Dipotassium tetra-kis-(thio-cyanato-κS)palladate(II)-(2,2'-bipyrimidine-κ(2)N(1),N(1'))bis-(thio-cyanato-κS)palladium(II) (1/2).

The asymmetric unit of the title compound, K(2)[Pd(NCS)(4)]·2[Pd(NCS)(2)(C(8)H(6)N(4))], contains two crystallographically independent half-mol-ecules of the anionic Pd(II) complex, two K(+) cations and two independent neutral Pd(II) complexes; an inversion centre is located at the centroid of each anionic complex. In the anionic complexes, each Pd(II) ion is four-coordinated in an almost regular square-planar environment by four S atoms from four SCN(-) anions, and the PdS(4) unit is exactly planar. In the neutral complexes, the Pd(II) ion has a slightly distorted square-planar coordination environment defined by two pyrimidine N atoms derived from a chelating 2,2'-bipyrimidine ligand and two mutually cis S atoms from two SCN(-) anions. Both 2,2'-bipyrimidine ligands are almost planar [dihedral angle between the rings = 3.98 (16) and 4.57 (17)°] and also chelate to a potassium ion from their other two N atoms. In the crystal, the K(+) ions inter-act with various S and N atoms of the ligands, forming a three-dimensional polymeric network, in which the shortest K⋯K contacts between the KN(7)S polyhedra are 4.4389 (17) and 4.4966 (18) Å. Intra- and inter-molecular C-H⋯S and C-H⋯N hydrogen bonds are also observed.

Citation

Kwang Ha. Dipotassium tetra-kis-(thio-cyanato-κS)palladate(II)-(2,2'-bipyrimidine-κ(2)N(1),N(1'))bis-(thio-cyanato-κS)palladium(II) (1/2). Acta crystallographica. Section E, Structure reports online. 2012 May 01;68(Pt 5):m616-7

PMID: 22590117

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