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Core CIF Dictionary version 2.3

_geom_contact_[]

Name

'_geom_contact_[]'

Category: category_overview

Data type: null

Examples:

    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

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

Definition

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


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