You can find solvent-free and disorder-free structure files of nearly all the experimental COFs published on literature here. Specially, COFs reported without the atomic coordinate files are constructed following the experimental information provided in the corresponding synthetic studies. All the structure file are solvent-free and disorder-free, being suitable for direct use as input files for computational purpose.
Minman Tong, Youshi Lan, Qingyuan Yang, and Chongli Zhong, Exploring the structure-property relationships of covalent organic frameworks for noble gas separations. Chem. Eng. Sci. 2017, 168, 456-464.
This work was supported by the Natural Science Foundation of China (Nos.21706106, 21536001, 21136001, 21322603 and 21276009) and the National Key Basic Research Program of China (“973”) (No. 2013CB733503).