A zirconium zwitterion containing a caged amine H atom

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 59; no. 11; pp. m494 - m496
• Main Authors: Nielson, Alastair J., Shen, Chaohong, Waters, Joyce M.
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England Munksgaard International Publishers 01.11.2003; Blackwell
• Subjects: Condensed matter: structure, mechanical and thermal properties; Exact sciences and technology; Inorganic compounds; Metal complexes; Physics; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Alkoxides; Inorganic compounds; Transition element complexes; Molecular structure; Organic ligand; Zwitterion; XRD; Experimental study; Solvate; Zirconium IV Complexes; Benzenic compound; Temperature range 65-273 K; Ammonium Organic compounds; Intramolecular hydrogen bond; Betaines; Low temperature; Crystal structure
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S0108270103022595

The crystallographically centrosymmetric zwitterion bis­[tris(3,5‐di­methyl‐2‐oxidobenzyl‐κO)­ammonium]­zirconium(IV) crystallizes as the chloro­form disolvate, [Zr(C27H31NO3)2]·2CHCl3, with the two mol­ecules of chloro­form closely associated with two of the aromatic rings. The Zr atom has a distorted octahedral geometry with three phenoxy O atoms from each of the two ligands coordinated to it. Charge balance is maintained by protonation of each N atom, which then forms intramolecular hydrogen‐bonding interactions to all three adjacent O atoms.