a<p>Values in parentheses are for the highest resolution shell.</p>b<p>ASU, asymmetric unit.</p>c<p><i>R</i><sub>work</sub> = Σ||<i>F</i><sub>obs</sub>|–|<i>F</i><sub>calc</sub>||/Σ|<i>F</i><sub>obs</sub>|, where <i>F</i><sub>calc</sub> and <i>F</i><sub>obs</sub> are the calculated and observed structure factor amplitudes, respectively.</p>d<p><i>R</i><sub>free</sub> = as for <i>R</i><sub>work</sub>, but for 3.7% of the total reflections chosen at random and omitted from refinement.</p
