#------------------------------------------------------------------------------ #$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $ #$Revision: 25271 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000841.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_2000841 loop_ _publ_author_name 'Hong, M.' 'Huang, Z.' 'Lei, X.' 'Jiang, F.' 'Liu, H.' _publ_section_title ; Structure of bis(N,N-diethyldithiocarbamato)gold(III) hexafluoroantimonate ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1101 _journal_page_last 1102 _journal_volume 48 _journal_year 1992 _chemical_formula_moiety 'C10 H20 Au1 N2 S4,F6 Sb1' _chemical_formula_sum 'C10 H20 Au F6 N2 S4 Sb' _chemical_formula_weight 1458.55 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 100.370(10) _cell_angle_beta 105.92(5) _cell_angle_gamma 74.69(3) _cell_formula_units_Z 4 _cell_length_a 14.533(3) _cell_length_b 18.004(5) _cell_length_c 8.538(2) _cell_volume 2058.1(10) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 8.87 _exptl_crystal_density_diffrn 2.353 _exptl_crystal_F_000 1368 _[local]_cod_data_source_file as0529.cif _[local]_cod_data_source_block as0529a _[local]_cod_chemical_formula_sum_orig 'C10 H20 Au1 F6 N2 S4 Sb1' _cod_original_cell_volume 2058.06 _cod_database_code 2000841 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Au(1) .94780(5) .60835(4) .65278(9) Au(2) .35591(5) -.10628(4) .53398(8) Sb(1) .56350(10) .34575(8) .8224(2) Sb(2) .15720(10) .13515(9) 1.0282(2) S(1) 1.1055(4) .6304(3) .7275(6) S(2) .7873(4) .5928(3) .5806(6) S(3) .9869(4) .6066(3) .4050(6) S(4) .9109(4) .6105(3) .9015(6) S(5) .1858(4) -.0749(3) .4922(6) S(6) .3276(3) -.1498(3) .7533(6) S(7) .5258(3) -.1327(3) .5857(5) S(8) .3869(4) -.0656(3) .3133(6) F(21) .4980(10) .4080(10) .974(2) F(22) .665(2) .317(2) .977(2) F(23) .5100(10) .2710(10) .827(2) F(24) .6110(10) .4220(10) .803(2) F(25) .6300(10) .2818(9) .674(2) F(26) .463(2) .379(2) .661(3) F(31) .7560(10) -.1878(9) .831(2) F(32) .7420(10) -.0610(10) 1.032(2) F(33) .8320(10) -.0775(9) .803(2) F(34) .0540(10) .2063(9) .095(2) F(35) .8520(10) .8060(10) .133(2) F(36) .0680(10) .0820(10) .890(2) N(10) .1700(10) .6306(9) .460(2) N(20) .7210(10) .6086(9) .850(2) N(30) .1350(10) -.1208(8) .735(2) N(40) .5820(10) -.0966(8) .342(2) C(10) .9010(10) .3780(10) .480(2) C(11) .7370(10) .3510(10) .425(3) C(12) .658(2) .4250(10) .392(3) C(13) .162(2) .6190(10) .282(3) C(14) .120(2) .699(2) .211(3) C(20) .7930(10) .6050(10) .789(2) C(21) .6200(10) .6040(10) .748(2) C(22) .554(2) .684(2) .731(3) C(23) .730(2) .6250(10) 1.037(2) C(24) .762(2) .5460(10) 1.106(3) C(30) .2020(10) -.1160(10) .671(2) C(31) .1570(10) -.1630(10) .883(2) C(32) .159(2) -.1040(10) 1.036(3) C(33) .0300(10) -.0870(10) .658(2) C(34) -.016(2) -.148(2) .536(3) C(40) .5110(10) -.0970(10) .402(2) C(41) .5620(10) -.0660(10) .178(2) C(42) .559(2) -.1350(10) .040(2) C(43) .6860(10) -.1230(10) .430(2) C(44) .724(2) .7890(10) .400(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Au(1) S(1) 2.326(6) Au(1) S(2) 2.323(5) Au(1) S(3) 2.330(6) Au(1) S(4) 2.320(6) Au(2) S(5) 2.326(5) Au(2) S(6) 2.326(6) Au(2) S(7) 2.318(5) Au(2) S(8) 2.330(6) Sb(1) F(21) 1.852(6) Sb(1) F(22) 1.720(10) Sb(1) F(23) 1.738(9) Sb(1) F(24) 1.750(9) Sb(1) F(25) 1.856(6) Sb(1) F(26) 1.770(10) Sb(2) F(31) 1.825(6) Sb(2) F(32) 1.826(7) Sb(2) F(33) 1.870(7) Sb(2) F(34) 1.841(7) Sb(2) F(35) 1.843(7) Sb(2) F(36) 1.850(7) S(1) C(10) 1.73(2) S(2) C(20) 1.74(2) S(3) C(10) 1.72(2) S(4) C(20) 1.74(2) S(5) C(30) 1.75(2) S(6) C(30) 1.750(10) S(7) C(40) 1.74(2) S(8) C(40) 1.740(10) N(10) C(10) 1.32(3) N(10) C(11) 1.52(2) N(10) C(13) 1.47(3) N(20) C(20) 1.27(3) N(20) C(21) 1.50(2) N(20) C(23) 1.54(3) N(30) C(30) 1.27(3) N(30) C(31) 1.51(3) N(30) C(33) 1.49(2) N(40) C(40) 1.28(3) N(40) C(41) 1.51(3) N(40) C(43) 1.49(3) C(11) C(12) 1.52(3) C(13) C(14) 1.57(4) C(21) C(22) 1.52(3) C(23) C(24) 1.55(3) C(31) C(32) 1.52(3) C(33) C(34) 1.53(3) C(41) C(42) 1.55(3) C(43) C(44) 1.53320