Crystal structure of bis(N-cetylpyridinium) bis(2-thioxo-1,3-dithiole- 4,5-dithiolato)palladium(II), [C21H38N]2[Pd(C3S5)2]

Abstract

were added consecutively with stirring at room temperature. The reaction mixture was stirred for about 30 min. The product was collected by filtration and washed with methanol to afford ared precipitate. This precipitate was purified by recrystallization from acetone in air and then dissolved in acetone again. The solution was left to stand for several days at approximately 293 K, and plate-like, red crystals suitable for the X-ray structure determination were obtained. UV data are available in the CIF. Experimental detailsAll Ha toms placed in geometrically calculated positions and refined using ariding model with U iso (H) =1.2 or 1.5 U eq (C). The high residual values are attributed to the poor quality of the crystal. DiscussionSince their discovery nearly three decades ago, metal bis(2-thioxo-1,3-dithiole-4,5-dithiolate) (dmit) complexes have attracted increasing attention owing to their potential applications as precursors for electrical conductors, superconductors [2] and for their optical and photoelectrical properties [3]. Furthermore, many of these complexes have been reported as promising nonlinear optical materials [4]. Among them, many of Ni-dmit complexes have been synthesized and studied for optical applications and their crystal structures have been reported. However, there are only af ew of research on the crystal structure and optical properties of the analogous, Pd-dmit complexes. The crystal structure of the title compound shows some similarities with most of the previously reported structures of related Pddmit complexes. The dmit ligand behaves typically as abidentate ligand and coordinates the Pd 2+ ion through vicinal exocyclic sulfur atoms of two dmit molecules in aquasi square-planar geometry ( figure, top). The two five-membered rings formed by the metal ion and its adjacent atoms have an dihedral angle of 0.0(2)°a nd the maximum deviation from the least-squares plane of [Pd(dmit) 2 ] 2-is 0.179(4) Å for S1 and the mean deviation is 0.104 . Å.The bond-lengths of dmit ligand show typical conjugation characters. The C=S double bond (1.653(9) Å)ismuch longer than that of typical C=S (1.599 Å) [5]. The other C-Sbonds span the range of 1.705(10) to 1.770(7) Å.T hey are all shorter than the typical C-Ssingle bond (1.819 Å)and are essentially Z. Kristallogr. NCS 225 (2010) 131-133

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“…This gives rise to alternating cationic and anionic regions in the overall framework. This type of packing behavior is similar to other reported CPC structures, − albeit with a different packing arrangement.…”