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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
_geom_torsion.angle
Name:_geom_torsion.angle
Aliases:
_geom_torsion
_geom_torsion.value
Definition:
Angle defined by the listed sites and accompanying symmetry operation codes.
The torsion-angle definition should be that of Klyne and Prelog.
The vector direction _geom_torsion.atom_site_label_2 to
_geom_torsion.atom_site_label_3 is the viewing
direction, and the torsion angle is the angle of twist required
to superimpose the projection of the vector between site 2 and
site 1 onto the projection of the vector between site 3 and
site 4. Clockwise torsions are positive, anticlockwise torsions
are negative.
Reference: Klyne, W. & Prelog, V. (1960). Experientia, 16, 521-523.
Type: Real
Units: degrees
The permitted range is -180.0 → 180.0
Category:
geom_torsion