Data to Support The Impact of Whole-Molecule Disorder on Spin-Crossover in a Family of Isomorphous Molecular Crystals

Seven iron(II) complex salts, of 2,6-di(pyrazol-1-yl)pyridines bearing a substituent at one pyrazolyl C4 position, are isomorphous but show a variety of spincrossover behaviours. Crystal structures show disorder of the two ligand substituents around the four pyrazolyl groups in the molecules, which can lead to resolvable wholemolecule disorder as shown. Unusual discontinuities in the more abrupt spin-transitions may arise from heterogeneous lattice sites within the cooperative SCO material.