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

Abstract

2C10H10S6 1/2+.ClO-4 , M r= 744·62, triclinic, PI, α=7·000 (2), b =7·824 (3), c = 27·010 (14) A, α = 88· 10 (4), β= 89·02 (4), Y = 74· 58 (3)°, V = 1425 A 3, Z=2, Dx=1·73gcm-3, λ( MoKa) = 0·7107 A, μ= 10·1 cm-1, 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.