Wikidata:Property proposal/COD ID

COD ID

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   Done: COD ID (P9824) (Talk and documentation)
DescriptionIdentifier of a crystal structure in the Crystallography Open Database (COD)
RepresentsCrystallography Open Database (Q1142422)
Data typeExternal identifier
Domainchemical compound (Q11173)
Allowed values[1-9][0-9]{6}
Example 1barium titanate (Q415484)1507756; 1540757
Example 2caffeine (Q60235)1505182; 5000108
Example 3serotonin (Q167934)1516168; 2019147
SourceThe Crystallography Open Database (https://www.crystallography.net/cod)
Planned useRelate chemical compounds with their 3D structures in crystals in the COD
Number of IDs in source~475 000
Expected completenesseventually complete (Q21873974)
Formatter URLhttps://www.crystallography.net/cod/$1.html
Proposed byAntanasV (talk) 13:39, 3 August 2021 (UTC)[reply]

Motivation

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Crystallography Open Database (Q1142422) (COD) is an open-access collection of experimentally determined small molecule crystal structures. The proposed property would link various chemicals, minerals, alloys, etc. to the corresponding crystal structures in the COD in a way that is most similar to the one already used to link entries from other open databases (i.e. PubChem (Q278487)/PubChem CID (P662), Protein Data Bank (Q766195)/PDB structure ID (P638), ChEMBL (Q6120337)/ChEMBL ID (P592), etc). This would facilitate easier access (i.e. via an infobox) to the interactive 3-D models as well as the original crystallographic data that can be downloaded and reused without any restrictions. AntanasV (talk) 13:39, 3 August 2021 (UTC)[reply]

  Notified participants of WikiProject Chemistry

Discussion

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Note that all entries are automatically linked to an interactive JSMol 3D display which can show ball-and-stick, surfaces, polyhedra, and symmetry-extended crystal structures (follow the links in the examples and left-click the display for options) Petermr (talk) 22:48, 4 August 2021 (UTC)[reply]