title: Accurate H-atom parameters from X-ray diffraction data.
abstract: The difficulties in defining the positions and thermal parameters for hydrogen atoms using X-ray diffraction data alone are discussed.
authors.affiliation: School of Chemistry, University of Glasgow, Glasgow G12 8QQ, Scotland.
authors.forename: Louis J
authors.initials: LJ
authors.lastname: Farrugia
keywords: Hirshfeld atom refinement; aspherical atom-partitioning; density functional theory