Crystal structures of bis(terpyridyl)cobalt(II) thiocyanate dihydrate: An X-ray-induced phase transition?

Colin L. Raston, Allan H. White

Research output: Contribution to journalArticlepeer-review

28 Citations (Scopus)

Abstract

The crystal structures of two phases (I) and (II) of the title compound have been determined by X-ray diffraction and refined by least squares to R 0.12 (I) and 0.064 (II) for 1 136 and 660 observed reflections. Crystals of both forms are triclinic, Z = 2, space group P1; (I) a = 20.821 (4), b = 9.119 (2), c = 8.700(2) Å, α = 91.41(2), β = 91.48(2), γ = 101.69(2)°: (II) a = 20.71(1), b = 9.036(5), c = 8.746(3) Å, α = 91.11(4), β = 91.19(4), γ = 104.29(5)°. Phase (II) with unit cell volume 30 Å 3 less than for (I) appears to be produdced by X-ray-stimulated phase transition, which is accompained within the lattice by an ordering of one of the thiocyanate groups. The compound is a 'crossover' derivative and the central Co-N distances are longer (1.98 and 1.95 Å) than in the corresponding pseudo-isostructural bromide (1.89 Å) in which the proportion of the low-spin component is higher.

Original languageEnglish
Pages (from-to)7-12
Number of pages6
JournalJournal of the Chemical Society, Dalton Transactions
Issue number1
DOIs
Publication statusPublished - 1976
Externally publishedYes

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