Deducing chemical structure from crystallographically determined atomic coordinates

Acta Crystallographica Section B: Structural Science

Volumn 67, Issue 4, 2011, Pages 333-349

  Bruno, Ian J ^a   Shields, Gregory P ^a   Taylor, Robin ^b  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^b Taylor Cheminformatics Software   (United Kingdom)

Author keywords

Bayesian statistics; Cambridge Structural Database; catena structure; disorder resolution; structure assignment

Indexed keywords

AROMATICITIES; ATOMIC COORDINATE; BAYESIAN STATISTICS; BOND TYPE; CAMBRIDGE STRUCTURAL DATABASES; CATENA STRUCTURES; CHEMICAL INFORMATION; DIAGNOSTIC INFORMATION; DISORDER RESOLUTION; HAPTICITIES; IMPROVED ALGORITHM; METAL COORDINATION NUMBERS; METAL LIGANDS; METALLO-ORGANIC; OXIDATION STATE; POLYMER UNITS; REDOX-ACTIVE LIGAND;

ALGORITHMS; DATABASE SYSTEMS; LIGANDS; STRUCTURAL ANALYSIS; STRUCTURE (COMPOSITION);

CRYSTAL ATOMIC STRUCTURE;

EID: 79960691556     PISSN: 01087681     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108768111024608     Document Type: Article

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