Quantification of the thermodynamic effects of the low-spin – high-spin interaction in molecular crystals of a mononuclear iron( ii ) spin crossover complex.

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. These cause the main difference in the vibrational entropy of the spin transition for the vicinity of high- and low-spin molecules. Furthermore, a deformation of the coordination sphere of the central molecule is observed when the spins of the surrounding centres are switched. This deformation is accompanied by a change in the equatorial Fe-N bond lengths.