Ananyev, Ivan; Pidko, Evgeny (2020): Intermolecular contacts for 224 001 molecular crystals from Cambridge Structural Database. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:33c65813-e9ef-41f1-910c-660d18ecf097

Dataset

• Physical Chemistry (incl. Structural)
• Theoretical and Computational Chemistry

Cambridge Structural Database (CSD), CSD, intermolecular contacts, molecular crystals

CC0

RefWorks, BibTeX, Reference Manager, Endnote, DataCite, NLM, DC, CFF

by Ivan Ananyev , Evgeny Pidko

The dataset consists of 96 enumerated csv-files with data on all intermolecular contacts shorter than 7 Å for 224 001 CSD entries analyzed in the corresponding work on van der Waals radii

• 2020-01-08 first online, published, posted

4TU.Centre for Research Data

media types: application/zip, text/csv, text/plain

• https://doi.org/10.1002/cphc.201901083

TU Delft, Faculty of Applied Sciences, Department of Chemical Engineering