Cambridge Crystallographic Database

Another recent database, still in evolution, is the Linus Pauling File (covering both metals and other inorganics) and, like the Cambridge Crystallographic Database, it has a "smart software part which allows derivative information, such as the statistical distribution of structures between symmetry types, to be obtained. Such uses are described in an article about the file (Villars et al. 1998). The Linus Pauling File incorporates other data besides crystal structures, such as melting temperature, and this feature allows numerous correlations to be displayed. 

Fig. 3. The hydrogen-bonded chain structure of (2-morpholinoethyDdiphenylsilanol with the hydrogen atoms omitted for clarity. Drawn using coordinates taken from the Cambridge Crystallographic Database. 

Fig. 14. The molecular structure of l,3-bis(diphenylhydroxysilyl)-2,2-dimethyl-4,4-diphenylcyclodisilazane, showing the orientation of the ortho -CH groups of one of the aromatic rings with respect to the SiO groups. Other hydrogen atoms have been omitted for clarity. Drawn using coordinates taken from the Cambridge Crystallographic Database.

Table 10. Output excerpt from a compound name search in the Cambridge Crystallographic Database showing independent occurrences of the search string solvent as a result of logical operations cross-referenced with different possible combinations of other denominations. (The final figure seems to be a pessimistic estimate)...

Analysis of intermolecular interactions in the crystal structures of oxime molecules has been used to answer that question. In all available complex structures with one central metal ion we found no coordinative bonds from the oxime oxygen to the metal, but exclusively coordination between the nitrogen atom and the metal ion (data were retrieved from the Cambridge Crystallographic Database [14]). In a comprehensive study Bohm et al. investigated complexes of oxazoles, methoxypyridines, and oxime ethers with water [15]. On the basis of interaction energies obtained... 

Structural evidence culled from the Cambridge Crystallographic Database have been incorporated where possible. The original stereochemical models have been reproduced, even those that have been improved by subsequent evidence. In many instances, a detailed description of the course of these processes is still lacking. Nowhere is this lack of information more striking than in the Cu(I) catalyzed cyclo-propanation of alkenes. 

Calutron separator, 25 415—416 Calycanthine, 2 99 Cambium, in flax fiber, 11 597 Cambridge Crystallographic Database, 6 9-10... 

PC2 M. B. Hursthouse, M. A. Mazid, and P. G. B. Page, Personal Gommunication to Cambridge Crystallographic Database,... 

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