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DOI: 10.1039/A708481A (Paper) Reference Section for: J. Mater. Chem., 1998, 8, 1373-1378

Synthesis, structure and physical properties of a new organic metal, (BEDO-TTF)4[C4N6]H2O

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Brian H. Ward, Garrett E. Granroth, James B. Walden, Khalil A. Abboud, Mark W. Meisel, Paul G. Rasmussen and Daniel R. Talham

Abstract

A new organic metal based on the π-donor bis(ethylenedioxy)tetrathiafulvalene, (BEDO–TTF)4 [C4N6 ]H2O, has been isolated as the N,N′,N″-tricyanoguanidinate monohydrate salt. The crystal structure indicates strong two-dimensional (2D) behavior in the BEDO–TTF donor layer demonstrated by the close intermolecular C–H‥O, S‥S, and S‥O contacts. The N,N′,N″-tricyanoguanidinate dianions are puckered and form dimers through hydrogen bonding with two water molecules, resulting in an infinite sheet of dianions that complement the 2D nature of the BEDO–TTF donor layers. Four-probe resistance, tunnel diode oscillator, and EPR measurements indicate metallic behavior down to 8 K where a metal–semiconductor transition occurs. (BEDO–TTF)4 [C4N6 ]H2O crystallizes in the P[1 with combining macron] space group with a=11.9628(2), b=14.1016(2), c=17.0830(2) Å, α=81.27(1), β=70.21(1), γ=77.04(1)°, V=2633.39(7) Å3 , Z=2.

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