2018 CSD Data and Software Updates

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Written by

Suzanna Ward

Posted on

August 15, 2018

Here we describe the data and software updates provided for CSD users in 2018.

The Cambridge Structural Database Data Update - August 2018

Announcing the Aug 2018 data update of the Cambridge Structural Database (CSD)!  The CSD is the world's repository of experimentally determined organic and metal-organic crystal structures which is continually updated with new structures and with improvements to existing entries, keeping you fully informed of the latest research.  This data update brings you 10,950 new entries and the total size of the CSD to just over 960,000.

Our newly released CSD Statistics page shows the CSD in numbers.  Here you can find lots of interesting stats; including Top Journals, Top Authors and see that the number of unique structures in the CSD has just passed 940,000 (unique crystallographic data collections, not including republications).  We’re approaching the one millionth structure!  The trend suggests we’ll get there about July 2019, so get ready to celebrate, it might be your structure that’s the millionth!

            900,000th CSD entry refcode PATXEQ

CSD refcode PATXEQ (https://dx.doi.org/10.5517/ccdc.csd.cc1p8hq5)- the 900,000th entry added to the CSD


CSD refcode QIBPUP (https://dx.doi.org/10.5517/ccdc.csd.cc1q9b7l) is an entry in the Aug data update.  This structure was published by our Top Author of the Year, B.W.Skelton and in our Top Journal of the Year, Dalton Trans. (http://dx.doi.org/10.1039/C8DT00945G).  The entry is also one of the 167,238 that has been enriched with melting point physical property information.

CSD refcode QIBPUP (https://dx.doi.org/10.5517/ccdc.csd.cc1q9b7l)

This data update also comes with our third software update of 2018, you can find out more about this in our latest blog post – “CSD updates: Hitting our stride”.

Let us know if you have any feedback or questions about the latest software and data update.  Our next release will be available before the end of the year, consisting of the latest data update and the 2019 CSD software. As always, we are available via e-mail at support@ccdc.cam.ac.uk or through our CCDC social media channels (FacebookLinkedIn and Twitter).

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.

Visualisation of di-palladium complex, CSD refcode BEVCAJ

Visualisation 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.

Visualisation of
            ZIF-8 with O2 in the adsorption sites. CSD refcode NIFSEDVisualisation 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

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

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. 


CSD (105)

CSD Database (24)

CSD System (45)

Data Update (11)

Database (19)