The Crystal and Molecular Structure of an Octaaza[14]annulene Complex of Iron(II). A Molecular Oxygen Carrier

Robert G. Little, James A Ibers*, J. E. Baldwin

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

The four-coordinate iron(II) complex of the substituted octaaza[14]annulene reported by Baldwin and Huff (J. Am. Chem. Soc., 95, 5757 (1973)) to be a molecular oxygen carrier has been characterized by a complete X-ray structural determination. The complex crystallizes with two molecules in space group C2h 5-P21/c of the monoclinic system in a cell of dimensions, a = 11.976 (8) Å, b = 8.147 (5) Å, c = 22.567 (14) Å, and β = 98.83(4)°. A crystallographic center of inversion is imposed on each molecule. The structure has been refined anisotropically to a final R index (on F) of 0.085 for the 2651 measured intensities having Fo 2 > 3σ(Fo 2). The coordination about the iron atom is approximately square-planar with two unequal Fe-N bond lengths of 1.846 (4) and 1.826 (4) Å. The bond lengths within the macrocyclic ligand are nearly identical with those observed in other octaaza[14]annulene complexes, although the ligand is distinctly nonplanar in this complex. We believe the short Fe-N bond lengths in the complex result in part from the constrictive effect of the macrocycle.

Original languageEnglish (US)
Pages (from-to)7049-7053
Number of pages5
JournalJournal of the American Chemical Society
Volume97
Issue number24
DOIs
StatePublished - Nov 1 1975

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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