2024-03-28T18:41:34Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1819242020-12-09T17:45:26Zcom_10261_89com_10261_3col_10261_342
2019-05-21T12:43:02Z
urn:hdl:10261/181924
Synthesis and crystal structure of the novel metal organic framework Zn(C3H5NO2S)2
Ferrer, Pilar
Silva, Iván da
Rubio-Zuazo, J.
Castro, Germán R.
Consejo Superior de Investigaciones Científicas (España)
Ministerio de Economía y Competitividad (España)
Zinc-cystine MOF
Powder X-ray diffraction
Structure determination
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 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.
2019-05-21T12:43:02Z
2019-05-21T12:43:02Z
2014-12
2019-05-21T12:43:09Z
artículo
Powder Diffraction 29(4): 366-370 (2014)
http://hdl.handle.net/10261/181924
10.1017/S0885715614000554
http://dx.doi.org/10.13039/501100003329
http://dx.doi.org/10.13039/501100003339
eng
https://doi.org/10.1017/S0885715614000554
Sí
closedAccess
Cambridge University Press