A dense hydrogen-bonding network and an unusually large packing index in triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymi um(III) trihydrate

作者：Maria Atria Ana; Teresa Garland Maria; Baggio Ricardo

来源：Acta Crystallographica Section C-Crystal Structure Communications, 2013, 69: 1378-U1633.

DOI：10.1107/S0108270113027881

• crystal structure
• mononuclear neodymium complex
• complex hydrogen-bonding network
• densely packed structure

The title mononuclear complex, [Nd(C5H3N2O3)(3)(H2O)(3)]center dot 3H(2)O, consists of an Nd-III cation, three 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ligands and three aqua ligands forming the neutral complex molecule, and three solvent water molecules. The pyrimidinecarboxylate ligands act in a chelating manner, via carboxylate and keto O atoms. The NdO9 coordination polyhedron is in the form of a distorted monocapped square antiprism. The availability of numerous hydrogen-bonding donors and acceptors results in a very dense hydrogen-bonding network, the immediate effect of which is an unusually large packing index.

• 出版日期2013-11