Crystallographic Information Framework

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Index

Restraints dictionary version 1.0

Category RESTR_EQUAL_ANGLE

Name:
'_restr_equal_angle_[]'

Definition:

   Items in this category list the atoms defining the angles
   that are restrained to be equal in the final refinement.

Example:

Example 1. 
 
    loop_
    _restr_equal_angle_atom_site_label_1
    _restr_equal_angle_site_symmetry_1
    _restr_equal_angle_atom_site_label_2   # Atom 2 is at the apex of the angle
    _restr_equal_angle_site_symmetry_2
    _restr_equal_angle_atom_site_label_3
    _restr_equal_angle_site_symmetry_3
    _restr_equal_angle_class_id
    _restr_equal_angle_detail
      C1 1_555  C2  1_555  C3 1_555 1  'Benzene ring with mirror symmetry'
      C2 1_555  C3  1_555  C4 2_655 2  ?
      C4 1_555  C5  1_555  C6 1_555 2  ?
      C5 1_555  C6  1_555  C1 1_555 1  ?


Type: null

Category: category_overview


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.