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Figure 3
(a) and (c) experimental, and (b) and (d) theoretical molecular graphs for (I) (a), (b) and (II) (c), (d). Blue spheres indicate the atomic positions, red spheres the (3, −1) bond-critical points and yellow spheres the (3, +1) ring-critical points. The experimental charge density ρ(r) values in the ring-critical point found for (I) and (II) are: 0.17 and 0.16 e Å−3.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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