Please find the attached image. I want to find the angle between the pi molecular plane like they did from the cif file. Can anyone please suggest any software or web application to do the same.
You can try with this: https://www.ccdc.cam.ac.uk/solutions/csd-system/components/mercury/
Yes, I checked in Mercury. But could not able to find out the particular feature.
Hilal Balout I have attached the image from a research paper (Angew. Chem. Int. Ed. 2018, 57, 8875 –8880) https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201713288?af=R
The authors have not provided the cif file.
I want to find the angle as they did in a similar kind of stacking.
Full text of the article is also available on research gate (Article From Linear to Angular Isomers: Achieving Tunable Charge Tra...
)
Can you give the coordinates of the system you work on it?
if the atoms are in the same plane you can do like in picture in attach.
or you should fit all coordinates and then calculate the angle.
Hilal
I have the same problem, and it is solved. Thank you Bojidarka B. Ivanova and Kalyan J Kalita
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