H‑Atom Assignment and Sb–O Bonding of [Mes3SbOH][O3SPh] Confirmed by Neutron Diffraction, Multipole Modeling, and Hirshfeld Atom Refinement

Neutron wavelength-resolved Laue diffraction experiments permit accurate refinement of the H-atom positions and anisotropic displacement parameters of [Mes3SbOH]­[O3SPh]. A multipole-based charge density refinement and a topological analysis of the refined electron density were also performed. Hirsh...

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Veröffentlicht in:	Inorganic chemistry 2021-11, Vol.60 (21), p.16048-16052
Hauptverfasser:	Wenger, John S, Wang, Xiaoping, Johnstone, Timothy C
Format:	Artikel
Sprache:	eng
Schlagworte:	Crystal structure Electron density INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Mathematical methods Neutron diffraction X-rays
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