title: Structural characterization of Cd3(O3PC2H4CO2)2.2H2O from in-house X-ray powder data and NMR.
abstract: The title compound poly[[bis(mu-2-carboxylatoethylphosphonato)cadmium] dihydrate], Cd3(O3PC2H4CO2)2.2H2O, was prepared by a hydrothermal reaction and its crystal structure determined from in-house powder data. The structure was solved in both P2(1)/c and P2(1) space groups. The refinement converged with Rp = 0.1046, R(wp) = 0.1378 and Rf = 0.0763 in P2(1)/c. However, the solid-state NMR data could not be explained. The structure was then solved in P2(1) and the refinement converged with Rp = 0.0750, Rwp = 0.1022 and R(f) = 0.0409 and satisfied the NMR requirements.
authors.affiliation: Department of Chemistry, Texas A&M University, College Station, TX 77843-3255, USA.
authors.forename: Naima
authors.initials: N
authors.lastname: Bestaoui
authors.forename: Xiang
authors.initials: X
authors.lastname: Ouyang
authors.forename: Florence
authors.initials: F
authors.lastname: Fredoueil
authors.forename: Bruno
authors.initials: B
authors.lastname: Bujoli
authors.forename: Abraham
authors.initials: A
authors.lastname: Clearfield