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

Robyn Powell, Carl Schwalbe, Graham J. Tizzard, Petra Van Koningsbruggen*

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Pages (from-to)595-598
Number of pages4
JournalActa Crystallographica Section C: Structural Chemistry
Volume70
Issue number6
Early online date17 May 2014
DOIs
Publication statusPublished - 15 Jun 2014

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ferrates
Cesium
cesium
Methanol
methyl alcohol
Atoms
Cations
Positive ions
Ligands
atoms
cations
ligands
Imines
Chromophores
imines
chromophores
Crystal structure
fragments
crystal structure
Molecules

Bibliographical note

Funding: EPSRC

Supporting information for this paper is available from the IUCr electronic archives (Reference: SF3227).

Keywords

  • chromophores
  • crystal structure
  • iron(III)
  • low-spin structures
  • switching behaviour
  • thiosemicarbazones

Cite this

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title = "Fe III in a low-spin state in caesium bis[3-ethoxysalicylaldehyde 4-methylthiosemicarbazonato(2–)-κ3O2,N1,S]ferrate(III) methanol monosolvate",
abstract = "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.",
keywords = "chromophores, crystal structure, iron(III), low-spin structures, switching behaviour, thiosemicarbazones",
author = "Robyn Powell and Carl Schwalbe and Tizzard, {Graham J.} and {Van Koningsbruggen}, Petra",
note = "Funding: EPSRC Supporting information for this paper is available from the IUCr electronic archives (Reference: SF3227).",
year = "2014",
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language = "English",
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journal = "Acta Crystallographica Section C: Structural Chemistry",
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}

Fe III in a low-spin state in caesium bis[3-ethoxysalicylaldehyde 4-methylthiosemicarbazonato(2–)-κ3O2,N1,S]ferrate(III) methanol monosolvate. / Powell, Robyn; Schwalbe, Carl; Tizzard, Graham J.; Van Koningsbruggen, Petra.

In: Acta Crystallographica Section C: Structural Chemistry, Vol. 70, No. 6, 15.06.2014, p. 595-598.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Fe III in a low-spin state in caesium bis[3-ethoxysalicylaldehyde 4-methylthiosemicarbazonato(2–)-κ3O2,N1,S]ferrate(III) methanol monosolvate

AU - Powell, Robyn

AU - Schwalbe, Carl

AU - Tizzard, Graham J.

AU - Van Koningsbruggen, Petra

N1 - Funding: EPSRC Supporting information for this paper is available from the IUCr electronic archives (Reference: SF3227).

PY - 2014/6/15

Y1 - 2014/6/15

N2 - 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.

AB - 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.

KW - chromophores

KW - crystal structure

KW - iron(III)

KW - low-spin structures

KW - switching behaviour

KW - thiosemicarbazones

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DO - 10.1107/S2053229614008158

M3 - Article

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SN - 2053-2296

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