articleChemistry of MaterialsMar 14, 2017GREEN OA

Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future

PZPeyman Z. MoghadamALAurelia LiSBSeth B. WigginATAndi TaoAGAndrew G. P. Maloney

University of Cambridge · Cambridge Crystallographic Data Centre

Indexed incrossrefdatacite

Abstract

We report the generation and characterization of the most complete collection of metal–organic frameworks (MOFs) maintained and updated, for the first time, by the Cambridge Crystallographic Data Centre (CCDC). To set up this subset, we asked the question “what is a MOF?” and implemented a number of “look-for-MOF” criteria embedded within a bespoke Cambridge Structural Database (CSD) Python API workflow to identify and extract information on 69 666 MOF materials. The CSD MOF subset is updated regularly with subsequent MOF additions to the CSD, bringing a unique record for all researchers working in the area of porous materials around the world, whether to perform high-throughput computational screening for…

Citation impact

1,086
total citations
FWCI
35.92
Percentile
100%
References
41
Citations per year

Authors

8

Topics & keywords

Topics
Keywords
  • Bespoke
  • Workflow
  • Python (programming language)
  • Computer science
  • Metal-organic framework
  • Database
  • Nanotechnology
  • Characterization (materials science)
No related works found for this paper.

Funding