Anion, solvent and time dependence of high-spin-low-spin interactions in a 3d coordination polymer

Abstract

A thorough investigation into the role of the counterion and occluded solvent on the structure and spin-crossover behaviour of the threefold interpenetrated network [Fe(4ditz)3]2+ [4ditz = 1,4-bis(tetrazol-1-yl)butane] is presented. As seen by X-ray single crystal diffraction, changing the hexafluorophosphate anion in the previously investigated trigonal11 phase [Fe(4ditz)3](PF6) 2 to tetrafluoroborate causes the butylene spacers to adopt three different conformations, whereupon the symmetry is reduced to triclinic (space group P1̄). X-ray powder diffraction and NMR spectroscopy provide evidence for the incorporation of statistically distributed ethanol molecules in the cavities of the compo..