Crystal structure databases to have single portal | April 3, 2017 Issue - Vol. 95 Issue 14 | Chemical & Engineering News
Volume 95 Issue 14 | p. 8 | News of The Week
Issue Date: April 3, 2017 | Web Date: March 29, 2017

Crystal structure databases to have single portal

Organizations developing one-stop data deposition and search tool for organic and inorganic species
Department: Science & Technology
Keywords: analytical chemistry, Materials, Inorganic chemistry, Metal-organic frameworks, Electronic materials, Synthesis, crystallography, crystal structure
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Structure of the oxalate mineral stepanovite, which is a naturally occurring metal-organic framework composed of [NaFe(C2O4)3]2– with [Mg(H2O)6]2+ in the pores (Sci. Adv. 2016, DOI: 10.1126/sciadv.1600621). This structure is in CSD.
Credit: Tomislav Friščić/McGill U
Structure of stepanovite.
 
Structure of the oxalate mineral stepanovite, which is a naturally occurring metal-organic framework composed of [NaFe(C2O4)3]2– with [Mg(H2O)6]2+ in the pores (Sci. Adv. 2016, DOI: 10.1126/sciadv.1600621). This structure is in CSD.
Credit: Tomislav Friščić/McGill U

Two of the main crystallographic structure databases, the Cambridge Structural Database (CSD) and the Inorganic Crystal Structure Database (ICSD), will have a single portal for users to deposit and search for data starting later this year, their operating organizations announced on March 27.

CSD contains 875,000 entries for organic and metal-organic species and is operated by the Cambridge Crystallographic Data Centre in England. ICSD contains 187,000 inorganic structures and is operated by FIZ Karlsruhe—Leibniz Institute for Information Infrastructure.

The ability to search both databases simultaneously “will be of tremendous value for researchers, especially those that work at the interface of organic, inorganic, and coordination chemistry,” comments Tomislav Friščić, a chemistry professor at McGill University and a member of the governing council of the American Crystallographic Association. “Modern chemical science is all about crossing borders and interfaces, so this is really a constructive and timely development.”

“All of the existing expert data curation and publishing processes will remain in place” to ensure high-quality information, the database operators say in a press release. “The new joint deposition and access portals will be built in Cambridge and based on the Cambridge Crystallographic Data Centre’s recently developed infrastructure for data deposition, processing, searching, and sharing, all extended to meet the needs of the inorganic chemistry community.”

 
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Comments
Ray Butcher (Wed Mar 29 16:49:32 EDT 2017)
Yes a great idea but how much will it cost. For an individual CSD is expensive but marginally manageable but the ICSD is prohibitively expensive.
Scott Oliver (Wed Mar 29 18:15:56 EDT 2017)
Finally! But the data should be open access, like they've done for protein crystal structures. There should be no fees for data discovered by others and usually with government funding.

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