An X-ray powder diffraction study of the spin-crossover transition and structure of bis(2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate

Victoria A Money; Ivana Radosavljevic Evans; Jerome Elhaïk; Malcolm A Halcrow; Judith A K Howard

doi:10.1107/S0108768103027897

An X-ray powder diffraction study of the spin-crossover transition and structure of bis(2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate

Acta Crystallogr B. 2004 Feb;60(Pt 1):41-5. doi: 10.1107/S0108768103027897. Epub 2004 Jan 21.

Authors

Victoria A Money¹, Ivana Radosavljevic Evans, Jerome Elhaïk, Malcolm A Halcrow, Judith A K Howard

Affiliation

¹ Chemistry Department, Durham University, South Road, Durham DH1 3LE, UK.

PMID: 14734843
DOI: 10.1107/S0108768103027897

Abstract

The crystal structure of the iron(II) spin-crossover compound [Fe(C(10)H(8)N(6))(2)](ClO(4))(2) in the high-spin state has been solved from powder X-ray diffraction data using the DASH program and refined using Rietveld refinement. The thermal spin transition has been monitored by following the change in unit-cell parameters with temperature. The title compound has been found to undergo a crystallographic phase change, involving a doubling of the crystallographic a axis, on undergoing the spin transition.