title: Avoiding magnetochemical overparametrization, exemplified by one-dimensional chains of hexanuclear iron(III) pivalate clusters.
abstract: One-dimensional chain coordination polymers based on hexanuclear iron(III) pivalate building blocks and 1,4-dioxane (diox) or 4,4'-bipyridine (4,4'-bpy) bridging ligands, [Fe6O2(O2CH2)(O2CCMe3)12(diox)]n (1) and [Fe6O2(O2CH2)(O2CCMe3)12(4,4'-bpy)]n (2), showcase the utility of the angular overlap model, implemented in the program wxJFinder, in the predictive identification of the relative role of intra- and intercluster coupling.
authors.affiliation: Institute of Inorganic Chemistry, RWTH Aachen University, 52074 Aachen, Germany.
authors.forename: Svetlana G
authors.initials: SG
authors.lastname: Baca
authors.forename: Tim
authors.initials: T
authors.lastname: Secker
authors.forename: Annabel
authors.initials: A
authors.lastname: Mikosch
authors.forename: Manfred
authors.initials: M
authors.lastname: Speldrich
authors.forename: Jan
authors.initials: J
authors.lastname: van Leusen
authors.forename: Arkady
authors.initials: A
authors.lastname: Ellern
authors.forename: Paul
authors.initials: P
authors.lastname: Kögerler