Software ConQuest

The April 2001 version of the CCSD database was searched using the Windows software Conquest 1.2. The database was searched for nonionic compounds containing Pb with an R-factor <0.05 and no disorder. Lead-to-donor distance criterion was set for 0-3.50 A. A subsearch was done to select for compounds with Pb(II). A total of 295 compounds were found. 

The CSD system, comprising the complete database, together with ConQuest, Mercury. Vista. IsoStar, and PreQuest (software for database creation) is available on CD for Unix, Linux, and Windows platforms, and full subscription details can be found at http //www.ccdc. cam.ac.uk/ or by e-mailing admin ccdc.cam.ac.uk. The web site also contains full details of other CSD-related products. Data for individual crystal structures are freely available on request for bona fide research use, by citing CCDC Deposition Numbers (printed in many journals) and bibliographic information. Full details of this service are given at http /lwww.ccdc.cam.ac.uW. 

Clearly, this is a task that is beyond manual manipulation of the ConQuest software, becoming intractable at step (4). To automate this type of process, the GRX program has been developed [35],... 

In both cases the crystallographic data can easily be extracted and analysed by many different commercial available or free software, but perhaps easiest as a first option is Mercury (that works directly with ConQuest), [12] obtainable free of charge for academic users from the Cambridge Crystallography Data Centre (CCDC), the providers of the CSD. From the identification of a candidate structure in the CSD, the determination of its dimensionality using Mercury is often a matter of a few minutes (per compound A systematic study will take many hours). See further Chapter 13. 

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