Structure determination of a metal-organic compound

This application note shows the results of the structure determination of the metal-organic compound bis(2-amino-3-hydroxy-1- phenylpropanolato-κ²N,O¹)(ethylenediamine-κ²N,N')-cobalt(III) iodide monohydrate, which was quickly and easily solved using the SCXmini. The complete data set was collected in less than four hours. While the structure in the original report gave very good residuals, the disorder in the ethylenediamine ligand was not resolved and the determination of the absolute structure was based only on a comparison of the R values given by the correct versus the inverted structure. This redetermination allows Flack parameter refinement to determine the absolute structure and allows resolution of disorder that was not defined in the earlier determination of the structure of this compound.