We are seeking recommendations for new chemical compounds to benchmark within our network. Suitable compounds include polymorphic systems of molecular salts, cocrystals, hydrates, solvates, or unary systems.
Please avoid compounds that decompose easily (e.g., on melting) or have more than 400 atoms per unit cell or a unit cell axis length greater than 35 Å.
To propose a compound for benchmarking at molecularsystems@best-csp.eu, please include its melting point, melting enthalpy, and CSD crystal structure references. Additionally, suggestions for someone to track the data are welcome. Also provide us with your contact details, as we may contact you for more information if necessary.
E-mail: molecularsystems@best-csp.eu
Please answer until 31st of March.