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wangyong8569

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structure a (ccdc 1850770): c73 h75 f6 fe2 mn n15 o5 p
sorry for my mistake in my question ¡°refining the occupancy of the dmso solvent molecules....¡± of course, it isn¡¯t dmso.
but in principle my question remains: ¡°... refining the solvent molecules, they must show senseful atomic parameters and there should be no large voids left¡­.¡±
so please solve or comment these cif s:
413__2_a short inter xh3 .. xhn h46a ..h72c 1.64 ang.
420__2_b d-h without acceptor o3 --h3b please check
420__2_b d-h without acceptor o5 --h5 please check
601__2_b structure contains solvent accessible voids of . 142 ang**3

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[ Last edited by wangyong8569 on 2018-12-18 at 14:56 ]
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