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X\u2010ray diffraction, SQUID, and calorimetric experiments all showed two first\u2010order phase transitions with hysteresis loops, a narrow one at <jats:italic>T<\/jats:italic><jats:sub>1<\/jats:sub>\u223c196 K and a broad, triangular one covering the range 153&lt;<jats:italic>T<\/jats:italic><jats:sub>2<\/jats:sub>&lt;166 K. Crystal structures were analysed at fourteen temperatures in a cooling cycle and at seven temperatures in a heating cycle. They reveal a complex, temperature\u2010dependent ordering behaviour of both the complex cations and the alcohol molecules. A phenomenological model accounting for spin conversion, solvent ordering and coupling between the two processes describes the observed phase transitions and ordering phenomena reasonably well. Similarities and differences in the behaviour of the corresponding ethanol solvate with the same crystal architecture are discussed. It is concluded that spin\u2010crossover behaviour depends as much on molecular properties as it does on intermolecular interactions, both of the spin active and the spin inactive components.<\/jats:p>","DOI":"10.1002\/chem.200600547","type":"journal-article","created":{"date-parts":[[2006,7,14]],"date-time":"2006-07-14T07:25:03Z","timestamp":1152861903000},"page":"6207-6215","source":"Crossref","is-referenced-by-count":84,"title":["Interplay of Spin Conversion and Structural Phase Transformations: Re\u2010Entrant Phase Transitions in the 2\u2010Propanol Solvate of Tris(2\u2010picolylamine)iron(II) Dichloride"],"prefix":"10.1002","volume":"12","author":[{"given":"Karl W.","family":"T\u00f6rnroos","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marc","family":"Hostettler","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dmitry","family":"Chernyshov","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Brita","family":"Vangdal","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hans\u2010Beat","family":"B\u00fcrgi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2006,8,3]]},"reference":[{"key":"e_1_2_6_1_2","first-page":"271","volume-title":"Magnetism: Molecules to Materials IV","author":"G\u00fctlich P.","year":"2002"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.279.5347.44"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.crci.2003.08.011"},{"key":"e_1_2_6_4_2","first-page":"889","volume":"15","author":"Bolvin H.","year":"1991","journal-title":"New J. 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