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

doi:10.1107/S2053229614008158

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 journal › Article › peer-review

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 [Fe^III(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 L^2- ligand binds through the thiolate S, the imine N and the phenolate O atoms as donors, resulting in an Fe^IIIS₂N 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 Fe^III cation is in the low-spin state at 100K.

Original language	English
Pages (from-to)	595-598
Number of pages	4
Journal	Acta Crystallographica Section C: Structural Chemistry
Volume	70
Issue number	6
Early online date	17 May 2014
DOIs	https://doi.org/10.1107/S2053229614008158
Publication status	Published - 15 Jun 2014

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

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10.1107/S2053229614008158

Fe(III) in a low-spin state in caesium
Acta Crystallographica Section C. DOI: http://dx.doi.org/10.1107/S2053229614008158
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@article{b1eb9ec3de574840aa66f49f05cb2676,

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",

month = jun,

day = "15",

doi = "10.1107/S2053229614008158",

language = "English",

volume = "70",

pages = "595--598",

journal = "Acta Crystallographica Section C: Structural Chemistry",

issn = "2053-2296",

publisher = "Wiley",

number = "6",

}

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

Research output: Contribution to journal › Article › peer-review

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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EP - 598

JO - Acta Crystallographica Section C: Structural Chemistry

JF - Acta Crystallographica Section C: Structural Chemistry

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ER -

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

Abstract

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Keywords

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