Coordination chemistry of polynitriles. Part 9. Decacyanoferrocene revisited: crystal and molecular structure of cis-[{C5(CN)5}2(MeCN)4Fe]

Acta Crystallogr C Struct Chem. 2022 Feb 1;78(Pt 2):94-100. doi: 10.1107/S2053229622000365. Epub 2022 Jan 21.

Abstract

The reaction of Ag[C5(CN)5] with anhydrous FeCl2 in acetonitrile leads to colourless crystals of tetrakis(acetonitrile-κN)bis(pentacyanocyclopentadienido-κN)iron(II) acetonitrile 1.8-solvate, [Fe(C10N5)2(CH3CN)4]·1.8CH3CN or cis-[{C5(CN)5}2(MeCN)4Fe]·1.8MeCN. The compound crystallizes in the triclinic space group P-1 as monomers, which exhibit weak C-H...N and π-π interactions. The crystals contain ca 20% solvent-accessible voids, which are nearly completely filled by two MeCN molecules.

Keywords: crystal structure; decacyanoferrocene; ferrocene; pentacyanocyclopentadienide; weak interactions; π–π interactions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Hydrogen Bonding
  • Models, Molecular
  • Molecular Structure*
  • Solvents

Substances

  • Solvents