title: Disorder effects in Mn(12)-acetate at 83 K.
abstract: The structure of hexadeca-mu-acetato-tetraaquadodeca-mu(3)-oxo-dodecamanganese bis(acetic acid) tetrahydrate, [Mn(12)O(12)(CH(3)COO)(16)(H(2)O)(4)] x 2CH(3)COOH x 4H(2)O, 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].
authors.affiliation: Dipartimento di Chimica e INSTM, Università di Modena e Reggio Emilia, Via G. Campi 183, I-41100 Modena, Italy. acornia@unimo.it
authors.forename: Andrea
authors.initials: A
authors.lastname: Cornia
authors.forename: Antonio Costantino
authors.initials: AC
authors.lastname: Fabretti
authors.forename: Roberta
authors.initials: R
authors.lastname: Sessoli
authors.forename: Lorenzo
authors.initials: L
authors.lastname: Sorace
authors.forename: Dante
authors.initials: D
authors.lastname: Gatteschi
authors.forename: Anne-Laure
authors.initials: AL
authors.lastname: Barra
authors.forename: Carole
authors.initials: C
authors.lastname: Daiguebonne
authors.forename: Thierry
authors.initials: T
authors.lastname: Roisnel