Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions

Shiryaev, A.A.; Burkhanova, T.M.; Mitoraj, M.P.; Kukulka, M.; Sagan, F.; Mahmoudi, G.; Babashkina, M.G.; Bolte, M.; Safin, D.A.

doi:10.1107/S2052252521000610

Figure 5
ETS-NOCV/BLYP-D3/TZP energy-decomposition results for the crystal dimer of [Ni(L^II)₂]. The considered model and ETS-based results (top), and the overall deformation density Δρ_orb with the corresponding ΔE_orb (bottom).

IUCrJ

Volume 8| Part 3| May 2021| Pages 351-361

ISSN: 2052-2525

https://doi.org/10.1107/S2052252521000610

CHEMISTRY | CRYSTENG

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