> I have done that. But it's not Cambridge that has the problem (CCSD), it's
> the
> inorganic chemistry structure database (ICSD) out of Karlsruhe. I pointed
> them
> to http://journals.iucr.org/iucr-top/cif/spec/nonvalues.html
>
> Probably something we should look at carefully ourselves.

OK ... I get confused by all these acronyms :-)


Miguel



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