How to find the countercations of di-protonated 1,2-ethylenediamine (H2en) in special position. The molecule should be H3NCH2CH2NH3. And half of the molecule should be -CH2NH3. But I can not find it, because the founded C exist in special position. Although another Q peak can found near this C, there will still some problem. Are there some good methods to find the countercations of (H2en)n[La2(1,3-pdta)2(H2O)2]n·xnH2O? Thank you.

The sad.res file

The sad.hkl file.

Hi Mao-Long,

   Thanks for the question - unfortunately I don't think this is the best place for you to get advice. The CSD Python API does not offer tools for structure solution, I suggest you try asking at https://www.xrayforum.co.uk/ for suggestions on how best to refine your structure. Good luck!

You must be signed in to post in this forum.