CSD is the world’s leading repository of small organic and metal-organic crystal structures with over 500,000 x-ray and neutron diffraction analyses. Each structure within the CSD undergoes extensive validation and cross-checking via automated workflows and through manual curation by expert chemists and crystallographers. This means you can trust that all the data within the CSD is accurate, consistent and high-quality.
In addition, all the data is enriched with bibliographic, chemical and physical property information, adding further value to the original structural data, enabling you to interpret structures in a chemically significant way.
You can search and browse crystal strcutures and associated information in CSD through WebCSD.
Search Functionality of WebCSD
What can you not do through WebCSD?
Learn more about WebCSD through their online tutorial videos here.
USC subscribes both to the online web version and desktop version for Windows, Mac OS, and Linux. The majority of users will be best served by using the web version of CSD, but if your research requires an offline, desktop version of CSD, please contact the Chemistry Librarian, firstname.lastname@example.org, for more information.
PDB provides access to 3D structure data for large biological molecules (proteins, DNA, and RNA). These are the molecules of life, found in all organisms on the planet. Knowing the 3D structure of a biological macromolecule is essential for understanding its role in human and animal health and disease, its function in plants and food and energy production, and its importance to other topics related to global prosperity and sustainability.
The Inorganic Crystal Structure Database (ICSD) is a database of the crystal structures of inorganic substances, including pure elements, metals, minerals, and other purely inorganic substances. No organic or organometallic substances appear.
How Do I Search?
How Do I Interpret My Results
The results will be presented as a list of substances that have published crystal structures. The default presentation for this list is the Brief View, which includes the substance's ICSD accession number, the HMS, the structural formula and type of crystal, and information about the document in which the structure was published. You will see a blue star beside every entry that is deemed to be high-quality data, and each entry ends in a little computer disk icon that you can click to download the .cif file.
Check the boxes beside any of the results that particularly interest you. In the left-most column, an option will open in the Navigation section to allow you to get a Detailed View of all the substances that you've checked. This gives you much more detailed information, including the ability to examine the individal bond lengths and angles in the unit cell.