Zeitschrift für Kristallographie - Crystalline Materials
Editor-in-Chief: Pöttgen, Rainer
Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.
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Isostructural phase transition in the spin crossover compound [Fe(dpp)2(NCS)2] · py
The spin crossover complex [Fe(dpp)2(NCS)2] · py crystallises in the monoclinic P2/n space group with one guest pyridine molecule per iron complex and undergoes an isostructural phase transition near 100 K on cooling and around 155 K on heating. The space group does not change upon spin transition despite the occurrence of hysteresis with ca. 55 K width, which is clearly seen in the temperature dependence of the lattice parameters. These are highly anisotropic upon spin transition, and surprisingly the unit cell volume reduces only little (0.1%) upon spin transition from high spin to low spin phase. The differences between the high- and low-spin structures are discussed.
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