The Open Chemistry Database, OChemDb, is a web portal aiming at providing statistical analysis of desired crystal-chemical information, specifically bond distances, bond angles, torsion angles, atom types and space groups. Its easy use well assist the procedure of carefully checking the chemical bonding of a crystal structure. That is useful, e.g., for final assessing of the reliability of the solution of a new structure, for investigating the uncertain nature of a chemical bond, for estimating reasonable bond distances and angles to be used as chemical restraints in the refinement process. OChemDb includes and uses a database which is built from the crystal-chemical information contained in the free small-molecule database COD (The Crystallography Open Database; Gražulis et al., 2012; http://www.crystallography.net/cod/).
Registered users can freely use OChemDb at this link.
Reference to OChemDb:
A. Altomare, N. Corriero, C. Cuocci, A. Falcicchio, A.Moliterni, R. Rizzi “OChemDb: the free on-line Open Chemistry Database portal for searching and analysing crystal structure information” J. Appl. Cryst. (2018). In press.
Examples of graphical output of OChemDb follow: