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Fac-Bis(acetonitrile-?N)tricarbonyl-(trifluoro-acetato-?O)rhenium(I).

ABSTRACT: In the title compound, [Re(CF(3)COO)(CH(3)CN)(2)(CO)(3)], the Re atom has a distorted octa-hedral configuration. The two acetonitrile mol-ecules and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the trifluoroacetato ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re atom. The CF(3) segment of the trifluoroacetato ligand shows rotational disorder and the refined site-occupancy factors of the disordered parts are ca 0.5/0.5. The crystal structure is stabilized by C-H?O and C-H?F hydrogen bonds.

SUBMITTER: Kia R

PROVIDER: S-EPMC2959409 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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fac-Bis(acetonitrile-κN)tricarbonyl-(trifluoro-acetato-κO)rhenium(I).

Kia Reza R Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20080924 Pt 10

In the title compound, [Re(CF(3)COO)(CH(3)CN)(2)(CO)(3)], the Re atom has a distorted octa-hedral configuration. The two acetonitrile mol-ecules and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the trifluoroacetato ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re atom. The CF(3) segment of the trifluoroacetato ligand shows rotational disorder and the refined site-occupanc ...[more]

PMID: 21201050

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