crystallography

The Open Chemistry Database, OChemDb, is a web portal for the research and analysis of crystallochemical information relating to organic, inorganic, metallorganic compounds, and provides statistical information on bond distances, bond angles, torsion angles, types of atoms and space groups. To obtain the above information, OChemDb queries a database, appropriately designed, that contains crystalline structures already resolved.

EXPO is a software for the determination of the atomic structure of various materials (organic, metallorganic, inorganic), available in the form of microcrystalline powders, in order to derive the structure-property relationships. EXPO requires the molecular formula of the material, the experimental X-ray diffraction data and, in some cases, the expected molecular geometry.