International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)


Index

Core dictionary version 3.3.0

Category DATABASE_RELATED

Name:
'DATABASE_RELATED'

Parent category:
PUBLICATION

Definition:

   
    Data items in the DATABASE_RELATED category record entries in
    databases that describe the same or related data. Databases wishing
    to insert their own canonical codes when archiving and delivering
    data blocks should use items from the DATABASE category.

Example:

The loop relates a specific instance of a theophylline crystal structure to corresponding entries in the COD and CSD crystallographic databases as well as to the general description of the theophylline compound in the CAS registry. Based on the structure of anhydrous theophylline published by Ebisuzaki, Y. et al. (1997). Acta Cryst. C53, 777-779. https://doi.org/10.1107/S0108270197001960
    loop_
      _database_related.id
      _database_related.database_id
      _database_related.entry_code
      _database_related.relation
      _database_related.special_details
       1 CAS 58-55-9  Other     'Describes the same compound.'
       2 COD 2006182  Identical .
       3 CSD BAPLOT01 Identical .

Category is of type Loop

Category key:
    _database_related.id








































to end of page
to top of page