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A Database of Topological Representations of Polynuclear Nickel Compounds
Author(s) -
Wix Paul,
Kostakis George E.,
Blatov Vladislav A.,
Proserpio Davide M.,
Perlepes Spyros P.,
Powell Annie K.
Publication year - 2013
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201201348
Subject(s) - chemistry , nickel , cluster (spacecraft) , representation (politics) , database , topology (electrical circuits) , symbol (formal) , combinatorial chemistry , crystallography , combinatorics , computer science , organic chemistry , mathematics , politics , political science , law , programming language
All coordination clusters containing five or more Ni centers (CCDC v. 5.33, Nov. 2011) were analyzed by a recently developed automatic method that identified 318 compounds adopting 126 topologically different motifs. A database was created in which all of the Ni compounds are collected and illustrated in such a way that it can be searched by cluster topological symbol and nuclearity, compound name, year, and Refcode, as well as by their representation in the Protein Data Bank. Structural comparisons and applications to show the advantages of this method are also presented.