Synthesis and crystal structure of the novel metal organic framework Zn(C3H5NO2S)2. Issue 4 (9th September 2014)

• Record Type: Journal Article
• Authors: Ferrer, P.; da Silva, I.; Rubio-Zuazo, J.; Castro, G. R.
• Is Part Of: Powder diffraction. Volume 29:Issue 4(2014)
• Page Start: 366
• Page End: 370
• Publication Date: 2014-09-09
• Subjects: Powder metallurgy -- Periodicals; Materials -- Analysis -- Periodicals; 620.1127
• DOI: 10.1017/S0885715614000554
• Languages: English
• ISSNs: 0885-7156

Abstract

<abstract abstract-type="normal"> <title> <x content-type="archive" xml:space="preserve">Abstract</x> </title> <p>The crystal structure of the novel metal organic framework (MOF) Zn(C₃H₅NO₂S)₂ is described. This MOF can serve as a model for active sites in metalloproteins, on diverse activities such as structural or catalytic functions. Each half of the amino acid act as a bidentate ligand to one Zn and as a monodentate ligand to another Zn, while the disulphide bond presents an important structural function, stabilizing the crystal packing. The structure has been obtained <italic>ab initio</italic> from synchrotron X-ray powder diffraction data. The compound crystallizes in the orthorhombic system (space group <italic>P</italic>2₁2₁2₁), with <italic>a</italic> = 20.0906(7), <italic>b</italic> = 9.5842(3), <italic>c</italic> = 5.018 89(13), and <italic>V</italic> = 966.40(5) ų, with <italic>Z</italic> = 4. The structure was determined using a direct space approach, by means of the Monte Carlo technique, followed by Rietveld refinement.</p> </abstract>