1988
DOI: 10.1246/cl.1988.463
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Crystal Structures of Organic Superconductor, (BEDT-TTF)2Cu(NCS)2, at 298 K and 104 K

Abstract: The crystal structures of an organic superconductor (BEDT-TTF)2Cu(NCS)2 (Tc=10.4 K) at 298 K and 104 K are determined by X-ray analysis. The packing pattern of donors is nearly analogous to κ-(BEDT-TTF)2I3. The counter anion, Cu(NCS)2−, has no positional disorder and constructs a peculiar sheet where a copper ion is coordinated with a sulfur and two nitrogen atoms to form a one-dimensional polymer with a permanent dipole moment.

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Cited by 171 publications
(73 citation statements)
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“…3b, two Cat-EDT-TTF skeletons in the pink and blue molecular units come face-toface to form the dimeric structure. Each dimer is orthogonally arranged with the zigzag pattern, which is traditionally termed as the ''k-type'' molecular arrangement in the field of the BEDT-TTF-based molecular conductors [37][38][39] . In the present molecular arrangement, there exist the intra-and inter-dimer short atomic contacts of SyS B3.54 and 3.45-3.56 Å (SeySB3.59-3.64 and 3.50-3.66 Å), respectively, for j-S (j-Se), as shown in the dotted lines.…”
Section: Resultsmentioning
confidence: 99%
“…3b, two Cat-EDT-TTF skeletons in the pink and blue molecular units come face-toface to form the dimeric structure. Each dimer is orthogonally arranged with the zigzag pattern, which is traditionally termed as the ''k-type'' molecular arrangement in the field of the BEDT-TTF-based molecular conductors [37][38][39] . In the present molecular arrangement, there exist the intra-and inter-dimer short atomic contacts of SyS B3.54 and 3.45-3.56 Å (SeySB3.59-3.64 and 3.50-3.66 Å), respectively, for j-S (j-Se), as shown in the dotted lines.…”
Section: Resultsmentioning
confidence: 99%
“…The investigated single crystals of κ-(BEDT-TTF) 2 Cu(NCS) 2 and β″-(BEDT-TTF) 2 SF 5 CH 2 CF 2 SO 3 were prepared by standard electrochemical processes described elsewhere [26,27]. The specific heat was measured by use of a continuous relaxation technique as described in more detail in the Appendix of Ref.…”
Section: Methodsmentioning
confidence: 99%
“…The basic structural building blocks of these materials are large, elongated ET planar molecules stretching along the c-axis forming the conducting layer. 44 These thick conducting layers are separated by thin insulating spacers of planar NCS-molecules extending in the ab-plane. The NCS counter-ions take one charge per two ET-molecules leaving the ET HOMO partially unfilled.…”
Section: Layered Organic Superconductorsmentioning
confidence: 99%