PDBx/mmCIF
A Member of the wwPDB

Data Category valence_param

Browse:

General

Category name
valence_param
Required in PDB entries
no
Category group membership
chemical_group
Used in current PDB entries
No

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories

Category Description 

               Data items in the VALENCE_PARAM category define the
               parameters used for calculating bond valences from bond
               lengths.  In addition to the parameters, a pointer
               is given to the reference (in VALENCE_REF) from which
               the bond-valence parameters were taken.

Category Example

View/hide Example 
 
    loop_
    _valence_param.atom_1
    _valence_param.atom_1_valence
    _valence_param.atom_2
    _valence_param.atom_2_valence
    _valence_param.Ro
    _valence_param.B
    _valence_param.ref_id
    _valence_param.details
      Cu 2 O -2 1.679 0.37 a .
      Cu 2 O -2 1.649 0.37 j .
      Cu 2 N -3 1.64  0.37 m '2-coordinate N'
      Cu 2 N -3 1.76  0.37 m '3-coordinate N'
    loop_
    _valence_ref.id
    _valence_ref.reference
      a  'Brown & Altermatt (1985), Acta Cryst. B41, 244-247'
      j  'Liu & Thorp (1993), Inorg. Chem. 32, 4102-4205'
      m  'See, Krause & Strub (1998), Inorg. Chem. 37, 5369-5375'

Key Data Items

Category Data Items

View/hide item list