Abstract
The asymmetric unit of the title salt, (C10H8S8)[Re2Br6(CH3COO)]·0.5C2H3Cl3, contains one bis-(ethyl-enedi-thio)-tetra-thia-fulvalene (ET) radical cation, one μ2-acetato-bis-[tri-bromido-rhenate(III)] anion and a 1,1,2-tri-chloro-ethane mol-ecule with half-occupancy disordered about a twofold rotation axis. The tetra-thia-fulvalene fragment adopts an almost planar configuration typical of the ET radical cation. The C atoms of both ethyl-enedi-thio fragments in the cation are disordered over two orientations with occupancy factors 0.65:0.35 and 0.77:0.23. In the anion, six Br atoms and a μ2-acetate ligand form a strongly distorted cubic O2Br6 coordination polyhedron around the Re2 dinuclear centre. In the crystal, centrosymmetrically related ET cations and Re2O2Br6 anions are linked into dimers by π-π stacking inter-actions [centroid-to-centroid distance = 3.826 (8) Å] and by pairs of additional Re⋯Br contacts [3.131 (3) Å], respectively. The dimers are further packed into a three-dimensional network by non-directional inter-ionic electrostatic forces and by C-H⋯Br and C-H⋯S hydrogen bonds. The disordered 1,1,2-tri-chloro-ethane mol-ecules occupy solvent-accessible channels along the b axis.
Highlights
2-acetato-bis[tribromidorhenate(III)] anion and a 1,1,2-trichloroethane molecule with half-occupancy disordered about a twofold rotation axis
We present the synthesis and crystal structure of a new radical cation salt of ET with the dirhenium(III)
The C—S and C—C bonds of the disordered fragments of the ET cation were restrained
Summary
In the past few decades, molecular low-dimensional conducting materials have attracted much interest owing to their physical properties, in particular their electrical, magnetic and spectroscopic properties. The packing of radical cations in the crystal and the properties of radical cation salts depend substantially on the type of anions involved (Mori et al, 1999; Mori, 1999). One radical cation salt containing a rhenium–rhenium quadruple bond has been described so far {(ET)2[Re2Cl8] [ET = bis(ethylenedithio)tetrathiafulvalene]; Reinheimer et al, 2008}. In this context, we present the synthesis and crystal structure of a new radical cation salt of ET with the dirhenium(III). Symmetry codes: (i) x; y 12; z 12; (ii) x; y 1; z; (iii) x þ 12; y 1; z
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