ISSN:
1600-5740
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
From the pressure dependence of the lattice parameters measured by single-crystal X-ray diffraction at room temperature, the amplitudes and directions of the principal components of the isothermal compressibility tensor of κ-(BEDT-TTF)2Cu(NCS)2, bis(ethylenedithio)tetrathiafulvalene copper dithiocyanate, have been determined from 1 × 105 Pa to 12.9 × 105 kPa. The crystal structure has been determined at 1 × 105 Pa and 7.5 × 105 kPa. From the latter, the pressure dependence of the intermolecular electron-transfer integrals and the band structure have been calculated and compared with those at 1 × 105 Pa and 15 K.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108768195012122