Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)neodymate(III)] 15.33-hydrate

• Main Authors: Jafar Attar Gharamaleki, Mohammad Ghadermazi, Andya Nemati, Hossein Aghabozorg, Zohreh Derikvand
• Format: Article
• Language: English
• Published: International Union of Crystallography 2008-02-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536807068328

The title compound, (C4H12N2)3[Nd(C7H3NO4)3]2·15.33H2O or (pipzH2)3[Nd(pydc)3]2·15.33H2O (in which pipz is piperazine and pydcH2 is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of NdCl3·6H2O with the proton-transfer compound (pipzH2)(pydc) in aqueous solution. The nine donor atoms of the three pydc2− ligands form a distorted tricapped trigonal–prismatic arrangement around the NdIII center. Considerable C—O...π stacking interactions between CO groups of carboxylate fragments and aromatic rings of pydc2− with distances of 3.135 (5)–3.255 (5) Å are observed. In the crystal structure, a wide range of hydrogen-bonding [of the types O—H...O, N—H...O and C—H...O, with D...A distances ranging from 2.608 (10) to 3.278 (7) Å], ion-pairing and C—O...π stacking interactions connect the various components into a supramolecular structure. There is a high degree of solvent disorder in the structure; the occupancies of five water molecules refined to 0.6, 0.5, 0.4, 0.25 and 0.25.