Materials chemistry communications. Ab initio determination of molecular structures using high-resolution powder diffraction data from a laboratory X-ray source

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Abstract
An ab initio determination of the structure of molecular materials using a laboratory X-ray powder diffractometer has been undertaken. Two simple molecules of unknown structure were selected specifically to demonstrate structure solution of both organometallic and organic materials by Patterson and direct methods, respectively, viz.[(C5H5)Fe(C5H4CH2NMe3)]+ I–(1) and P-CH3C6H4SO2NH2(2).