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Figure 7
The difference electron-density map passing through the O2 (blue in the electronic version of the paper), P1 (khaki) and F1 (green) atoms in (I)[link], (II)[link] and (III)[link]. The contours are in inter­vals of 0.05 e Å−3. The negative electron density is shown by dashed contours. The map was drawn using JANA2006 (Petříček et al., 2006BB39). (a) For (I)[link], the maximal electron densities in the vicinities of P1 and F1 are about 0.222 and 0.095 e Å−3. The minimal electron densities between P1—F1 and outside F1 are −0.150 and −0.108 e Å−3, respectively. (b) For (II)[link], the maximal electron density is 0.387 e Å−3 in the region between P1 and F1. (c) For (III)[link], the maximal electron density is 0.216 e Å−3 in the region between P1 and F1.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
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