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Ammonium bis(salicylaldehyde thiosemicarbazonato)ferrate(III), a supramolecular material containing low‐spin Fe III
Author(s) -
Powell Robyn E.,
Stöger Berthold,
Knoll Christian,
Müller Danny,
Weinberger Peter,
Koningsbruggen Petra J. van
Publication year - 2020
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229620006452
Subject(s) - salicylaldehyde , crystallography , chemistry , crystal structure , octahedron , supramolecular chemistry , imine , ligand (biochemistry) , ammonium , ion , chromophore , stereochemistry , schiff base , photochemistry , catalysis , organic chemistry , biochemistry , receptor
The synthesis and crystal structure (100 K) of the title compound, ammonium bis[salicylaldehyde thiosemicarbazonato(2−)‐κ 3 O , N 1 , S ]iron(III), NH 4 [Fe(C 8 H 7 N 3 OS) 2 ], is reported. The asymmetric unit consists of an octahedral [Fe III (thsa) 2 ] − fragment, where thsa 2− is salicylaldehyde thiosemicarbazonate(2−), and an NH 4 + cation. Each thsa 2− ligand binds via the thiolate S, the imine N and the phenolate O donor atoms, resulting in an Fe III S 2 N 2 O 2 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 Fe III 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.