A fourth polymorph in the family of BEDT-TTF salts with thiocyanatocuprate(I) anions: (BEDT-TTF)4Cu3(NCS)5

• Published in: physica status solidi (b) Vol. 249; no. 5; pp. 933 - 936
• Main Authors: Schlueter, John A., Geiser, Urs, Wang, Hau H., Manson, Jamie L.
• Format: Journal Article
• Language: English
• Published: Berlin WILEY-VCH Verlag 01-05-2012; WILEY‐VCH Verlag
• Subjects: BEDT-TTF; copper(I) thiocyanate; polymorphism; X-ray crystal structure
• ISSN: 0370-1972; 1521-3951
• DOI: 10.1002/pssb.201100726

A new crystallographic modification was found in the family of BEDT‐TTF salts containing thiocyanatocuprate(I) anions. The cation radical salt crystallizes in the P${\bar {1}}$ space group with a = 8.2720(9) Å, b = 19.099(2) Å, c = 43.758(5) Å, α = 81.088(4)°, β = 87.253(4)°, γ = 83.790(4)°, V = 6786.2(13) Å3 at 150 K. The BEDT‐TTF radical cations pack in an α‐type motif, but every four columns, there is a slip in the layer. Where this slip occurs, the stacks are coupled in a β″ manner. The material exhibits semiconductive behavior with an activation energy of 0.13 eV above 250 K and 0.22 eV below.
Packing motif of the (BEDT‐TTF)4Cu3(NCS)5 structure.