Crystal structure and electrical property of (BEDT-TTF)5[Pt(SCN)4]

Abstract

Abstract The crystals of (BEDT-TTF)5[Pt(SCN)4] (BEDT-TTF:4,5:4′,5′-bis (ethylenedithio)-tetrathiafulvalene), C54H40 · N4PtS44, belong to the monoclinic space group P21/c, with the lattice constants of a = 18.166(4) Å, b = 11.437(2) Å, c = 21.040(7) Å, β = 111.17(2)°, V = 4076.3(16) Å3 and Z = 2. The structure is refined to R = 0.061 for 6441 independent reflections. The crystal structure consists of the donor layers and the anion layers alternating along the a axis. BEDT-TTF molecules are stacked face to face along the c axis to form a pentamer. In the anion layer, [Pt(SCN)4]2− anions lay parallel to the bc plane and four SCN ligands coordinate to one Pt atom at sulfur atoms with Pt–S–CN bond angles of about 110°. This salt exhibits semiconducting behavior with the activation energy value of about 0.18 eV in the temperature dependence of the resistivity.