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CSDSymmetry - the most complete collation of observed molecular and crystallographic symmetry
properties to date.
CSDSymmetry is a relational database built using Microsoft Access. It contains information such as
molecular point group, space group, Z, Z' and the symmetry of the occupied Wyckoff position for each
of 466683 molecules of the CSD (up to Nov 2010 release, ConQuest version
1.12). Auxiliary tables
provide further information such as the symmetry operators of each of the 230 space groups and the
symmetry elements of each of 38 point groups. CSDSymmetry provides an extremely flexible source of
symmetry related information.
CSDSymmetry can be:
- Interrogated with a wide variety of user-defined queries, for example, "return all molecules that contain an inversion centre and that reside on a Wyckoff position of C2h (2/m) symmetry or "return all molecules with a mirror plane that are found on a 2-fold axis in a crystal structure"
- Used to Return hits from queries as a list of CSD refcodes which can then be used as the basis of a ConQuest search or viewed in Mercury
- Intersected with chemical or substructural searches performed in ConQuest
- Fully customised by the user with addition of further tables or fields
CSDSymmetry is available as a Microsoft Access 2007 file and is
available as a free download (terms and
conditions apply).
As a free service,
CCDC may be unable to provide support for CSDSymmetry.
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