Chemical Crystallography (From Crystal Growth to Structure Publication)
- Crystal Handling
- Unit Cell Determination
- Full Data Collection
- Data Reduction/Corrections
- Structure Solution
- Structure Refinement
- Result Interpretation
- Publication
Useful Links
- CheckCif – to check Crystallographic Information File.
- Structure Tidy – to standardize crystal structure data.
- SHELXTL Tutorial – online tutorial including XPREP, SHELXS, SHELXL, XP.
- SHELX Manual – Shelx-97 online html documentation.
- To draw a high quality structure picture in ORTEP style.
- Some guidelines for publishing CIF at http://journals.iucr.org/e/issues/2003/01/00/me0208/index.html.
Crystal Structure Deposition
- Organics and metal-organics at CCDC, and;
- Inorganics and minerals at https://www.fiz-karlsruhe.de/en/produkte-und-dienstleistungen/das-kristallstrukturdepot. (The facility does not have ICSD, but there is CSD-for-WWW containing 3592 structures for free use)