Issue 7, 2000

Molecular recognition in the solid state: topology of experimental and theoretical charge densities for tetrasulfur tetranitrideElectronic supplementary information (ESI) available: experimental details; listing of geometrical and topological parameters; fractional atomic coordinates and mean square atomic displacement parameters; multipole population coefficients; expansion and contraction coefficients; description of the local coordinate systems and basis set information. See http://www.rsc.org/suppdata/cc/a9/a910209o/

Abstract

Topological analysis of experimental and theoretical charge densities in tetrasulfur tetranitride clarifies features of the intramolecular bonding; intermolecular charge concentrations reveal directional ‘key–lock’ interactions corresponding to molecular recognition in the solid state.

Supplementary files

Article information

Article type
Communication
Submitted
20 Dec 1999
Accepted
06 Mar 2000
First published
22 Mar 2000

Chem. Commun., 2000, 635-636

Molecular recognition in the solid state: topology of experimental and theoretical charge densities for tetrasulfur tetranitride

W. Scherer, M. Spiegler, B. Pedersen, M. Tafipolsky, W. Hieringer, B. Reinhard, A. J. Downs and G. S. McGrady, Chem. Commun., 2000, 635 DOI: 10.1039/A910209O

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