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dc.contributor.authorFerrer, Pilar-
dc.contributor.authorSilva, Iván da-
dc.contributor.authorRubio-Zuazo, J.-
dc.contributor.authorCastro, Germán R.-
dc.date.accessioned2019-05-21T12:43:02Z-
dc.date.available2019-05-21T12:43:02Z-
dc.date.issued2014-12-
dc.identifierdoi: 10.1017/S0885715614000554-
dc.identifiere-issn: 1945-7413-
dc.identifierissn: 0885-7156-
dc.identifier.citationPowder Diffraction 29(4): 366-370 (2014)-
dc.identifier.urihttp://hdl.handle.net/10261/181924-
dc.description.abstractThe 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 ab initio from synchrotron X-ray powder diffraction data. The compound crystallizes in the orthorhombic system (space group P2 22), with a = 20.0906(7), b = 9.5842(3), c = 5.018 89(13), and V = 966.40(5) Å3, with Z = 4. The structure was determined using a direct space approach, by means of the Monte Carlo technique, followed by Rietveld refinement.-
dc.description.sponsorshipThe financial support of the Consejo Superior de Investigaciones Científicas and the Spanish Ministerio de Ciencia e Innovación (grant numbers PI201060E013 and MAT2011-23758) are also acknowledged.-
dc.publisherCambridge University Press-
dc.rightsclosedAccess-
dc.subjectZinc-cystine MOF-
dc.subjectPowder X-ray diffraction-
dc.subjectStructure determination-
dc.titleSynthesis and crystal structure of the novel metal organic framework Zn(C3H5NO2S)2-
dc.typeartículo-
dc.relation.publisherversionhttps://doi.org/10.1017/S0885715614000554-
dc.date.updated2019-05-21T12:43:09Z-
dc.description.versionPeer Reviewed-
dc.language.rfc3066eng-
dc.contributor.funderConsejo Superior de Investigaciones Científicas (España)-
dc.contributor.funderMinisterio de Economía y Competitividad (España)-
dc.relation.csic-
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003329es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003339es_ES
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