I need the simulated XRD pattern of PCN-222 to compare with experimental data. Thanks.
Dear Francisco G. Moscoso thank you for the interesting question. Cited below is the original research article about PCN-222 MOF.
Zirconium‐Metalloporphyrin PCN‐222: Mesoporous Metal–Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts
Article Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic...
The article is available as full text from the internet.
The cif files can be obtained from the CCDC free of charge:
"CCDC 893545 http://www.ccdc.cam.ac.uk/cgi‐bin/catreq.cgi contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif."
Dear Francisco G. Moscoso P.S. More information about the crystal structure of PCN-222 MOF can be found in the Supplementary Information of the original article:
https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fanie.201204475&file=anie_201204475_sm_miscellaneous_information.pdf
(see attached)
Hello. If you have a powder difraction data, it is possile to search in powder database like PowCOD (http://www.ba.ic.cnr.it/softwareic/qualx/powcod-download/) using Qualx2 software (http://www.ba.ic.cnr.it/softwareic/qualx/). This program and the database is free for academy.
Too you can found articles related to this PCN-222 MOF with a CCDC number, and search this code in the CCDC dataase(https://www.ccdc.cam.ac.uk/structures/?). Best wishes,
- Badges
- Science topic
- Similar topics
- Filing