An investigation of the electron density of a Jahn–Teller-distorted CrII cation: the crystal structure and charge density of hexa­kis­(aceto­nitrile-κN)chromium(II) bis­(tetra­phenyl­borate) aceto­nitrile disolvate

Thangavel, A.; Wieliczko, M.; Scarborough, C.; Dittrich, B.; Bacsa, J.

doi:10.1107/S2053229615015739

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 3
Residual EDD maps for the [Cr(CH₃CN)₆]²⁺ cation in the plane of atoms Cr1, N1, and N3. Panel (a) was calculated from the model corresponding to the unconstrained refinements, (2), and panel (b) was calculated from the model corresponding to the refinements with the constrained multipolar parameters, (3). Red lines represent positive contours and blue lines represent negative contours. Contours are drawn at 0.1 e⁻ Å⁻³ intervals.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 71| Part 11| October 2015| Pages 936-943

doi:10.1107/S2053229615015739

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