Structural and Hirshfeld Surface Analyses of a Novel Hetero-Tetranuclear CuII-NaI Bis(Salamo)-Based Coordination Compound

The newly designed butterfly-shaped hetero-tetranuclear CuII-NaI coordination compound, [Cu3(HL)2Na]∙Pic (Pic− is abbreviation of picrate) (1) which is derived from a naphthalenediol-based bis(Salamo)-type chelating ligand H4L have been synthesized and characterized by elemental analyses, UV-vis spectra, IR spectra analysis, and Hirshfeld surface analysis. X-ray crystallographic analyses revealed that the coordination compound 1 is a novel hetero-tetranuclear CuII-NaI bis(Salamo)-type coordination compound and it differs from heterotrinuclear CuII-NaI bis(Salamo)-type coordination compound reported earlier. The Cu1 and Cu3 atoms are tetra-coordinated with geometries of distorted square pyramid, while Cu2 atom are hexa-coordinated with the geometry of a distorted octahedron. The NaI atom is octa-coordinated with the geometry of a distorted hexagonal bipyramid. Furthermore, the supramolecular structure and Hirshfeld surface analyses have been discussed in detail