Figure 4
Peanut plot (Hummel et al., 1990) of (Ie) showing the difference between the measured displacement parameters and the parameters obtained by three independent rigid-body analyses using the program THMA11 (Schomaker & Trueblood, 1998). A scale factor of 3.08 was used for the r.m.s. surfaces. Darker spheres (blue in the electronic version of the paper) indicate positive differences and lighter spheres (purple in the electronic version) negative differences. All molecules are drawn independently in the same orientation and do not represent the crystal packing. |