期刊
CRYSTENGCOMM
卷 13, 期 12, 页码 3947-3958出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0ce00636j
关键词
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资金
- Cariplo Foundation & Landau Network-Centro Volta (Como, Italy)
- University of Padova
- MIUR
We discuss a recently developed approach to formalize the analysis of extended architectures by successive simplifications of a crystal structure perceived as a periodic net. The approach has been implemented into the program package TOPOS that allows one to simplify and classify coordination polymers of any complexity in an automated mode. Using TOPOS, we retrieved 6620 3-periodic coordination polymers from the Cambridge Structural Database and represented them in a standard way as underlying nets. The topological classification of both 975 interpenetrating and 5645 single 3-periodic underlying nets has been performed and compared. The up-to-date methods for prediction of the topology of underlying nets are discussed and the ways to develop reticular chemistry are outlined.
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