A screen with the single-crystal software Olex2

Software and Databases

A screen with the single-crystal software Olex2
Image: Phil Liebing

Structure solution and refinement with single-crystal data

ShelX: download after free registrationExternal link

Olex2: free downloadExternal link

Illustration of molecular aud crystal structures

Diamond: free demonstration version for downloadExternal link, institutional licence of the Institute for Inorganic and Analytical Chemistry (IAAC) for full version available (Request)

Mercury: free downloadExternal link

Databases

Cambridge Structural Database (CSD): biggest database for organic and metal-organic compoundsExternal link, staff members of the university Jena are authorized to obtain download link via the universities computing centreExternal link

Crystallography Open Database (COD): free database for crystal-structure data of inorganic, organic, and metal-organic compoundsExternal link