Figure 2
A quaternion fit of the two independent molecules in (I) (x = 1, 2), calculated by PLATON (Spek, 2009) using an algorithm of Mackay (1984). The fit is based on all non-H atoms, except for O1x, O2x, O5x and C6x, resulting in an r.m.s. fit of 0.027 Å for the seven fitted atoms. |