Crystal Structure of a Six-coordinated (2,3,7,8,12,13,17,18-Octaethylporphyrinato)-iron(III) Complex with Two 4-Methylpyridine A-Oxides

Abstract

The title complex of a six-coordinated (2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) complex with two 4-methylpyridine N-oxides, [Fe(OEP)(4-MePyNO)2]BF4 (BF4: Tetrafluoroborate), was isolated, and the crystal structure was determined by the single-crystal X-ray diffraction method at 100(2)K. It crystallizes in the triclinic space group P-1 with a = 7.9064(2)Å, b = 13.7091(4)Â, c = 20.7535(6)Å, A = 90.870(2)°, ß = 92.579(2)°, γ = 93.419(2)°V = 2242.83(11)Å3, Dx = 1.323 g/cm3, and Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0517 and 0.1167, respectively, for all 10829 independent reflections. The average Fe-N and Fe-O distances are 2.045(2)Â and 2.093(1)Å. The porphyrin ring is a perfectly planar structure. We will determine the magnetic behaviors by SQUID and ESR measurements.