Crystal structure of a dicationic PdII dimer containing a 2-[(diisopropylphosphanyl)methyl]-quinoline-8-thiolate pincer ligand

A dicationic Pd-II dimer, bis{2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolato}palladium(II) bis(hexafluoridoantimonate) dichloromethane monosolvate, [Pd-2(C32H42N2P2S2)](SbF6)(2)center dot CH2Cl2, containing a 2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolate pincer ligand, was isolated and its crystal structure determined. The title compound crystallizes in the orthorhombic space group Pbca. A dimeric structure is formed by bridging coordination of the S atoms. The geometry of the butterfly-shaped Pd2S2 core is bent, with a hinge angle of 108.0 (1)degrees and a short Pd center dot center dot center dot Pd distance of 2.8425 (7) angstrom. These values are the lowest measured compared to ten dicationic dimers with a Pd2S2 core featuring sulfur atoms embedded in a chelating ligand. One of the two hexafluoridoantimonate anions is disordered over two sets of positions with site-occupancy factors of 0.711 (5) and 0.289 (5). The crystal structure is stabilized by many C-H center dot center dot center dot F and C-H center dot center dot center dot pi interactions, forming a supramolecular network.

Automated summary

A new dicationic compound [Pd-2(C32H42N2P2S2)](SbF6)(2)·CH2Cl2 was studied and its crystal structure was determined. The compound exhibits a dimeric structure with two sulfur atoms bridging. The geometry of the Pd2S2 core is butterfly-shaped and has a small Pd···Pd distance. The crystal structure is stabilized by various C-H···F and C-H···π interactions, forming a supramolecular network.