Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

_geom_hbond_atom_site_label_

Names:
'_geom_hbond_atom_site_label_D' '_geom_hbond_atom_site_label_H' '_geom_hbond_atom_site_label_A'

Definition:

   The labels of three atom sites (respectively, the donor atom,
   hydrogen atom and acceptor atom) participating in a hydrogen
   bond. These must match labels specified as _atom_site_label
   in the atom list.

Appears in list as essential element of loop structure

Must match data name_atom_site_label

Type: char

Category: geom_hbond


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.