Yes - we are puzzling over the same phenomena.
Look at this web site set up by Marjorie Harding
http://tanna.bch.ed.ac.uk/
It lists the likely coordination patterns.
We certainly have ideal Na bonding in our structure - but unfortunately
we wanted to find Ca which has a very similar pattern!!
Grrr
Eleanor
Jacob Keller wrote:
Dear Crystallographers,
I am looking at a 1.0 Angstrom structure which contains many waters, but
I am wondering whether some of them might really be sodium ions. Is
there any straightforward way to distinguish between these two, and if
so, what is the software which implements this? Although the electron
density difference between sodium and water should be very small,
perhaps the binding geometry would provide a clearer distinction? Has
anybody encountered this question before?
Regards,
Jacob Keller
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Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
Dallos Laboratory
F. Searle 1-240
2240 Campus Drive
Evanston IL 60208
lab: 847.491.2438
cel: 773.608.9185
email: j-kell...@northwestern.edu
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