Hydrogen atoms in bridging positions from quantum crystallographic refinements: influence of hydrogen atom displacement parameters on geometry and electron density
Lorraine A. Malaspina, Anna A. Hoser, Alison J. Edwards, M. Woińska, Michael J. Turner, Jason R. Price∥, Kunihisa Sugimoto, Eiji Nishibori, Hans‐Beat Bürgi, Dylan Jayatilaka, Simon Grabowsky
Abstract
Hydrogen atom positions can be obtained accurately from X-ray diffraction data of hydrogen maleate salts <italic>via</italic> Hirshfeld atom refinement.
Topics & Concepts
Bridging (networking)Hydrogen atomHydrogenCrystallographyAtom (system on chip)ElectronGeometryElectron densityDisplacement (psychology)Materials scienceAtomic physicsMolecular physicsChemistryPhysicsGroup (periodic table)MathematicsQuantum mechanicsEmbedded systemPsychologyPsychotherapistOrganic chemistryComputer networkComputer scienceCrystallography and molecular interactionsX-ray Diffraction in CrystallographyAdvanced Chemical Physics Studies