Title of article :
Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin
Author/Authors :
Krukle-Berzina, Kristine Latvian Institute of Organic Synthesis, Latvia , Belyakov, Sergey Latvian Institute of Organic Synthesis, Latvia , Mishnev, Anatoly Latvian Institute of Organic Synthesis, Latvia , Shubin, Kirill Latvian Institute of Organic Synthesis, Latvia
Abstract :
The crystal structure of the polymeric title compound, catena-poly[[diaqualithium]---cyclodextrin(1)-[aqualithium]---cyclodextrin(1)]
pentadecahydrate], {[Li2(C48H79O40)2(H2O)3]15H2O}n, consists of deprotonated -cyclodextrin (CD) molecules assembled by lithium ions into metal–
organic ribbons that are cross-linked by multiple O—HO hydrogen bonds
into sheets extending parallel to (011). Within a ribbon, one Li+ ion is
coordinated by one deprotonated hydroxyl group of the first -CD torus and by
one hydroxyl group of the second -CD torus as well as by two water molecules.
The other Li+ ion is coordinated by one deprotonated hydroxyl and by one
hydroxyl group of the second -CD torus, by one hydroxyl group of the first
-CD torus as well as by one water molecule. The coordination spheres of both
Li+ cations are distorted tetrahedral. The packing of the structure constitute
channels along the a axis. Parts of the hydroxymethyl groups in cyclodextrin
molecules as well as water molecules show two-component disorder. Electron
density associated with additional disordered solvent molecules inside the
cavities was removed with the SQUEEZE [Spek (2015). Acta Cryst. C71, 9–18]
routine in PLATON. These solvent molecules are not considered in the
given chemical formula and other crystal data. Five out of the sixteen
hydroxymethyl groups and one water molecule are disordered over two sets of
sites.
Keywords :
lithium , metal–organic framework , γ-cyclodextrin , SQUEEZE procedure , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications