The structure of cubic MOF [{Ca(H2O)6}{CaGd(oxydiacetate)3}2].4H2O. A comparison between structural models obtained from Rietveld refinement of conventional and synchrotron X-ray powder diffraction data and standard refinement of single-crystal X-ray diffraction data

• Published in: Powder diffraction Vol. 27; no. 4; pp. 232 - 242
• Main Authors: Suescun, Leopoldo, Wang, Jun, Faccio, Ricardo, Peinado, Guzmán, Torres, Julia, Kremer, Carlos, Burrow, Robert A.
• Format: Journal Article
• Language: English
• Published: New York, USA Cambridge University Press 01.12.2012
• Subjects: Technical Articles; Rietveld method; metal–organic framework; radiation damage; single-crystal X-ray diffraction; X-ray powder diffraction

The structure of the metal–organic framework (MOF) compound [{Ca(H2O)6}{CaGd(oxydiacetate)3}2]·4H2O was determined by single-crystal X-ray diffraction and refined using conventional single-crystal X-ray diffraction data. In addition, the structure was refined using powder diffraction data collected...