International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)


Index

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








































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