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SCO describes the phenomenon where transition metal ions switch between high spin (HS) and low spin (LS) states upon external stimuli. However, even simple guest molecules like water can significantly alter the properties of these materials. Understanding the interplay between SCO and these molecules is therefore crucial. This work investigates this interplay in a fascinating 3D Fe(II) SCO\u2010MOF, recently reported to exhibit reversible conductivity even in bulk. A combined experimental and computational approach is employed to explore how guest molecule uptake\/release influences SCO dynamics including a transition from partial HS\/LS to a fully LS state at high temperatures, (named reverse SCO) and ligand disorder\u2010order behavior. The findings reveal a solid\u2010state mechanism that differs from those previously described.<\/jats:p>","DOI":"10.1002\/smll.202411201","type":"journal-article","created":{"date-parts":[[2025,2,4]],"date-time":"2025-02-04T01:17:01Z","timestamp":1738631821000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Decoding Framework Dynamics in a Spin Crossover Flexible Metal\u2013Organic Framework"],"prefix":"10.1002","volume":"21","author":[{"given":"Ana","family":"Martinez\u2010Martinez","sequence":"first","affiliation":[{"name":"IMDEA Nanociencia  C\/ Faraday 9 Madrid 28049 Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jorge","family":"Albalad","sequence":"additional","affiliation":[{"name":"Catalan Institute of Nanoscience and Nanotechnology (ICN2) CSIC and The Barcelona Institute of Science and Technology  Campus UAB, Bellaterra Barcelona 08193 Spain"},{"name":"Departament de Qu\u00edmica, Facultat de Ci\u00e8ncies Universitat Aut\u00f2noma de Barcelona  Bellaterra Barcelona 08193 Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Esther","family":"Resines\u2010Urien","sequence":"additional","affiliation":[{"name":"IMDEA Nanociencia  C\/ Faraday 9 Madrid 28049 Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"E. 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Grenoble Alpes  Grenoble 38000 France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Oscar","family":"Fabelo","sequence":"additional","affiliation":[{"name":"Institut Laue\u2010Langevin  6 rue Jules Horowitz, BP 156 Grenoble Cedex 938042 France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jose Alberto","family":"Rodr\u00edguez\u2010Velamaz\u00e1n","sequence":"additional","affiliation":[{"name":"Institut Laue\u2010Langevin  6 rue Jules Horowitz, BP 156 Grenoble Cedex 938042 France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Roberta","family":"Poloni","sequence":"additional","affiliation":[{"name":"CNRS SIMAP Univ. 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