Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

_atom_site_attached_hydrogens

Name:
'_atom_site_attached_hydrogens'

Definition:

   The number of hydrogen atoms attached to the atom at this site
   excluding any hydrogen atoms for which coordinates (measured or
   calculated) are given.

Examples:

2 water oxygen
1 hydroxyl oxygen
4 ammonium nitrogen

Appears in list containing _atom_site_label
The permitted range is 0 -> 8
Enumeration default: 0

Type: numb

Category: atom_site


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.