X-ray data collection and refinement.
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Values in parentheses are for the outer shell (2.41−2.33 Å) for ROCK(535–700), and (2.49−2.40 Å) for ROCK (535–709).†Rsym = ∑h∑i| Ii(h) - | /∑h∑iIi(h), where Ii(h) is the ith measurement and is the mean of all measurements of I(h) for Miller indices h.‡R = ∑(| Fobs| - | Fcalc|)/∑| Fobs|. Rfree is obtained for a test set of reflections (5.3% of total).
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2015-12-02
