Crystallographic data.
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Values in parentheses are for the highest resolution shell.1Rmeas =.Σhkl{1/[1(hkl)-1]}1/2Σi | Ii(hkl)-(I(hkl))|/ΣhklΣi Ii(hkl).2Rp.i.m. = Σhkl{1/[N(hkl)-1]}1/2Σi | Ii(hkl)-(I(hkl))|/ΣhklΣi Ii(hkl).3Rwork = Σhkl(||Fobshkl|-|Fcalchkl||)/|Fobshkl|, where |Fobshkl| and |Fcalchkl| represent the observed and calculated structure factor amplitudes. Rfree is equivalent to Rwork but calculated using 5% of the reflections not used in refinement.4 Calculated using Molprobity [33].Crystallographic data.
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2015-12-03
