Preparation, X-ray crystal structures and properties of α-(BEDT-TTF)2[Feiii(phen)(NCS)4]·2CH2Cl2and (BEDT-TTF)[Criii(isoq)2(NCS)4] (phen = 1,10-phenanthroline; isoq = isoquinoline)

Abstract

This paper reports the preparation, X-ray crystal structure, conducting and magnetic properties of α-(BEDT-TTF)₂[Fe^III(phen)(NCS)₄] (1) [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene, phen = 1,10-phenanthroline] together with the crystal structure of (BEDT-TTF)[Cr^III(isoq)₂(NCS)₄] (2) (isoq = isoquinoline) for which the physical properties have been reported previously. Compound 1 crystallizes in the triclinic space group P (no. 2), a = 12.1528(1), b = 16.8269(3), c = 27.0703(4) Å, α = 95.726(1), β = 95.834(1), γ = 108.080(1)°, Z = 4, R = 0.0610 for 9764 reflections with I > 2σ(I); 2 crystallizes in the monoclinic space group P2₁/c (no. 14), a =10.623(5), b = 14.656(8), c = 12.701(7) Å, β = 100.19(2)°, Z = 2, R = 0.0737 for 2747 reflections with I > 2σ(I). The magnetic and transport properties have shown that compound 1 is a paramagnetic semiconductor with σ_{300 K} = 2.2 × 10⁻² Ω⁻¹ cm⁻¹.