Figure 2
Deformation EDD maps for the [Cr(CH3CN)6]2+ cation in the plane of atoms Cr1, N1, and N3, as calculated (a) from the experimental multipolar refinements, (2), and (b) from the refinements with the theoretically predicted multipolar parameters, (3). Red lines represent positive contours and blue lines represent negative contours. Contours are drawn at 0.1 e− Å−3 intervals. |