Inorganic Chemistry, Vol.52, No.8, 4154-4156, 2013
Avoiding Magnetochemical Overparametrization, Exemplified by One-Dimensional Chains of Hexanuclear Iron(III) Pivalate Clusters
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.