Abstract
The structure of the crystalline β’ modification of a radical cation salt of bis(ethylenedithio)tetrathiafulvalene with mixed dihalogen iodide (BEDT-TTF)2Br0.12Cl1.88I (I) was investigated by single crystal X-ray diffraction. Triclinic structure of I (space group $$P\bar 1$$ , a = 6.638 A, b = 9.779 A, c = 12.920 A; α = 87.24°, β = 79.10°, γ = 81.37°) was solved by direct methods and refined in a full-matrix anisotropic approximation to R = 0.030 using all 3897 measured independent reflections (CAD-4 automatic diffractometer, λMoK α). In the crystal structure of I the mixed Cl*-I-Cl* anion occupies the inversion center i(000), its terminal atom having a composition Cl* = Cl0.94Br0.06. The semi-radical cation (C10H8S8)1/2+ has one of two ethylene groups disordered.
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