Acta Cryst. (2005). B61, 174-184 [ doi:10.1107/S0108768105002247 ]
Abstract: A set of 112 993 structures was analysed for a specific type of packing: Molecular structures for which the centres of molecules form layers of centred hexagons exceed a percentage of 30%. This result has been obtained by a newly developed algorithm, allowing the extraction of these structures automatically and showing correlations between molecular shape and the type of packing.
Keywords: packing; molecular shape; layers; centred hexagons.
![]() ![]() Text file (794.2 kbytes) | |
![]() ![]() Text file (258.5 kbytes) | |
![]() ![]() Text file (139.8 kbytes) | |
To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.
The download button will force most browsers to prompt for a file name to store the data on your hard disk.
Where possible, images are represented by thumbnails.
Copyright © International Union of Crystallography
IUCr Webmaster