2) . ?
C221 C226 1.338(18) . ?
C221 C222 1.406(18) . ?
C222 C223 1.356(17) . ?
C223 C224 1.313(19) . ?
C224 C225 1.39(2) . ?
C225 C226 1.36(2) . ?
C231 C236 1.357(16) . ?
C231 C232 1.376(18) . ?
C232 C233 1.427(18) . ?
C233 C234 1.39(2) . ?
C234 C235 1.36(2) . ?
C235 C236 1.360(18) . ?
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
O11 H11 O22 0.84 1.78 2.603(14) 168 .
O21 H21 O12 0.83 1.79 2.601(15) 166 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 S1 Au1 P1 -176(29) . . . . ?
C23 S2 Au2 P2 -175.5(14) . . . . ?
O12 C11 C12 S1 -166.0(12) . . . . ?
O22 C21 C22 S2 16.1(19) . . . . ?
