Crystallographic constants for the title compound are as follows: Mr = 384.5 + 204.3, triclinic, PĪ, a = 6.878 (2), b = 10.309 (4), c = 11.159 (7) Å, α = 109.94 (4), β = 100.91 (4), γ = 105.64 (3)°, Z = 1, V = 680.8 Å3, Dc = 1.46 g cm−3, Dm= 1.40 g cm−3 (flotation, aqueous KI), λ(MoKα) = 0.71069 Å, μ = 3.27 cm−1, F(000) = 304, RF = 0.085 for 1948 data with |F0| > 2.5 σ(F0). The complex crystallizes in mixed stacks of alternating donors and acceptors with a maximum of intrastack overlap and a minimum of interstack interactions. The degree of charge transfer is shown by a number of criteria to be essentially zero, in stark contrast to the complex of TTF with unsubstituted TCNQ. Comparison is made with the relatively few other complexes of derivatives of TTF and TCNQ which form mixed stack complexes.
ASJC Scopus subject areas
- Chemistry (all)