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Tetra-kis(acetonitrile-?N)lithium hexa-fluoridophosphate acetonitrile monosolvate.

ABSTRACT: In the title compound, [Li(CH(3)CN)(4)]PF(6)·CH(3)CN, the asymmetric unit consists of three independent tetra-hedral [Li(CH(3)CN)(4)](+) cations, three uncoordinated PF(6) (-) anions and three uncoordinated CH(3)CN solvent mol-ecules. The three anions are disordered over two sites through a rotation along one of the F-P-F axes. The relative occupancies of the two sites for the F atoms are 0.643?(16):0.357?(16), 0.677?(10):0.323?(10) and 0.723?(13):0.277?(13). The crystal used was a racemic twin, with approximately equal twin components.

SUBMITTER: Seo DM

PROVIDER: S-EPMC3212250 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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Tetra-kis(acetonitrile-κN)lithium hexa-fluoridophosphate acetonitrile monosolvate.

Seo Daniel M DM Boyle Paul D PD Henderson Wesley A WA

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

In the title compound, [Li(CH(3)CN)(4)]PF(6)·CH(3)CN, the asymmetric unit consists of three independent tetra-hedral [Li(CH(3)CN)(4)](+) cations, three uncoordinated PF(6) (-) anions and three uncoordinated CH(3)CN solvent mol-ecules. The three anions are disordered over two sites through a rotation along one of the F-P-F axes. The relative occupancies of the two sites for the F atoms are 0.643 (16):0.357 (16), 0.677 (10):0.323 (10) and 0.723 (13):0.277 (13). The crystal used was a racemic twin, ...[more]

PMID: 22090907

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