I am presently working on the synthesis of Aluminium fumarate MOF and I would like to carry out computational analysis on it. I have checked the COD database for the .cif structure but did not find any.
I will greatly appreciate if you can help me get it.
I look forward to your kind assistance.
Thanks.
Shed.
The COD may not contain everything. In this case good old publications search may help.
Follow the link to the paper with all necessary information you need including some computational work.Article The Structure of the Aluminum Fumarate Metal–Organic Framework A520
Just in case also here is the CIF file I made following this paper.
It is for you to decide if it contains enough information for you.
Shedrck Akpe
Attached is the .cif structure.
If you want some other? Send me the paper of crystal structure. And will get you the .cif
SAMEE ULLAH Thanks once again. Please did you prepare this cif yourself? If not, could you provide me with the paper reference you obtained it. Thanks
Shedrck Akpe Yep this paper.
"The Structure of the Aluminum Fumarate Metal–Organic Framework A520"
I am working on the synthesis of Aluminium fumarate MOf and I would like to know the mechanism of the reaction ?? and How control the pore diameter ?
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