Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes

Stacking interactions of phenanthroline square-planar complexes in crystal structures were studied by analyzing data from the Cambridge Structural Database. In most of the crystal structures, two phenanthroline complexes were oriented “head to tail.” Phenanthroline complexes show a wide range of ove...

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Bibliographic Details
Published in:Journal of molecular modeling 2011-08, Vol.17 (8), p.2083-2092
Main Authors: Janjić, Goran V., Petrović, Predrag V., Ninković, Dragan B., Zarić, Snežana D.
Format: Article
Language:English
Subjects:
Characterization and Evaluation of Materials
Chemistry
Chemistry and Materials Science
Computer Appl. in Life Sciences
Computer Applications in Chemistry
Coordination Complexes - chemistry
Crystallography, X-Ray
Ligands
Models, Molecular
Molecular Medicine
Molecular Structure
Original Paper
Phenanthrolines - chemistry
Theoretical and Computational Chemistry
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Summary:Stacking interactions of phenanthroline square-planar complexes in crystal structures were studied by analyzing data from the Cambridge Structural Database. In most of the crystal structures, two phenanthroline complexes were oriented “head to tail.” Phenanthroline complexes show a wide range of overlap geometries in stacking interactions, while short metal–metal distances were not observed. Stacking chains with alternating overlaps were the predominant type of packing in the crystal structures.
ISSN:1610-2940
0948-5023
DOI:10.1007/s00894-010-0905-3