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Bis{[2,2'-(5,8,11-tri-thia-2,14-di-aza-penta-deca-1,14-diene-1,15-di-yl)diphenolato]palladium(II)} aceto-nitrile monosolvate.


ABSTRACT: The asymmetric unit of the title compound, [Pd(C22H26N2O2S3)]2·CH3CN, contains two complex mol-ecules and a single uncoordinated lattice aceto-nitrile solvent mol-ecule. The Pd(II) cations have a trans-N2O2 square-planar geometry and the superposition of the two crystallographically independent Pd(II) complexes yields an overall r.m.s. deviation of 0.292 Å. The Pd⋯Pd separation in the asymmetric unit is 3.3776 (3) Å, while the PdN2O2 plane-plane fold angle is 1.62 (7)°. A short inter-molecular S⋯S contact between the central S atom of one complex and its inversion-related symmetry equivalent of 3.663 (2) Å is observed. Part of the ligand chain (S-C-C-S) in each complex mol-ecule is disordered over two orientations and refined occupancies that converged to 0.450 (10) and 0.550 (10) for the one complex mol-ecule, and 0.789 (9) and 0.211 (9) for the other.

SUBMITTER: Dawe LN 

PROVIDER: S-EPMC3772405 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Bis{[2,2'-(5,8,11-tri-thia-2,14-di-aza-penta-deca-1,14-diene-1,15-di-yl)diphenolato]palladium(II)} aceto-nitrile monosolvate.

Dawe Louise Nicole LN   Adhikary Bibhutosh B   Collins Julie L JL   Lucas C Robert CR  

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7


The asymmetric unit of the title compound, [Pd(C22H26N2O2S3)]2·CH3CN, contains two complex mol-ecules and a single uncoordinated lattice aceto-nitrile solvent mol-ecule. The Pd(II) cations have a trans-N2O2 square-planar geometry and the superposition of the two crystallographically independent Pd(II) complexes yields an overall r.m.s. deviation of 0.292 Å. The Pd⋯Pd separation in the asymmetric unit is 3.3776 (3) Å, while the PdN2O2 plane-plane fold angle is 1.62 (7)°. A short inter-molecular S  ...[more]

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