Refinement statistics. For the joint X-ray–neutron refinements, statistics for both X-ray and neutron data are shown. All crystals had the space group I222.
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aHighest resolution shell is shown in parenthesis. bRwork = ∑hkl(|Fo(hkl)|–|Fc(hkl)|)/∑hkl|Fo(hkl)| for F(hkl) not belonging to the test set (5%); Rfree = ∑hkl(|Fo(hkl)|–|Fc(hkl)|)/∑hkl|Fo(hkl)| for F(hkl) in the test set (5%). cIncluding hydrogen bond restraints.
创建时间：
2014-01-23
