Table 1. Crystallographic data.

^aThe numbers in parentheses describe the relevant value for the last resolution shell.

^bR_sym=∑|I_i−〈I〉|/∑I, where I_i is the intensity of the ith observation, and 〈I〉 is the mean intensity of the reflections.

^cR_cryst=∑||F_obs|−|F_calc||/∑|F_obs|, crystallographic R factor, and R_free=∑||F_obs|−|F_calc||/∑|F_obs|, where all reflections belong to a test set of randomly selected data.