Core dictionary (coreCIF) version 2.3.1

Category GEOM_CONTACT

Name:
'_geom_contact_[]'

Definition:

   Data items in the GEOM_CONTACT category record details about
   interatomic contacts as calculated from the
   ATOM, CELL and SYMMETRY data.

Example:

Example 1 - based on data set CLPHO6 of Ferguson, Ruhl, McKervey & Browne [Acta Cryst. (1992), C48, 2262-2264].

 
    loop_
     _geom_contact_atom_site_label_1
     _geom_contact_atom_site_label_2
     _geom_contact_distance
     _geom_contact_site_symmetry_1
     _geom_contact_site_symmetry_2
     _geom_contact_publ_flag
     O(1)  O(2)     2.735(3)  .  .  yes
     H(O1) O(2)     1.82      .  .  no

Type: null

Category: category_overview