I have synthesized a material as a powder going from topology to material but still no single crystal. Someone synthesizzed a similar material with a sorter crystal as a byproduct so i was wondering what are the steps and the softwere i might use in order to build the structure from that material to mine.
"Materials Studio" should be appropriate... And I can maybe help a bit if you tell me more about it.
I haave tried materials studio.... What i want to do is add a an extra benzene on a ligand on a Metal Organic Framework allready published. One strategy is to go from topology to the material. The other way is to go from the crystal structuire to that. What i want to do is cat the bond beetween the carboxylate and the benzene and add another one. When i just delete it and widen the cell the points stay the same. Id prefer to discuss it in private....
Hi Pantelis,
We have experience with things like that, if you send us (me or Dewi W. Lewis) the information we probably can send you back the structure.
Cheers,
Rabdel
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