#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/23/4062341.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_4062341
loop_
_publ_author_name
'H. Schmidbaur'
'B. Djordjevic'
'K. A. Porter'
'A. Schier'
'S. Nogai'
_publ_section_title
;
Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of
2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C39 H36 As2 Au2 O4 S2'
_chemical_formula_weight         1176.57
_chemical_name_common            '[(Ph3As)Au)]2C(SO2Me)2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.8365(7)
_cell_angle_beta                 99.8222(9)
_cell_angle_gamma                114.5907(8)
_cell_formula_units_Z            2
_cell_length_a                   11.6199(2)
_cell_length_b                   11.8709(2)
_cell_length_c                   16.6124(3)
_cell_measurement_temperature    143(2)
_cell_volume                     1926.19(6)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    2.029
_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 
;
_cod_database_code               4062341
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
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.11521(14) 0.44964(14) 0.12255(9) 0.0358(3) Uani 1 1 d . . .
C1 C 0.2347(5) 0.5388(5) 0.2242(3) 0.0234(10) Uani 1 1 d . . .
Au1 Au 0.415489(18) 0.550702(18) 0.214612(12) 0.02351(7) Uani 1 1 d . . .
As1 As 0.61654(5) 0.55161(5) 0.20523(3) 0.02327(12) Uani 1 1 d . . .
S2 S 0.19079(14) 0.49062(13) 0.31051(9) 0.0315(3) Uani 1 1 d . . .
As2 As 0.38557(5) 0.97060(5) 0.29225(3) 0.02769(12) Uani 1 1 d . . .
C2 C -0.0101(6) 0.4974(8) 0.1233(5) 0.0531(18) Uani 1 1 d . . .
H2A H -0.0925 0.4291 0.0777 0.080 Uiso 1 1 calc R . .
H2B H 0.0183 0.5810 0.1124 0.080 Uiso 1 1 calc R . .
H2C H -0.0256 0.5086 0.1802 0.080 Uiso 1 1 calc R . .
Au2 Au 0.304552(19) 0.741332(18) 0.258433(12) 0.02527(7) Uani 1 1 d . . .
C3 C 0.1890(8) 0.3389(6) 0.3007(5) 0.0510(17) Uani 1 1 d . . .
H3A H 0.1587 0.3084 0.3469 0.076 Uiso 1 1 calc R . .
H3B H 0.2789 0.3504 0.3061 0.076 Uiso 1 1 calc R . .
H3C H 0.1286 0.2733 0.2438 0.076 Uiso 1 1 calc R . .
O11 O 0.1763(4) 0.4923(5) 0.0591(3) 0.0501(11) Uani 1 1 d . . .
C11 C 0.5868(5) 0.3981(5) 0.1140(3) 0.0260(11) Uani 1 1 d . . .
O12 O 0.0548(5) 0.3099(4) 0.1089(3) 0.0603(13) Uani 1 1 d . . .
C12 C 0.6538(6) 0.3275(5) 0.1263(4) 0.0326(12) Uani 1 1 d . . .
H12A H 0.7183 0.3561 0.1806 0.039 Uiso 1 1 calc R . .
C13 C 0.6274(6) 0.2154(6) 0.0599(4) 0.0385(13) Uani 1 1 d . . .
H13A H 0.6742 0.1678 0.0683 0.046 Uiso 1 1 calc R . .
C14 C 0.5314(7) 0.1735(6) -0.0193(4) 0.0429(15) Uani 1 1 d . . .
H14A H 0.5122 0.0961 -0.0647 0.051 Uiso 1 1 calc R . .
C15 C 0.4651(6) 0.2418(6) -0.0323(4) 0.0425(14) Uani 1 1 d . . .
H15A H 0.4017 0.2133 -0.0871 0.051 Uiso 1 1 calc R . .
C16 C 0.4896(6) 0.3535(6) 0.0344(4) 0.0334(12) Uani 1 1 d . . .
H16A H 0.4408 0.3992 0.0259 0.040 Uiso 1 1 calc R . .
O21 O 0.2943(5) 0.5863(4) 0.3895(2) 0.0464(11) Uani 1 1 d . . .
C21 C 0.7494(5) 0.6994(5) 0.1862(3) 0.0255(10) Uani 1 1 d . . .
O22 O 0.0571(4) 0.4665(4) 0.3065(3) 0.0460(11) Uani 1 1 d . . .
C22 C 0.8057(5) 0.6803(5) 0.1201(3) 0.0261(11) Uani 1 1 d . . .
H22A H 0.7803 0.5937 0.0834 0.031 Uiso 1 1 calc R . .
C23 C 0.9000(5) 0.7902(6) 0.1087(4) 0.0334(12) Uani 1 1 d . . .
H23A H 0.9390 0.7783 0.0637 0.040 Uiso 1 1 calc R . .
C24 C 0.9369(6) 0.9144(6) 0.1612(4) 0.0397(14) Uani 1 1 d . . .
H24A H 1.0020 0.9882 0.1528 0.048 Uiso 1 1 calc R . .
C25 C 0.8802(6) 0.9349(6) 0.2274(4) 0.0404(14) Uani 1 1 d . . .
H25A H 0.9062 1.0219 0.2637 0.049 Uiso 1 1 calc R . .
C26 C 0.7859(6) 0.8267(6) 0.2393(4) 0.0350(12) Uani 1 1 d . . .
H26A H 0.7459 0.8392 0.2837 0.042 Uiso 1 1 calc R . .
C31 C 0.7100(6) 0.5438(5) 0.3097(3) 0.0290(11) Uani 1 1 d . . .
C32 C 0.8456(6) 0.5893(6) 0.3340(4) 0.0344(13) Uani 1 1 d . . .
H32A H 0.8971 0.6283 0.2999 0.041 Uiso 1 1 calc R . .
C33 C 0.9060(7) 0.5773(6) 0.4092(4) 0.0414(14) Uani 1 1 d . . .
H33A H 0.9990 0.6073 0.4262 0.050 Uiso 1 1 calc R . .
C34 C 0.8317(7) 0.5223(6) 0.4587(4) 0.0412(15) Uani 1 1 d . . .
H34A H 0.8739 0.5146 0.5098 0.049 Uiso 1 1 calc R . .
C35 C 0.6989(7) 0.4788(6) 0.4359(4) 0.0395(14) Uani 1 1 d . . .
H35A H 0.6491 0.4417 0.4713 0.047 Uiso 1 1 calc R . .
C36 C 0.6351(6) 0.4883(5) 0.3609(3) 0.0318(12) Uani 1 1 d . . .
H36A H 0.5419 0.4574 0.3447 0.038 Uiso 1 1 calc R . .
C41 C 0.3194(5) 1.0132(5) 0.1952(3) 0.0272(11) Uani 1 1 d . . .
C42 C 0.3373(6) 1.1408(5) 0.2075(4) 0.0332(12) Uani 1 1 d . . .
H42A H 0.3855 1.2079 0.2631 0.040 Uiso 1 1 calc R . .
C43 C 0.2855(6) 1.1690(6) 0.1394(4) 0.0410(14) Uani 1 1 d . . .
H43A H 0.2981 1.2559 0.1479 0.049 Uiso 1 1 calc R . .
C44 C 0.2156(6) 1.0726(6) 0.0588(4) 0.0414(14) Uani 1 1 d . . .
H44A H 0.1799 1.0930 0.0119 0.050 Uiso 1 1 calc R . .
C45 C 0.1967(6) 0.9455(6) 0.0457(4) 0.0407(14) Uani 1 1 d . . .
H45A H 0.1472 0.8784 -0.0098 0.049 Uiso 1 1 calc R . .
C46 C 0.2509(5) 0.9173(5) 0.1148(4) 0.0323(12) Uani 1 1 d . . .
H46A H 0.2403 0.8310 0.1061 0.039 Uiso 1 1 calc R . .
C51 C 0.3331(6) 1.0550(5) 0.3837(4) 0.0322(12) Uani 1 1 d . . .
C52 C 0.1970(6) 1.0042(6) 0.3715(4) 0.0411(14) Uani 1 1 d . . .
H52A H 0.1353 0.9295 0.3217 0.049 Uiso 1 1 calc R . .
C53 C 0.1513(7) 1.0627(7) 0.4319(4) 0.0473(15) Uani 1 1 d . . .
H53A H 0.0587 1.0292 0.4235 0.057 Uiso 1 1 calc R . .
C54 C 0.2432(7) 1.1710(6) 0.5051(4) 0.0482(16) Uani 1 1 d . . .
H54A H 0.2129 1.2113 0.5470 0.058 Uiso 1 1 calc R . .
C55 C 0.3770(7) 1.2202(6) 0.5173(4) 0.0458(15) Uani 1 1 d . . .
H55A H 0.4389 1.2943 0.5674 0.055 Uiso 1 1 calc R . .
C56 C 0.4219(6) 1.1617(5) 0.4566(4) 0.0374(13) Uani 1 1 d . . .
H56A H 0.5147 1.1957 0.4654 0.045 Uiso 1 1 calc R . .
C61 C 0.5772(6) 1.0715(5) 0.3269(4) 0.0324(12) Uani 1 1 d . . .
C62 C 0.6429(6) 1.1490(5) 0.2831(4) 0.0344(12) Uani 1 1 d . . .
H62A H 0.5933 1.1563 0.2347 0.041 Uiso 1 1 calc R . .
C63 C 0.7795(6) 1.2163(6) 0.3083(4) 0.0401(14) Uani 1 1 d . . .
H63A H 0.8242 1.2698 0.2777 0.048 Uiso 1 1 calc R . .
C64 C 0.8507(6) 1.2051(6) 0.3785(4) 0.0438(15) Uani 1 1 d . . .
H64A H 0.9451 1.2531 0.3970 0.053 Uiso 1 1 calc R . .
C65 C 0.7892(7) 1.1278(8) 0.4213(5) 0.0543(18) Uani 1 1 d . . .
H65A H 0.8400 1.1198 0.4687 0.065 Uiso 1 1 calc R . .
C66 C 0.6498(7) 1.0585(7) 0.3960(5) 0.0497(16) Uani 1 1 d . . .
H66A H 0.6058 1.0034 0.4260 0.060 Uiso 1 1 calc R . .
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
S1 O11 1.443(5) . ?
S1 O12 1.446(5) . ?
S1 C1 1.738(5) . ?
S1 C2 1.770(6) . ?
C1 S2 1.745(5) . ?
C1 Au2 2.080(5) . ?
C1 Au1 2.082(5) . ?
Au1 As1 2.3636(5) . ?
Au1 Au2 3.0451(3) . ?
As1 C11 1.927(5) . ?
As1 C31 1.928(5) . ?
As1 C21 1.934(5) . ?
S2 O21 1.439(4) . ?
S2 O22 1.444(4) . ?
S2 C3 1.761(6) . ?
As2 C41 1.933(5) . ?
As2 C61 1.933(6) . ?
As2 C51 1.944(5) . ?
As2 Au2 2.3590(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C11 C12 1.385(7) . ?
C11 C16 1.401(7) . ?
C12 C13 1.387(8) . ?
C12 H12A 0.9500 . ?
C13 C14 1.395(9) . ?
C13 H13A 0.9500 . ?
C14 C15 1.359(9) . ?
C14 H14A 0.9500 . ?
C15 C16 1.393(8) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C21 C22 1.390(7) . ?
C21 C26 1.395(8) . ?
C22 C23 1.393(7) . ?
C22 H22A 0.9500 . ?
C23 C24 1.360(8) . ?
C23 H23A 0.9500 . ?
C24 C25 1.397(9) . ?
C24 H24A 0.9500 . ?
C25 C26 1.384(8) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C31 C32 1.382(8) . ?
C31 C36 1.400(7) . ?
C32 C33 1.394(8) . ?
C32 H32A 0.9500 . ?
C33 C34 1.370(9) . ?
C33 H33A 0.9500 . ?
C34 C35 1.355(9) . ?
C34 H34A 0.9500 . ?
C35 C36 1.390(8) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C41 C46 1.367(8) . ?
C41 C42 1.398(7) . ?
C42 C43 1.368(8) . ?
C42 H42A 0.9500 . ?
C43 C44 1.372(9) . ?
C43 H43A 0.9500 . ?
C44 C45 1.386(9) . ?
C44 H44A 0.9500 . ?
C45 C46 1.393(8) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C51 C56 1.375(8) . ?
C51 C52 1.395(8) . ?
C52 C53 1.387(9) . ?
C52 H52A 0.9500 . ?
C53 C54 1.392(9) . ?
C53 H53A 0.9500 . ?
C54 C55 1.371(10) . ?
C54 H54A 0.9500 . ?
C55 C56 1.384(8) . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
C61 C62 1.372(8) . ?
C61 C66 1.385(8) . ?
C62 C63 1.375(8) . ?
C62 H62A 0.9500 . ?
C63 C64 1.378(9) . ?
C63 H63A 0.9500 . ?
C64 C65 1.341(9) . ?
C64 H64A 0.9500 . ?
C65 C66 1.403(9) . ?
C65 H65A 0.9500 . ?
C66 H66A 0.9500 . ?
