Crystal structure and magnetic behaviour of a five-coordinate iron(III) complex of pyridoxal-4-methylthiosemicarbazone

Eddy W. Yemeli Tido, Esther J.M. Vertelman, Auke Meetsma, Petra J. van Koningsbruggen

Research output: Contribution to journalArticlepeer-review


The crystal structure and magnetic properties of a penta-coordinate iron(III) complex of pyridoxal-4-methylthiosemicarbazone, [Fe(Hmthpy)Cl](CHCHSO), are reported. The synthesised ligand and the metal complex were characterised by spectroscopic methods (H NMR, IR, and mass spectroscopy), elemental analysis, and single crystal X-ray diffraction. The complex crystallises as dark brown microcrystals. The crystal data determined at 100(1) K revealed a triclinic system, space group P over(1, ¯) (Z = 2). The ONSCl geometry around the iron(III) atom is intermediate between trigonal bipyramidal and square pyramidal (t = 0.40). The temperature dependence of the magnetic susceptibility (5-300 K) is consistent with a high spin Fe(III) ion (S = 5/2) exhibiting zero-field splitting. Interpretation of these data yielded: D = 0.34(1) cm and g = 2.078(3).
Original languageEnglish
Pages (from-to)3896-3902
Number of pages7
JournalInorganica Chimica Acta
Issue number13
Publication statusPublished - 1 Oct 2007


  • crystal structure
  • penta-coordinate
  • iron(III)
  • pyridoxal-4-methylthiosemicarbazone
  • zero-field splitting


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