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Ammonium bis(salicylaldehyde thiosemicarbazonato)ferrate(III), a supramolecular material containing low-spin FeIII.


ABSTRACT: The synthesis and crystal structure (100?K) of the title compound, ammonium bis[salicylaldehyde thiosemicarbazonato(2-)-?3O,N1,S]iron(III), NH4[Fe(C8H7N3OS)2], is reported. The asymmetric unit consists of an octahedral [FeIII(thsa)2]- fragment, where thsa2- is salicylaldehyde thiosemicarbazonate(2-), and an NH4+ cation. Each thsa2- ligand binds via the thiolate S, the imine N and the phenolate O donor atoms, resulting in an FeIIIS2N2O2 chromophore. The ligands are orientated in two perpendicular planes, with the O and S atoms in cis and the N atoms in trans positions. The FeIII ion is in the low-spin state at 100?K. The crystal structure belongs to a category I order-disorder (OD) family. It is a polytype of a maximum degree of order (MDO). Fragments of the second MDO polytype lead to systematic twinning by pseudomerohedry.

SUBMITTER: Powell RE 

PROVIDER: S-EPMC7273187 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

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Ammonium bis(salicylaldehyde thiosemicarbazonato)ferrate(III), a supramolecular material containing low-spin Fe<sup>III</sup>.

Powell Robyn E RE   Stöger Berthold B   Knoll Christian C   Müller Danny D   Weinberger Peter P   Koningsbruggen Petra J van PJV  

Acta crystallographica. Section C, Structural chemistry 20200529 Pt 6


The synthesis and crystal structure (100 K) of the title compound, ammonium bis[salicylaldehyde thiosemicarbazonato(2-)-κ<sup>3</sup>O,N<sup>1</sup>,S]iron(III), NH<sub>4</sub>[Fe(C<sub>8</sub>H<sub>7</sub>N<sub>3</sub>OS)<sub>2</sub>], is reported. The asymmetric unit consists of an octahedral [Fe<sup>III</sup>(thsa)<sub>2</sub>]<sup>-</sup> fragment, where thsa<sup>2-</sup> is salicylaldehyde thiosemicarbazonate(2-), and an NH<sub>4</sub><sup>+</sup> cation. Each thsa<sup>2-</sup> ligand binds  ...[more]

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