The state of the art in powder diffraction structure analysis is demonstrated by a full crystal structure refinement of toluene (Vc= 1116.21 Å3) using high resolution neutron powder diffraction data that involves the accurate refinement of 274 parameters which include 48 hydrogen atom coordinates and 180 atomic displacement parameters.
R. M. Ibberson, W. I. F. David and M. Prager, J. Chem. Soc., Chem. Commun., 1992, 1438 DOI: 10.1039/C39920001438
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