checkCIF procedure

PLAT410


PLAT410 Type_2 Test for short non-bonding intra H..H contacts
 Short intramolecular contacts may arise when H-atoms are in (false)
 calculated positions. Short intramolecular contacts may also be a sign for a   
 false structure with the molecule sitting on a site with improper site 
 symmetry (e.g. '2' instead of '-1') which may happen when a lattice
 translation is missed. Short contacts are defined using a van der Waals
 radius of 1.2 Angstrom. For intramolecular contacts alerts are generated   
 for contacts less than 2.0 Angstrom.   
Follow IUCr Journals
Sign up for e-alerts
Follow us on facebook
Sign up for RSS feeds