Structure of monoclinic chloro(meso-tetraphenylporphyrinato)iron(III).

W R Scheidt, M G Finnegan

Index: Acta Crystallogr. C 45 ( Pt 8) , 1214-6, (1989)

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Abstract

[FeCl(C44H28N4)], Mr = 704.03, monoclinic, P21/n, a = 10.254 (2), b = 15.969 (3), c = 20.810 (4) A, beta = 90.48 (2) degree, V = 3407.7 A3, Z = 4, Dx = 1.37 g cm-3, Mo K alpha, lambda = 0.71073 A, mu = 5.6 cm-1, F(000) = 363, T = 293 K, R = 0.047 for 3357 unique observed reflections. The iron(III) ion is coordinated to a chloride, Fe--Cl = 2.211 (1) A, and four porphyrinato N atoms, average Fe--N = 2.070 (9) A. The iron(III) is displaced 0.57 A from the mean plane of the 24-atom core.