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Redetermination of (acetonitrile-?N)dicarbon-yl(?(5)-cyclo-penta-dien-yl)iron(II) tetra-fluoridoborate.

ABSTRACT: The crystal structure of the title compound, [Fe(C(5)H(5))(CH(3)CN)(CO)(2)]BF(4), of which only the coordinates of the non-H atoms of the cation have previously been reported [Fadel et al. (1979 ?). Z. Anorg. Allg. Chem.453, 98-106] has been redetermined. The Fe(II) atom in the complex cation is coordinated by a cyclo-penta-dienyl ring, two carbonyl ligands and an acetonitrile mol-ecule displaying a three-legged piano stool structure. Three of the four F atoms of the BF(4) (-) anion are disordered over two sets of sites, with a site-occupancy factor of 0.709?(10) for the major occupied site.

SUBMITTER: Kuckmann T

PROVIDER: S-EPMC3393217 | biostudies-other | 2012 Jul

REPOSITORIES: biostudies-other

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Redetermination of (acetonitrile-κN)dicarbon-yl(η(5)-cyclo-penta-dien-yl)iron(II) tetra-fluoridoborate.

Kückmann Theresa T Lerner Hans-Wolfram HW Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20120623 Pt 7

The crystal structure of the title compound, [Fe(C(5)H(5))(CH(3)CN)(CO)(2)]BF(4), of which only the coordinates of the non-H atoms of the cation have previously been reported [Fadel et al. (1979 ▶). Z. Anorg. Allg. Chem.453, 98-106] has been redetermined. The Fe(II) atom in the complex cation is coordinated by a cyclo-penta-dienyl ring, two carbonyl ligands and an acetonitrile mol-ecule displaying a three-legged piano stool structure. Three of the four F atoms of the BF(4) (-) anion are disorder ...[more]

PMID: 22807785

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