Acta Crystallographica Section C

Structural Chemistry

Volume 70, Part 2 (February 2014)


computational materials discovery



gz3242 scheme

Acta Cryst. (2014). C70, 165-168    [ doi:10.1107/S2053229614000084 ]

Bis{2-[(3,5-diphenyl-1H-pyrrol-2-yl­idene-[kappa]N)amino]-3,5-di­phenyl­pyrrol-1-ido-[kappa]N}palladium(II): a homoleptic four-coordinate tetra­phenyl­aza­di­pyrromethene complex of palladium

R. C. Jones, H. Müller-Bunz, P. Evans and D. F. O'Shea

Abstract: The structural chemistry of the title compound, [Pd(C32H22N3)2], at 173 K is described. The compound is com­prised of two deprotonated (3,5-diphenyl-1H-pyrrol-2-yl)(3,5-di­phenyl­pyrrol-2-yl­idene)amine ligands coordinated to a central PdII cation, which lies on an inversion centre and has distorted square-planar geometry. The Pd-N bond lengths range from 2.008 (4) to 2.014 (4) Å and the bite angle is 84.16 (14)°. The chelate plane makes a dihedral angle of 45.3 (2)° with respect to the central PdN4 plane, giving a stepped conformation to the mol­ecule. The complex displays simple intra­molecular C-H...N hydrogen bonds, while the unit cell consists of discrete monomeric Pd(C32H22N3)2 units which display inter­molecular C-H...[pi] inter­actions and limited intra- and inter­molecular [pi]-[pi] stacking.

Formula: [Pd(C32H22N3)2]

Keywords: crystal structure; aza­dipyrromethene ligand; homoleptic palladium complex; photophysical characteristics.


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[ doi:10.1107/S2053229614000084/gz3242Isup3.cdx ]
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[ doi:10.1107/S2053229614000084/gz3242Isup4.txt ]
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