Interpenetrating metal-organic and inorganic 3D networks: a computer-aided systematic investigation. Part II [1]. Analysis of the Inorganic Crystal Structure Database (ICSD)

• Published in: Journal of solid state chemistry Vol. 178; no. 8; pp. 2452 - 2474
• Main Authors: Baburin, I.A., Blatov, V.A., Carlucci, L., Ciani, G., Proserpio, D.M.
• Format: Journal Article
• Language: English
• Published: United States Elsevier Inc 01.08.2005
• Subjects: CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DATA COMPILATION; INORGANIC COMPOUNDS; Inorganic structures; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; Interpenetration; Network topology; ORGANOMETALLIC COMPOUNDS; TOPOLOGY; Interpenetration; Network topology; Inorganic structures
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/j.jssc.2005.05.029

Interpenetration in metal-organic and inorganic networks has been investigated by a systematic analysis of the crystallographic structural databases. We have used a version of TOPOS (a package for multipurpose crystallochemical analysis) adapted for searching for interpenetration and based on the concept of Voronoi–Dirichlet polyhedra and on the representation of a crystal structure as a reduced finite graph. In this paper, we report comprehensive lists of interpenetrating inorganic 3D structures from the Inorganic Crystal Structure Database (ICSD), inclusive of 144 Collection Codes for equivalent interpenetrating nets, analyzed on the basis of their topologies. Distinct Classes, corresponding to the different modes in which individual identical motifs can interpenetrate, have been attributed to the entangled structures. Interpenetrating nets of different nature as well as interpenetrating H-bonded nets were also examined. We report a systematic analysis of interpenetration in inorganic 3D structures from the Inorganic Crystal Structure Database (ICSD) analyzed on the basis of their topologies. Distinct Classes, corresponding to the different modes in which individual identical motifs can interpenetrate, have been attributed to the 144 cases found. Interpenetrating nets of different nature as well as interpenetrating H-bonded nets were also examined.