Acta Crystallographica Section B

Structural Science, Crystal Engineering and Materials

Volume 69, Part 1 (February 2013)


research papers



Acta Cryst. (2013). B69, 36-42    [ doi:10.1107/S2052519212046738 ]

Electronic influence of [beta]-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters

T. N. Hill, A. Roodt and G. Steyl

Abstract: A range of single-crystal structures of the type [Pd(cod)(LL'-Bid)]A, where LL'-Bid = acetylacetonato (acac), thenoyltrifluoroactetonato (thtfac) and hexafluoroacetylacetonato (hfacac), and A = tetrafluoroborate (BF4-) and hexafluorophosphate (PF6-), are reported. The complexes [Pd(cod)(acac)]PF6 (I), [Pd(cod)(thtfac)]PF6 (III), [Pd(cod)(thtfac)]BF4 (IV) and [Pd(cod)(hfacac)]PF6 (V) are isostructural in the monoclinic space group P21/c. The influence of the variation of the [beta]-diketonato-type ligands on the coordination geometry of cis,cis-1,5-cycloocta-1,5-diene (cod) was investigated and found that no significant changes to the Pd-C and C=C bond distances were observed. The `Venus fly trap' parameters vary by 7.8° for the `jaw' angle ([psi]), while the `bite' angle ([chi]) remains virtually constant.

Keywords: [beta]-diketonato; `Venus fly trap' parameters; coordination geometry.


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Hydrogen-bond tables and molecular diagrams


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