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Crystal structure of the organic metal (ET)2[Hg(SCN)2Cl] withT M-D=50 K

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The composition and structure of the radical-ion salt (ET) 2 [Hg(SCN) 2 Cl], a new organic metal withT M-D=50 K, were established in an x-ray structure investigation. Principal crystallographic data:a=36.69(1),b=8.302(8),c=11.732(8) Å, β=90.02(6)°, space groupCc, Z=4,d calc=2.08 g/cm3,R=0.067. The crystal structure of the salt consists of an alternation of organic (cationic) and inorganic (anionic) layers along the axisa. The anionic layer consists of the polymeric chains

in which the [Hg(SCN) 2 Cl] ions are linked together along the axisc through secondary Hg···N bonds with lengths of 2.75(3) and 2.98(8) Å. On account of these interactions the trigonal configuration of the bonds of the Hg atom is built up to trigonal-bipyramidal. In the organic layer with a structure of the κ type the ET cations form dimers with an interplanar distance of 3.53 Å. ET cations belonging to neighboring dimers are linked together through shortened intermolecular S...S contacts with lengths of 3.40–3.50(2) Å.

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Additional information

Institute of Chemical Physics, Russian Academy of Sciences, Chernogolovka 142432. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 4, pp. 903–909, April, 1992.

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Konovalikhin, S.V., Shilov, G.V., D'yachenko, O.A. et al. Crystal structure of the organic metal (ET)2[Hg(SCN)2Cl] withT M-D=50 K. Russ Chem Bull 41, 704–709 (1992).

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  • organic metals
  • bis(ethylenedithio)tetrathiafulvalene (ET)
  • crystal structure