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Core CIF Dictionary version 2.3

_geom_torsion_[]

Name

'_geom_torsion_[]'

Category: category_overview

Data type: null

Examples:

    loop_
     _geom_torsion_atom_site_label_1
     _geom_torsion_atom_site_label_2
     _geom_torsion_atom_site_label_3
     _geom_torsion_atom_site_label_4
     _geom_torsion
     _geom_torsion_site_symmetry_1
     _geom_torsion_site_symmetry_2
     _geom_torsion_site_symmetry_3
     _geom_torsion_site_symmetry_4
     _geom_torsion_publ_flag
     C(9)  O(2)  C(7)   C(2)    71.8(2)  .  .  .  .      yes
     C(7)  O(2)  C(9)   C(10) -168.0(3)  .  .  .  2_666  yes
     C(10) O(3)  C(8)   C(6)  -167.7(3)  .  .  .  .      yes
     C(8)  O(3)  C(10)  C(9)   -69.7(2)  .  .  .  2_666  yes
     O(1)  C(1)  C(2)   C(3)  -179.5(4)  .  .  .  .      no
     O(1)  C(1)  C(2)   C(7)    -0.6(1)  .  .  .  .      no

Example 1 - based on data set CLPHO6 of Ferguson, Ruhl, McKervey & Browne [(1991). Acta Cryst. C48, 2262-2264].

Definition

    	
   Data items in the GEOM_TORSION category record details about
   interatomic torsion angles, as calculated from the contents of
   the ATOM, CELL, and SYMMETRY data.
 


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