Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetra­aqua­bis­{2-[(5-methyl-1,3,4-thia­diazol-2-yl)sulfan­yl]acetato-κO}cobalt(II)

Kinshakova, E.; Torambetov, B.; Kaur, S.; Ashurov, J.; Kadirova, S.

doi:10.1107/S2056989024011939

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 4
(a) Energy framework diagram for compound [Co(L)₂(H₂O)₄]; (b) the color-coded interaction mapping within 3.8 Å of the center molecule (gray) calculated with the CE—HF⋯HF/3–21 G model (R is the distance between molecular centroids (main atomic position) in Å, all interaction energies in kJ mol⁻¹).

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 81| Part 1| January 2025| Pages 63-68

https://doi.org/10.1107/S2056989024011939

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