Crystallographic Information Framework

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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_geom_torsion_

Names:
'_geom_torsion_max' '_geom_torsion_min' '_geom_torsion_av'

Definition:

   Maximum, minimum and average torsion angles in degrees bounded
   by the four atom sites identified by the
   _geom_torsion_atom_site_label_ codes. These must match labels
   specified as _atom_site_label in the atom list. The torsion-
   angle definition should be that of Klyne and Prelog (1960).

   Ref: Klyne, W. & Prelog, V. (1960). Experientia, 16, 521-523.

Appears in list containing _geom_torsion_atom_site_label_

Type: numb

Category: geom_torsion


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.