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 language | English (US) |
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Pages (from-to) | 7049-7053 |
Number of pages | 5 |
Journal | Journal of the American Chemical Society |
Volume | 97 |
Issue number | 24 |
DOIs | |
State | Published - Nov 1 1975 |
ASJC Scopus subject areas
- Catalysis
- General Chemistry
- Biochemistry
- Colloid and Surface Chemistry