The Cambridge Structural Database Data Update - May 2018

We are delighted to announce the release of the May 2018 data update of the Cambridge Structural Database (CSD). With 14,411 new entries, this update rather excitingly brings the total size of the CSD to over 950,516 entries. 

This update contains over 900 CSD Communications, these structures are given a citable DOI, links from third party repositories and indexes such as the Clarivate Data Citation Index and of course get a thorough review by our expert Scientific Editorial Team before entering the CSD.  A recent example is this di-palladium complex featuring bridging bromide and chelating N-heterocyclic carbene ligands, published by Brian Skelton and co-workers.

CSD refcode BEVCAJVisualisation of di-palladium complex (CSD refcode BEVCAJ, https://dx.doi.org/10.5517/ccdc.csd.cc1z94v8)

We have once again also updated our subset of Metal-Organic Framework (MOF) structures.  The subset now contains an extra 1,584 entries taking the current total to over 88,000. One of the structures added was published by Claire Hobday and co-workers as part of a study of gas adsorption behaviour of ZIF-8 is shown below.

CSD refcode NIFSED

Visualisation of ZIF-8 with O2 in the adsorption sites (CSD refcode NIFSED, https://dx.doi.org/10.5517/ccdc.csd.cc1q0hs0)

Once again alongside this data update we are releasing an update of the associated software, you can find out more at our blog post.

The Cambridge Structural Database Data Update - February 2018

We are delighted to announce the release of the February 2018 data update of the Cambridge Structural Database (CSD). With 20,004 new entries, this update brings the total size of the CSD to over 936,000 entries.

The data update contains over 4,500 entries published in 2018, demonstrating that your CSD database is up to date with the most recently-published structures. This includes a highly unusual quintuple[6]helicene recently reported in Angewandte Chemie International Edition, which was shown to adopt a C5-symmetric propeller-shaped structure.

  

 

Propeller-shaped structure of quintuple[6]helicene (CSD refcode METDIB, https://dx.doi.org/10.5517/ccdc.csd.cc1q8fjy)

 

The update spans organometallic, metal-organic and organic structures providing a wealth of information useful for a wide range of chemistry interests. All entries have been enhanced and validated at the CCDC to provide high quality results you can trust. An example of this can be seen in the database entry of a manganese-selenate complex which includes additional information showing the structure to be an ordered low temperature polymorph that undergoes a reversible phase transition.

 

Structure of the low temperature polymorph of a manganese-selenate complex (CSD refcode JEMYOS, https://dx.doi.org/10.5517/ccdc.csd.cc1n9szq)

Alongside this data update we are also releasing an update of the associated software. To find out more about the software update and our move towards more frequent releases for desktop software see the More Frequent CSD Software Releases blog post. 


Installing the updates

The CSD software suites have a built-in auto-update mechanism that makes updating the data and software easy and will also notify you if an update is available. More information is available via our Support section

If you would prefer to download and install an update manually, then all of our updates are also made available via the 'Data & Software Updates' section of our Downloads page.