Figure 3
Difference-Fourier maps (x2,x4) for the O09 atom applying different models for the modulation of the ADPs; left: no modulation of ADPs, Δρmax/min = 0.77/−0.58 e Å−3; middle: harmonic wave of first order, Δρmax/min = 0.70/−0.63 e Å−3; right: harmonic waves of first and second order, Δρmax/min = 0.18/−0.14 e Å−3. The step of the contour lines is 0.10 e Å−3, the width of the maps is 3.0 Å. |