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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
Category CHEMICAL_CONN_BOND
Name:'CHEMICAL_CONN_BOND'
Parent category:
CHEMICAL
Definition:
Data items in the CHEMICAL_CONN_BOND category specify the connections
between the atom sites in the CHEMICAL_CONN_ATOM list and the nature
of the chemical bond between these atoms. These are details about
the two-dimensional (2D) chemical structure of the molecular species.
They allow a 2D chemical diagram to be reconstructed for use in a
publication or in a database search for structural and substructural
relationships.
Category is of type Loop
Category keys:_chemical_conn_bond.atom_1
_chemical_conn_bond.atom_2
This category contains the following items
