The synthesis and crystal structure (100 K) of the title compound, ammonium bis[salicylaldehyde thiosemicarbazonato(2−)-κ3O,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.
|Number of pages||7|
|Journal||Acta Crystallographica Section C: Structural Chemistry|
|Early online date||1 Jun 2020|
|Publication status||Published - 1 Jun 2020|
Bibliographical note© 2020 The Authors. CC BY
- ammonium; iron(III); crystal structure; low spin; order-disorder; maximum degree of disorder; MDO.
Powell, R. E., Stöger, B., Knoll, C., Müller, D., Weinberger, P., & Koningsbruggen, P. J. V. (2020). Ammonium bis(salicylaldehyde thiosemicarbazonato)ferrate(III), a supramolecular material containing low-spin FeIII. Acta Crystallographica Section C: Structural Chemistry, 76(6), 625-631. https://doi.org/10.1107/S2053229620006452