title: Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework†Electronic supplementary information (ESI) available: Atomic coordinates and lattice parameter data. CCDC 1016797. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01572jClick here for additional data file.
abstract: The metal-organic framework copper(i) tricyanomethanide, Cu(tcm), undergoes a ferroelastic transition on cooling belowTf= 240 K. Thermal expansion measurements reveal an order-of-magnitude variation in framework flexibility acrossTf. The low-temperature phase α-Cu(tcm) exhibits colossal positive and negative thermal expansion that is the strongest ever reported for a framework material. On exposure to acetonitrile, Cu(tcm) undergoes a reconstructive solid-phase transition to acetonitrilocopper(i) tricyanomethanide. This transition can be reversed by heating under vacuum. Infrared spectroscopy measurements are sensitive to the phase change, suggesting that Cu(tcm) may find application in solid-phase acetonitrile sensing.
authors: Department of Chemistry , University of Oxford , Inorganic Chemistry Laboratory , South Parks Road , Oxford , OX1 3QR , UK . Email: andrew.goodwin@chem.ox.ac.uk.
authors: Sarah J
authors: SJ
authors: Hunt
authors: Department of Chemistry , University of Oxford , Inorganic Chemistry Laboratory , South Parks Road , Oxford , OX1 3QR , UK . Email: andrew.goodwin@chem.ox.ac.uk.
authors: Matthew J
authors: MJ
authors: Cliffe
authors: Department of Chemistry , University of Oxford , Inorganic Chemistry Laboratory , South Parks Road , Oxford , OX1 3QR , UK . Email: andrew.goodwin@chem.ox.ac.uk.
authors: Joshua A
authors: JA
authors: Hill
authors: Department of Chemistry , University of Oxford , Inorganic Chemistry Laboratory , South Parks Road , Oxford , OX1 3QR , UK . Email: andrew.goodwin@chem.ox.ac.uk.
authors: Andrew B
authors: AB
authors: Cairns
authors: Department of Chemistry , University of Oxford , Inorganic Chemistry Laboratory , South Parks Road , Oxford , OX1 3QR , UK . Email: andrew.goodwin@chem.ox.ac.uk.
authors: Nicholas P
authors: NP
authors: Funnell
authors: Department of Chemistry , University of Oxford , Inorganic Chemistry Laboratory , South Parks Road , Oxford , OX1 3QR , UK . Email: andrew.goodwin@chem.ox.ac.uk.
authors: Andrew L
authors: AL
authors: Goodwin
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