Figure 7
The basal plane cuts from the harmonic springs model for polymorph (I), which uses the Fi from an empirical formula (Chan, Welberry, Goossens & Heerdegen, 2010), a rigid molecule, and an overall average B-factor (non-H atoms) of 3.3 Å2. (a) 0kl, (b) h0l, (c) hk0. |