Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe7(tea)3(tea-H)3](ClO4)2 (tea-H3 is triethanolamine).

Author(s) van der Horn, J.A.; Lutz, M.
Journal Acta Crystallogr C Struct Chem
Date Published 2018 Feb 01

The X-ray crystal structure of tris[N-(2-hydroxyethyl)-2,2'-iminodiethanolato]tris(2,2',2''-nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate), [Fe(CHNO)(CHNO)](ClO)or [Fe(tea)(tea-H)](ClO)(tea-His triethanolamine), is known from the literature [Liu et al. (2008). Z. Anorg. Allg. Chem. 634, 778-783] as a heptanuclear coordination cluster. The space group was given as I23 and is reinvestigated in the present study. We find a new space-group symmetry of Pa-3 and could detect O-H hydrogens, which were missing in the original publication. Consequences on the Fe oxidation states are investigated with the bond-valence method, resulting in a mixed-valence core of four Feand three Fecentres. Symmetry relationships between the two space groups and the average supergroup Ia-3 are discussed in detail.

DOI 10.1107/S2053229617018460
ISSN 2053-2296
Citation Acta Crystallogr C Struct Chem. 2018;74(Pt 2):125130.

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