Pyrene-based metal organic frameworks
收藏DataCite Commons2026-03-12 更新2026-05-04 收录
下载链接：
https://archive.materialscloud.org/doi/10.24435/materialscloud:x7-v8
下载链接
链接失效反馈官方服务：
资源简介：
Pyrene is one of the most widely investigated aromatic hydrocarbons due to its unique optical and electronic properties. Hence, pyrene-based ligands have been investigated for the synthesis of metal-organic frameworks (MOFs) in the last few years. This dataset collects the atomic structures of the pyrene-based MOFs discussed in Table 1 of Ref. 1.
The crystal structures have been manually curated to resolve partial occupancies and remove solvent molecules. Charge-neutral structures were optimized using DFT following the CURATED protocol described in 10.1021/acscentsci.9b00619.
提供机构：
Materials Cloud
创建时间：
2025-06-24
