The double-stack structure of 
di(3,4-ethylenedithio-3',4'-dimethyl-2,2',5,5'-tetrathiafulvalenium) 
perchlorate, (DIMET)2ClO4

Endres, H.; Heid, R.; Keller, H. J.; Heinen, I.; Schweitzer, D.

doi:10.1107/S010827018709680X

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The double-stack structure of di(3,4-ethylenedithio-3',4'-dimethyl-2,2',5,5'-tetrathiafulvalenium) perchlorate, (DIMET)2ClO4

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Heinen, I.
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;

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Schweitzer, D.
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;

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http://journals.iucr.org/c/issues/1987/01/00/a26749/a26749.pdf
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Citation

Endres, H., Heid, R., Keller, H. J., Heinen, I., & Schweitzer, D. (1987). The double-stack structure of di(3,4-ethylenedithio-3',4'-dimethyl-2,2',5,5'-tetrathiafulvalenium) perchlorate, (DIMET)2ClO4. Acta Crystallographica, Section C: Crystal Structure Communications, 43(1), 115-117. doi:10.1107/S010827018709680X.

Cite as: https://hdl.handle.net/21.11116/0000-0008-1731-7

Abstract

2C10H10S1/2+.C104, Mr = 744·62, triclinic, P1, a = 7·000 (2), b = 7·824 (3), c = 27·010 (14) Å, α = 88·10 (4), β = 89·02 (4) γ = 74·58 (3)°, V = 1425 Å3, Z = 2, D x = l·73gcm -3, λ(MoKα) = 0·7107 Å, μ = 10·1 cm -l, F(000)= 762, room temperature, final R = 0·063 for 3076 observed independent reflections. Two crystallographically independent DIMET molecules each with an average charge of
½+ form stacks, which run nearly perpendicularly to one another. Within each stack, two different interplanar spacings between adjacent parallel molecules are found. These overlap patterns are similar to those found in tetrahydrofuran solvate. The stacks are arranged side by side perpendicular to the long molecular axis to give a sheet-like arrangement.