The X-ray crystallography group at the Organic Chemistry Laboratory, ETH Zurich offers crystal structure analysis for the LOC research groups. On the basis of research collaboration analyses are done with other departements and Universities as capacity is available.
Members of the LOC fill in an X-ray analysis request form signed by the group Leader. The X-ray analysis form can be downloaded as a PDF or DOC file.You find it as well in your research group folder on the X-ray data server.
For questions and advice please contact the LOC X-ray team.
Every research group has an access code and password for the X-Ray data server. Each analysis gets a Structure Identification (strid). The data of the X-ray analysis is stored in a directory labeled with strid. Because of different software used for X-ray analysis you may find the same information stored on files with different format (mostly older or more complex structures). However you obtain all necessary data for publication and deposition for the CCDC.
ASCII for tables, CIF file and atom coordinates file shelxl.res (can be opened by any editing program and word processor). Reports from the new Bruker software comes as HTML with embedded interactive jmol graphics.
RTF (Rich Text Format) for the Structure Report file (can be opened by common word processors and editing programs). HTML can be opend by your favorite web browser.
POST SCRIPT (or PDF) for illustrations
Plot and Structure Analysis Software
For a study of the crystal structure and intermolecular interactions the software must accept coordinates in the crystal system. Two free available very powerful programs for popular operating systems (LINUX, Mac OS, Windows) are MERCURY from the Cambridge Crystallographic Data Base (CCDC) and Ton Speks PLATON.
Free Interactive Course in Crystallography
A very nice software package to learn crystallography has been developed at the EPFL.
