The structure of hexadeca-mu-acetato-tetraaquadodeca-mu3 oxo-dodecamanganese bis(acetic acid) tetrahydrate, [Mn12O12 (CH3COO)16(H2O)4].2CH3COOH.4H2O, known as Mn-12- acetate, has been determined at 83(2) K by X-ray diffraction methods. The fourfold (S-4) molecular symmetry is disrupted by a strong hydrogen-bonding interaction with the disordered acetic acid molecule of solvation, which displaces one of the acetate ligands in the cluster. Up to six Mn-12 isomers are potentially present in the crystal lattice, which differ in the number and arrangement of hydrogen-bonded acetic acid molecules. These results considerably improve the structural information available on this molecular nanomagnet, which was first synthesized and characterized by Lis [Acta Cryst. (1980), B36, 2042-2046].
Disorder effects in Mn12–acetate at 83 K / Cornia, Andrea; FABRETTI COSTANTINO, Antonio; R., Sessoli; L., Sorace; D., Gatteschi; A. L., Barra; C., Daiguebonne; T., Roisnel. - In: ACTA CRYSTALLOGRAPHICA. SECTION C, CRYSTAL STRUCTURE COMMUNICATIONS. - ISSN 0108-2701. - STAMPA. - 58:(2002), pp. m371-m373. [10.1107/S0108270102009010]
Disorder effects in Mn12–acetate at 83 K
CORNIA, Andrea;FABRETTI COSTANTINO, Antonio;
2002
Abstract
The structure of hexadeca-mu-acetato-tetraaquadodeca-mu3 oxo-dodecamanganese bis(acetic acid) tetrahydrate, [Mn12O12 (CH3COO)16(H2O)4].2CH3COOH.4H2O, known as Mn-12- acetate, has been determined at 83(2) K by X-ray diffraction methods. The fourfold (S-4) molecular symmetry is disrupted by a strong hydrogen-bonding interaction with the disordered acetic acid molecule of solvation, which displaces one of the acetate ligands in the cluster. Up to six Mn-12 isomers are potentially present in the crystal lattice, which differ in the number and arrangement of hydrogen-bonded acetic acid molecules. These results considerably improve the structural information available on this molecular nanomagnet, which was first synthesized and characterized by Lis [Acta Cryst. (1980), B36, 2042-2046].
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