Core dictionary (coreCIF) version 2.3.1

Category GEOM_ANGLE

Name:
'_geom_angle_[]'

Definition:

   Data items in the GEOM_ANGLE category record details about the
   bond angles as calculated from the ATOM,
   CELL and SYMMETRY data.
Example:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. 
 
    loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle_publ_flag
     C2  O1  C5   111.6(2)  1_555  1_555  1_555  yes
     O1  C2  C3   110.9(2)  1_555  1_555  1_555  yes
     O1  C2  O21  122.2(3)  1_555  1_555  1_555  yes
     C3  C2  O21  127.0(3)  1_555  1_555  1_555  yes
     C2  C3  N4   101.3(2)  1_555  1_555  1_555  yes
     C2  C3  C31  111.3(2)  1_555  1_555  1_555  yes
     C2  C3  H3   107(1)    1_555  1_555  1_555  no
     N4  C3  C31  116.7(2)  1_555  1_555  1_555  yes
    # - - - - data truncated for brevity - - - -


Type: null

Category: category_overview








































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