Results 251 to 260 of about 579,058 (319)

Organic solvates in the Cambridge Structural Database

CrystEngComm, 2021
Data informatics methods applied to the Cambridge Structural Database reveal shifting trends in solvate formation and inherent biases in the symmetry and packing fraction of solvates and their solvent-free analogues.
Jen E. Werner, Jennifer A. Swift
openaire   +2 more sources

New software for searching the Cambridge Structural Database and visualizing crystal structures

Acta Crystallographica Section B Structural Science, 2002
Two new programs have been developed for searching the Cambridge Structural Database (CSD) and visualizing database entries: ConQuest and Mercury. The former is a new search interface to the CSD, the latter is a high-performance crystal-structure visualizer with extensive facilities for exploring networks of intermolecular contacts. Particular emphasis
Ian J, Bruno, Jason C, Cole, Paul R, Edgington, Magnus, Kessler, Clare F, Macrae, Patrick, McCabe, Jonathan, Pearson, Robin, Taylor   +7 more
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Research Applications of the Cambridge Structural Database (CSD)

ChemInform, 2004
AbstractFor Abstract see ChemInform Abstract in Full Text.
Frank H, Allen, Robin, Taylor
openaire   +3 more sources

Hydration in Molecular CrystalsA Cambridge Structural Database Analysis

Crystal Growth & Design, 2003
The Cambridge Structural Database has been used to investigate the detailed environment of water molecules, hydrogen bonded to oxygen and nitrogen atoms, within molecular crystal hydrates. Eight coordination states of water have been investigated for 3315 structures, and hydrogen bond length and angle data were obtained and analyzed.
Gillon, Amy L., Feeder, Neil, Davey, Roger J., Storey, Richard   +3 more
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Cambridge Structural Database (CSD)

Comprehensive Coordination Chemistry III, 2021
Joseph Mitchell, Jennifer H. Robertson, Paul R. Raithby   +2 more
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Crystallization of chiral molecular compounds: what can be learned from the Cambridge Structural Database?

Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials, 2020
A detailed study on chiral compound structures found in the Cambridge Structural Database (CSD) is presented. Solvates, salts and co-crystals have intentionally been excluded, in order to focus on the most basic structures of single enantiomers ...
T. Rekis
semanticscholar   +1 more source

Searching the Cambridge Structural Database for polymorphs

Acta Crystallographica Section B Structural Science, 2005
In order to identify all pairs of polymorphs in the Cambridge Structural Database (CSD), a method was devised to automatically compare two crystal structures. The comparison is based on simulated powder diffraction patterns, but with special provisions to deal with differences in unit-cell volumes caused by temperature or pressure.
Jacco, van de Streek, Sam, Motherwell
openaire   +2 more sources