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. 2022 Jan 1;78(Pt 1):18-22.
doi: 10.1107/S2056989021012561.

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

Arnaud Clerc  1 , Nathalie Saffon-Merceron  2 , Julien Monot  1 , Blanca Martin Vaca  1 , Didier Bourissou  1
Affiliations

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

Arnaud Clerc et al. Acta Crystallogr E Crystallogr Commun. .

Abstract

A dicationic PdII dimer, bis{2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolato}palladium(II) bis(hexafluoridoantimonate) dichloromethane monosolvate, [Pd2(C32H42N2P2S2)](SbF6)2·CH2Cl2, containing a 2-[(diisopropylphos-phanyl)methyl]quinoline-8-thiolate pincer ligand, was isolated and its crystal structure determined. The title compound crystallizes in the ortho-rhom-bic 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)° and a short Pd⋯Pd distance of 2.8425 (7) Å. 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 hexa-fluorido-anti-monate 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⋯F and C-H⋯π inter-actions, forming a supra-molecular network.

Keywords: PdII pincer complex; S-bridging coordination; crystal structure; dimer; quinoline.

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Figures

Figure 1
Figure 1
Schematic representation of Pd pincer complexes I–III
Figure 2
Figure 2
The mol­ecular structure of the title compound with the atom numbering. Displacement ellipsoids are drawn at the 50% probability level.
Figure 3
Figure 3
Detail of the mol­ecular structure of 22+ , showing the main atom-numbering scheme and displacement ellipsoids at the 50% probability level. H atoms and i Pr groups have been omitted for clarity.
Figure 4
Figure 4
A partial packing diagram of 2(SBF6)2 ; H atoms, and solvent omitted for clarity.
Figure 5
Figure 5
C—H⋯F hydrogen bonds (blue dotted lines).
Figure 6
Figure 6
C—H⋯Cg contact.
See this image and copyright information in PMC

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