Synthesis and structural characterization of hexa-μ2-chlorido-μ4-oxido-tetrakis{[4-(phenylethynyl)-pyridine-κN]copper(II)} dichloromethane monosolvate

In the crystal structure of the title compound, [Cu4Cl6O(C13H9N)(4)]center dot CH2Cl2, the core molecular structure consists of a Cu-4 tetrahedron with a central interstitial O atom. Each edge of the Cu-4 tetrahedron is bridged by a chlorido ligand. Each copper(II) cation is coordinated to the central O atom, two chlorido ligands and one N atom of the 4-phenylethynylpyridine ligand. In the crystal, the molecules are linked by intermolecular C-H center dot center dot center dot Cl interactions. Furthermore, C-H center dot center dot center dot pi and pi-pi interactions also connect the molecules, forming a three-dimensional network. Hirshfeld surface analysis indicates that the most important contributions for the packing arrangement are from H center dot center dot center dot H and C center dot center dot center dot H/H center dot center dot center dot C interactions.

Automated summary

The crystal structure of the compound [Cu4Cl6O(C13H9N)4]·CH2Cl2 features a Cu-4 tetrahedron core with copper(II) cations coordinated to central O atom, chlorido ligands, and the 4-phenylethynylpyridine ligand. Intermolecular interactions such as C-H···Cl, C-H···π, and π-π contribute to linking the molecules and forming a three-dimensional network. Hirshfeld surface analysis indicates that packing arrangement is mainly influenced by H···H and C···H/H···C interactions.