New suite: CSD-Frameworks for Porous Materials Design

We are excited to launch CSD-Frameworks, the new suite to accelerate the development of metal-organic frameworks (MOFs) and other porous materials. Using trusted experimental and curated data from the CSD, CSD-Frameworks will guide research, optimize materials design, and offer deeper insights into porous materials.

CSD-Frameworks provides:

• Crystal structure visualization and analysis.
•    
• Pore and void characterization.
•    
• Solvate and guest molecule analysis.
•    
• Chemical and structural searches.
•    
• Access to the entire CSD, including a curated collection of 100,000+ MOF structures.

Learn more about CSD-Frameworks in the new white paper.

Blog: The CCDC and Durham University Awarded an Innovate UK Grant to Advance Sustainable Medicines Manufacturing through Digital Particle Engineering

The CCDC and Durham University have received an Innovate UK grant for the "Sustainable Medicines Manufacturing: Collaborative R&D" initiative. This funding will allow for the integration of the ADDICT prototype software into our CSD-Particle suite within the Mercury platform, promoting digitalization in pharmaceutical manufacturing and supporting the industry's transition towards sustainable practices.

Over half (10,350) of the new structures in the CSD are metal-organic structures that can be classified as coordination complexes and MOFs. Among them, there is an example of cobalt(II) spin-state isomers that can be physically separated, as reported by Wheaton et al. (2024). This discovery reveals how subtle coordination geometry and solvent polarity changes can control spin states.

This webinar introduces CSD-Frameworks. As mentioned above, CSD-Frameworks is a new software suite from the CCDC designed to enhance research on MOFs and porous materials. It utilizes a curated database with over 120,000 experimentally determined structures to facilitate materials design and analysis. This webinar will feature live demonstrations of key functionalities, including pore and void characterization, guest molecule analysis, and chemical searches.

Register here

How To Video: Explore Molecules and Create Eye-Catching Graphics with Mercury 

Learn how to use Mercury's core features to explore molecules and crystal structures. This video shows you how to select CSD structures, choose display styles, analyze intermolecular interactions, measure distances and angles, and create high-quality images for reports and presentations. Watch now!

References

Wheaton, A. M., Chipman, J. A., Walde, R. K., Hofstetter, H. & Berry, J. F. (2024). J. Am. Chem. Soc. 146, 26926–26935.