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Crystal structure of bis-(acetyl-acetonato-?(2) O,O')(tetra-hydro-furan-?O)(tri-fluoro-methane-sulfonato-?O)iron(III).

ABSTRACT: The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetyl-acetonate; OTf = tri-fluoro-methane-sulfon-ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa-hedral environment [Fe-O bond-length range = 1.9517?(11)-2.0781?(11)?Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622?(16):0.378?(16). Weak inter-molecular C-H?O and C-H?F hydrogen-bonding inter-actions generate a two-dimensional supra-molecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis-(acetyl-acetonato)iron(III) complex.

SUBMITTER: Richers CP

PROVIDER: S-EPMC4647377 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of bis-(acetyl-acetonato-κ(2) O,O')(tetra-hydro-furan-κO)(tri-fluoro-methane-sulfonato-κO)iron(III).

Richers Casseday P CP Bertke Jeffery A JA Rauchfuss Thomas B TB

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetyl-acetonate; OTf = tri-fluoro-methane-sulfon-ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa-hedral environment [Fe-O bond-length range = 1.9517 (11)-2.0781 (11) Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16). Weak inter-molecular C-H⋯O and C-H⋯F hydrogen-bonding ...[more]

PMID: 26594397

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