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 4
Positive and negative deformation density isosurfaces (0.01 e⁻ Å⁻³) of the [Cr(CH₃CN)₆]²⁺ cation from refinements with the predicted multipolar parameters. There are concentrations of charge corresponding to nitrogen lone-pair electrons. There are also concentrations of d-electrons between the equatorial ligands and towards the axial ligands, with depletions along the equatorial Cr—N bonds.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

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

doi:10.1107/S2053229615015739

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