Fe III in a low-spin state in caesium bis[3-ethoxysalicylaldehyde 4-methylthiosemicarbazonato(2–)-κ3O2,N1,S]ferrate(III) methanol monosolvate


The synthesis and crystal structure (at 100K) of the title compound, Cs[Fe(C11H13N3O2S2) 2] CH3OH, is reported. The asymmetric unit consists of an octahedral [FeIII(L)2]- fragment, where L 2- is 3-ethoxysalicylaldehyde 4-methylthiosemicarbazonate(2-) {systematic name: [2-(3-ethoxy-2-oxidobenzylidene)hydrazin-1-ylidene] (methylamino)methanethiolate}, a caesium cation and a methanol solvent molecule. Each L2- ligand binds through the thiolate S, the imine N and the phenolate O atoms as donors, resulting in an FeIIIS2N 2O2 chromophore. The O,N,S-coordinating ligands are orientated in two perpendicular planes, with the O and S atoms in cis positions and the N atoms in trans positions. The FeIII cation is in the low-spin state at 100K.

Publication DOI: https://doi.org/10.1107/S2053229614008158
Divisions: College of Engineering & Physical Sciences > School of Infrastructure and Sustainable Engineering > Chemical Engineering & Applied Chemistry
College of Health & Life Sciences > Aston Pharmacy School
Additional Information: Funding: EPSRC Supporting information for this paper is available from the IUCr electronic archives (Reference: SF3227).
Uncontrolled Keywords: chromophores,crystal structure,iron(III),low-spin structures,switching behaviour,thiosemicarbazones,Inorganic Chemistry,Physical and Theoretical Chemistry,Materials Chemistry,Condensed Matter Physics
Publication ISSN: 2053-2296
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PURE Output Type: Article
Published Date: 2014-06-15
Published Online Date: 2014-05-17
Authors: Powell, Robyn
Schwalbe, Carl
Tizzard, Graham J.
Van Koningsbruggen, Petra (ORCID Profile 0000-0001-9366-1913)



Version: Published Version

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