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#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/14/2001483.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_2001483
loop_
_publ_author_name
'Swaminathan, K.'
'Carroll, P. J.'
Kochurani
'Singh, H. B.'
'Bhargava, H. D.'
_publ_section_title
;
 Structure of trimethyltelluronium
 bis(4,5-dimercapto-1,3-dithiole-2-thionato)aurate(III)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1243
_journal_page_last               1246
_journal_paper_doi               10.1107/S0108270193002999
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C6 Au1 S10,C3 H9 Te1'
_chemical_formula_sum            'C9 H9 Au S10 Te'
_chemical_formula_weight         762.38
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.370(10)
_cell_angle_beta                 91.05(2)
_cell_angle_gamma                94.220(10)
_cell_formula_units_Z            4
_cell_length_a                   9.8780(10)
_cell_length_b                   12.3260(10)
_cell_length_c                   16.512(3)
_cell_volume                     1957.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    9.986
_exptl_crystal_density_diffrn    2.587
_exptl_crystal_density_meas      2.591
_exptl_crystal_F_000             1416
_cod_data_source_file            cr1020.cif
_cod_data_source_block           cr1020_structure_1_of_1
_cod_original_cell_volume        1957.2
_cod_original_formula_sum        'C9 H9 Au1 S10 Te1'
_cod_database_code               2001483
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Au(1) .07962(6) .24612(4) .14622(3)
S(11) -.0516(4) .1463(3) .0323(2)
S(21) -.2633(5) .2269(3) -.0711(3)
S(31) -.4179(6) .3987(4) -.1265(3)
S(41) -.2208(5) .4549(3) .0169(3)
S(51) -.0072(4) .4114(3) .1341(3)
S(61) .1711(4) .0818(3) .1567(3)
S(71) .3843(4) .0423(3) .2761(2)
S(81) .5769(5) .0996(3) .4212(3)
S(91) .4164(4) .2690(3) .3661(2)
S(101) .2101(5) .3458(3) .2598(3)
C(11) -.143(2) .2540(10) .0113(8)
C(21) -.307(2) .3600(10) -.0670(10)
C(31) -.1210(10) .3630(10) .0518(8)
C(41) .283(2) .1320(10) .2402(9)
C(51) .466(2) .1370(10) .3604(8)
C(61) .298(2) .2390(10) .2820(10)
Te(1) .22350(10) .71859(7) .41442(7)
C(71) .120(2) .6210(10) .3060(10)
C(81) .351(2) .5930(10) .4320(10)
C(91) .365(2) .7970(10) .3470(10)
Au(2) .22754(5) .42695(4) .61551(3)
S(12) .0835(4) .3815(3) .4986(2)
S(22) .0069(4) .1572(3) .3848(2)
S(32) .0220(5) -.0873(3) .3249(3)
S(42) .1839(4) .0414(3) .4708(3)
S(52) .2854(4) .2453(3) .5964(3)
S(62) .1714(4) .6096(3) .6349(2)
S(72) .2623(4) .8082(3) .7674(2)
S(82) .4199(5) .9328(3) .9165(3)
S(92) .4396(4) .6904(3) .8513(2)
S(102) .3691(4) .4695(3) .7333(2)
C(12) .1000(10) .2383(9) .4715(8)
C(22) .0680(10) .0310(10) .3894(9)
C(32) .1830(10) .1830(10) .5100(8)
C(42) .2690(10) .6670(10) .7232(8)
C(52) .3770(10) .8150(10) .8516(9)
C(62) .3500(10) .6110(10) .7638(8)
Te(2) .19340(10) .12406(7) .87547(6)
C(72) .104(2) .2710(10) .8570(10)
C(82) .332(2) .1260(10) .7810(10)
C(92) .326(2) .2120(10) .9710(10)
H(71A) .0535 .6634 .2861
H(71B) .1818 .5996 .2632
H(71C) .0737 .5559 .3179
H(81A) .3047 .5443 .4621
H(81B) .3730 .5494 .3790
H(81C) .4321 .6254 .4612
H(91A) .4268 .8477 .3846
H(91B) .4149 .7426 .3130
H(91C) .3191 .8369 .3132
H(72A) .0329 .2890 .8953
H(72B) .1706 .3330 .8660
H(72C) .0663 .2598 .8020
H(82A) .2924 .0884 .7285
H(82B) .3604 .2010 .7781
H(82C) .4113 .0899 .7915
H(92A) .3805 .1626 .9916
H(92B) .3828 .2659 .9519
H(92C) .2753 .2505 1.0161
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
S(11) Au(1) S(51) 91.80(10)
S(11) Au(1) S(61) 88.40(10)
S(11) Au(1) S(101) 180.0000
S(51) Au(1) S(61) 178.6(2)
S(51) Au(1) S(101) 88.10(10)
S(61) Au(1) S(101) 91.7(2)
Au(1) S(11) C(11) 99.0(5)
C(11) S(21) C(21) 99.2(8)
C(21) S(41) C(31) 98.6(7)
Au(1) S(51) C(31) 100.0(4)
Au(1) S(61) C(41) 99.4(6)
C(41) S(71) C(51) 98.9(8)
C(51) S(91) C(61) 98.5(8)
Au(1) S(101) C(61) 99.0(6)
S(11) C(11) S(21) 119.8(7)
S(11) C(11) C(31) 124.3(11)
S(21) C(11) C(31) 115.6(11)
S(21) C(21) S(31) 126.9(10)
S(21) C(21) S(41) 111.0(9)
S(31) C(21) S(41) 121.8(10)
S(41) C(31) S(51) 120.0(7)
S(41) C(31) C(11) 115.5(10)
S(51) C(31) C(11) 124.7(10)
S(61) C(41) S(71) 119.9(7)
S(61) C(41) C(61) 124.5(13)
S(71) C(41) C(61) 115.5(12)
S(71) C(51) S(81) 122.2(9)
S(71) C(51) S(91) 111.1(9)
S(12) Au(2) S(52) 91.20(10)
S(12) Au(2) S(62) 89.10(10)
S(12) Au(2) S(102) 178.90(10)
S(52) Au(2) S(62) 179.50(10)
S(52) Au(2) S(102) 88.10(10)
S(62) Au(2) S(102) 91.50(10)
Au(2) S(12) C(12) 99.3(4)
C(12) S(22) C(22) 97.3(6)
C(22) S(42) C(32) 97.8(6)
Au(2) S(52) C(32) 100.5(4)
Au(2) S(62) C(42) 99.4(4)
C(42) S(72) C(52) 97.4(6)
C(52) S(92) C(62) 98.7(6)
Au(2) S(102) C(62) 99.6(4)
S(12) C(12) S(22) 119.5(8)
S(12) C(12) C(32) 125.2(9)
S(22) C(12) C(32) 115.4(9)
S(22) C(22) S(32) 124.6(8)
S(22) C(22) S(42) 112.7(7)
S(32) C(22) S(42) 122.5(8)
S(42) C(32) S(52) 119.3(8)
S(42) C(32) C(12) 116.9(9)
S(52) C(32) C(12) 123.7(9)
S(62) C(42) S(72) 118.8(8)
S(62) C(42) C(62) 125.4(10)
S(72) C(42) C(62) 115.7(9)
S(72) C(52) S(82) 121.1(8)
S(72) C(52) S(92) 112.2(7)
S(81) C(51) S(91) 126.7(8)
S(91) C(61) S(101) 118.8(8)
S(91) C(61) C(41) 115.9(9)
S(101) C(61) C(41) 124.0(9)
C(71) Te(1) C(81) 95.3(6)
C(71) Te(1) C(91) 93.8(6)
C(81) Te(1) C(91) 95.1(6)
S(82) C(52) S(92) 126.5(9)
S(92) C(62) S(102) 120.3(8)
S(92) C(62) C(42) 115.7(9)
S(102) C(62) C(42) 124.0(9)
C(72) Te(2) C(82) 93.6(6)
C(72) Te(2) C(92) 93.7(6)
C(82) Te(2) C(92) 95.3(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Au(1) S(11) 2.327(4)
Au(1) S(51) 2.313(4)
Au(1) S(61) 2.316(4)
Au(1) S(101) 2.319(5)
S(11) C(11) 1.749(16)
S(21) C(11) 1.750(17)
S(21) C(21) 1.715(14)
S(31) C(21) 1.622(18)
S(41) C(21) 1.769(17)
S(41) C(31) 1.735(13)
S(51) C(31) 1.722(13)
S(61) C(41) 1.727(17)
S(71) C(41) 1.731(16)
S(71) C(51) 1.754(15)
S(81) C(51) 1.629(17)
S(91) C(51) 1.717(14)
S(91) C(61) 1.758(18)
S(101) C(61) 1.728(16)
C(11) C(31) 1.366(18)
C(41) C(61) 1.347(19)
Te(1) C(71) 2.128(16)
Te(1) C(81) 2.129(16)
Te(1) C(91) 2.109(17)
Au(2) S(12) 2.320(4)
Au(2) S(52) 2.309(4)
Au(2) S(62) 2.315(4)
Au(2) S(102) 2.317(4)
S(12) C(12) 1.746(12)
S(22) C(12) 1.760(13)
S(22) C(22) 1.725(13)
S(32) C(22) 1.639(14)
S(42) C(22) 1.727(14)
S(42) C(32) 1.727(13)
S(52) C(32) 1.735(13)
S(62) C(42) 1.721(13)
S(72) C(42) 1.744(13)
S(72) C(52) 1.761(13)
S(82) C(52) 1.632(14)
S(92) C(52) 1.696(13)
S(92) C(62) 1.746(13)
S(102) C(62) 1.734(13)
C(12) C(32) 1.338(16)
C(42) C(62) 1.351(17)
Te(2) C(72) 2.148(15)
Te(2) C(82) 2.097(18)
Te(2) C(92) 2.088(17)
