Figure 5
PEANUT plots showing the difference displacement parameters 3 × (Uobs – Ucal) of α-FOX-7 from synchrotron diffraction (80–360 K); positive and negative differences are shown with respective solid and dashed lines. Axes shown are the molecular coordinate system for normal mode analysis; see text for more details. The r.m.s. values of Σ(ΔU/σobs) = ∼3–4 for non-H and ∼1 for H atoms. |