Powell, Robyn E., Stöger, Berthold, Knoll, Christian, Müller, Danny, Weinberger, Peter and Koningsbruggen, Petra J. Van (2020). Ammonium bis(salicylaldehyde thiosemicarbazonato)ferrate(III), a supramolecular material containing low-spin FeIII. Acta Crystallographica Section C: Structural Chemistry, 76 (6), pp. 625-631.
Abstract
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.
Publication DOI: | https://doi.org/10.1107/S2053229620006452 |
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Divisions: | College of Engineering & Physical Sciences > School of Infrastructure and Sustainable Engineering > Chemical Engineering & Applied Chemistry |
Additional Information: | © 2020 The Authors. CC BY |
Uncontrolled Keywords: | MDO,ammonium,crystal structure,iron(III),low spin,maximum degree of disorder,order-disorder,Condensed Matter Physics,Physical and Theoretical Chemistry,Inorganic Chemistry,Materials Chemistry |
Publication ISSN: | 2053-2296 |
Last Modified: | 30 Sep 2024 12:26 |
Date Deposited: | 03 Jun 2020 13:56 |
Full Text Link: | |
Related URLs: |
http://scripts. ... 053229620006452
(Publisher URL) http://www.scop ... tnerID=8YFLogxK (Scopus URL) |
PURE Output Type: | Article |
Published Date: | 2020-06-01 |
Published Online Date: | 2020-06-01 |
Accepted Date: | 2020-05-13 |
Authors: |
Powell, Robyn E.
Stöger, Berthold Knoll, Christian Müller, Danny Weinberger, Peter Koningsbruggen, Petra J. Van ( 0000-0001-9366-1913) |