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Diaqua-tris-[4,4,4-trifluoro-3-oxo-1-(thio-phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate.

ABSTRACT: The title complex, [Nd(C(8)H(4)F(3)O(2)S)(3)(H(2)O)(2)]·CH(3)CN, consists of an Nd(III) ion surrounded by three 4,4,4-trifluoro-3-oxo-1-(thio-phen-2-yl)but-1-en-1-olate ligands, coordinated through the O atoms, and two water mol-ecules. The Nd-O bond lengths range from 2.372?(2) to 2.513?(2)?Å. The metal ion displays a coordination number of eight and a square-anti-prismatic coordination geometry. A single uncoordinated acetonitrile mol-ecule is present in the asymmetric unit. Two of the three thio-phene rings are disordered, resulting from a 180° rotation with respect to the ?-diketonate moiety. The coordinated water mol-ecules act as hydrogen-bond donors towards the acetonitrile N atom and the ?-diketonate O atoms.

SUBMITTER: Barber PS

PROVIDER: S-EPMC3200760 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Diaqua-tris-[4,4,4-trifluoro-3-oxo-1-(thio-phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate.

Barber Patrick S PS de Bettencourt-Dias Ana A

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9

The title complex, [Nd(C(8)H(4)F(3)O(2)S)(3)(H(2)O)(2)]·CH(3)CN, consists of an Nd(III) ion surrounded by three 4,4,4-trifluoro-3-oxo-1-(thio-phen-2-yl)but-1-en-1-olate ligands, coordinated through the O atoms, and two water mol-ecules. The Nd-O bond lengths range from 2.372 (2) to 2.513 (2) Å. The metal ion displays a coordination number of eight and a square-anti-prismatic coordination geometry. A single uncoordinated acetonitrile mol-ecule is present in the asymmetric unit. Two of the three t ...[more]

PMID: 22058840

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