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Specifically, whereas SIFSIX\u201023\u2010Cu, [Cu(SiF<jats:sub>6<\/jats:sub>)(L)<jats:sub>2<\/jats:sub>]<jats:sub>n<\/jats:sub>, (L=1,4\u2010bis(1\u2010imidazolyl)benzene, SiF<jats:sub>6<\/jats:sub><jats:sup>2\u2212<\/jats:sup>=SIFSIX) has been previously reported to exhibit reversible switching between closed and open phases, the activated phase of SIFSIX\u201023\u2010Cu<jats:sup>N<\/jats:sup>, [Cu(SiF<jats:sub>6<\/jats:sub>)(L<jats:sup>N<\/jats:sup>)<jats:sub>2<\/jats:sub>]<jats:sub>n<\/jats:sub> (L<jats:sup>N<\/jats:sup>=2,5\u2010bis(1\u2010imidazolyl)pyridine), transformed to a kinetically stable porous phase with strong affinity for CO<jats:sub>2<\/jats:sub>. As\u2010synthesized SIFSIX\u201023\u2010Cu<jats:sup>N<\/jats:sup>, \u03b1, transformed to less open, \u03b3, and closed, \u03b2, phases during activation. \u03b2 did not adsorb N<jats:sub>2<\/jats:sub> (77\u2005K), rather it reverted to \u03b1 induced by CO<jats:sub>2<\/jats:sub> at 195, 273 and 298\u2005K. CO<jats:sub>2<\/jats:sub> desorption resulted in \u03b1\u2032, a shape\u2010memory phase which subsequently exhibited type\u2010I isotherms for N<jats:sub>2<\/jats:sub> (77\u2005K) and CO<jats:sub>2<\/jats:sub> as well as strong performance for separation of CO<jats:sub>2<\/jats:sub>\/N<jats:sub>2<\/jats:sub> (15\/85) at 298\u2005K and 1\u2005bar driven by strong binding (Q<jats:sub>st<\/jats:sub>=45\u201351\u2005kJ\/mol) and excellent CO<jats:sub>2<\/jats:sub>\/N<jats:sub>2<\/jats:sub> selectivity (up to 700). Interestingly, \u03b1\u2032 reverted to \u03b2 after re\u2010solvation\/desolvation. Molecular simulations and density functional theory (DFT) calculations provide insight into the properties of SIFSIX\u201023\u2010Cu<jats:sup>N<\/jats:sup>.<\/jats:p>","DOI":"10.1002\/anie.202309985","type":"journal-article","created":{"date-parts":[[2023,9,29]],"date-time":"2023-09-29T02:40:46Z","timestamp":1695955246000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":28,"title":["Shape\u2010Memory Effect Enabled by Ligand Substitution and CO<sub>2<\/sub> Affinity in a Flexible SIFSIX Coordination Network"],"prefix":"10.1002","volume":"62","author":[{"given":"Bai\u2010Qiao","family":"Song","sequence":"first","affiliation":[{"name":"College of Materials and Chemistry &amp; Chemical Engineering Chengdu University of Technology  610059 Chengdu China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohana","family":"Shivanna","sequence":"additional","affiliation":[{"name":"Institute for Integrated Cell-Material 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