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Figure 8
(a) Residual electron density after the structural refinement corresponding to γHS = 0.95 (contour spacing 0.2 e Å−3; positive contours drawn in blue, negative ones in red, zero contour omitted for clarity). (b) PEANUT (Hummel et al., 1990BB32) plot of the mean-square displacement difference surfaces with arbitrarily exaggerated scale. The continuous black lines correspond to the refined molecular structure; the dashed lines belong to the purely LS molecular structure.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 40| Part 6| November 2007| Pages 1076-1088
doi:10.1107/S0021889807040149
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