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SHELXTL PLUS. Version G. M. Sheldrick
G. M. Sheldrick, SHELXTL PLUS. Version 5.10 (Bruker AXS Inc., Madison, WI, USA).
- Publisher
- Springer Journals
- Copyright
- 2008 Pleiades Publishing, Ltd.
- ISSN
- 1063-7745
- eISSN
- 1562-689X
- DOI
- 10.1134/S1063774508020053
- Publisher site
- See Article on Publisher Site
Abstract
Abstract Detailed study of the nature of weak coordination K-O interactions and strong O-H···O hydrogen bonds and estimation of their energy in a potassium hydrophthalate crystal have been performed on the basis of the topological analysis of the electron density distribution function, obtained from precise X-ray diffraction study at 100 K (R1 = 0.0110), within Bader’s “Atoms in Molecule” theory. It is shown that the charge transfer accompanying the formation of cation···anion associates in the crystal is only 0.05 e.
Journal
Crystallography Reports – Springer Journals
Published: Mar 1, 2008