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Core CIF Dictionary version 2.3

_geom_bond_[]

Name

'_geom_bond_[]'

Category: category_overview

Data type: null

Examples:

    loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_distance
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_publ_flag
      O1  C2   1.342(4)  1_555  1_555  yes
      O1  C5   1.439(3)  1_555  1_555  yes
      C2  C3   1.512(4)  1_555  1_555  yes
      C2  O21  1.199(4)  1_555  1_555  yes
      C3  N4   1.465(3)  1_555  1_555  yes
      C3  C31  1.537(4)  1_555  1_555  yes
      C3  H3   1.00(3)   1_555  1_555  no
      N4  C5   1.472(3)  1_555  1_555  yes
    # - - - - data truncated for brevity - - - -

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [(1991). Acta Cryst. C47, 2276-2277].

Definition

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


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