THE Fe(III) COMPLEX OF N,N′,N″-TRIS(3-HYDROXY-6 METHYL-2-PYRIDYLMETHYL)-1,4,7-TRIAZACYCLONONANE Fe(C27H33N6O3 · C6H6 · 2H2O)
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The crystal structure of FeC27H33N6O3. C6H6.2H20 has been determined. This complex is orthorhombic and crystallizes in space group P21212 with cell parameters a = 13.226(4)Å, b = 19.410(6)Å, c = 12.779(4)Å, V = 3281(2)Å3, Z = 4 and Mr = 659.61. RF = 0.056 for 1626 observed reflections with ≀>3 σ(≀) and 199 variables. The structure consists of a neutral complex of FeC27H33N6O3 with Fe(III) in a slightly distorted octahedral environment coordinated to three tertiary amino nitrogen atoms and three phenolate-like oxygen atoms (FeN3O3). The average Fe-N distance = 2.22Å, Fe-O = 1.91Å. The twist angle of 54.0° is nearly the value expected for a purely octahedral complex (60°) and a correlation between the twist angle and the stability of the complex in solution is suggested. © 1995, Taylor & Francis Group, LLC. All rights reserved.
author list (cited authors)
Sun, Y., Hu, H. L., Martell, A. E., & Clearfield, A.