Abstract
The racemic title compound, [FePdCl2(C5H5)(C36H29P2)]·2(CH3)2SO, features a Pd-chelating 1,3-diphosphine, which is substituted at a P-bearing asymmetric C atom by a ferrocenyl group. The PdII atom is in a distorted quadratic coordination by two P and two Cl atoms with bond lengths of 2.2414 (3) and 2.2438 (3) Å for Pd—P, and 2.3452 (3) and 2.3565 (3) Å for Pd—Cl. The conformation of the Pd complex is controlled by an intramolecular slipped π–π stacking interaction between a phenyl and a cyclopentadienyl ring with corresponding C⋯C distances starting at 3.300 (2) Å and the distance between ring centroids being 3.674 (2) Å. The crystal structure is stabilized by C—H⋯Cl and C—H⋯O hydrogen bonds. The (CH3)2SO solvent molecules are arranged in layers parallel to (101) and are linked in pairs by C—H⋯O interactions. One (CH3)2SO molecule is orientationally disordered [occupancy ratio 0.8766 (17):0.1234 (17)] with sulfur in two positions at both sides of its C2O triangle.
Highlights
The racemic title compound, [FePdCl2(C5H5)(C36H29P2)]2(CH3)2SO, features a Pd-chelating 1,3-diphosphine, which is substituted at a P-bearing asymmetric C atom by a ferrocenyl group
The PdII atom is in a distorted quadratic coordination by two P and two Cl atoms with bond lengths of 2.2414 (3) and
The crystal structure is stabilized by C—H Cl and C—H O hydrogen bonds
Summary
ISSN 1600-5368 rac-Dichlorido(1-{(diphenylphosphanyl)[2-(diphenylphosphanyl)phenyl]methyl}ferrocene-j2P,P0 )palladium(II) dimethyl sulfoxide disolvate a a Raffael Schuecker, Walter Weissensteiner and Kurt. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.002 Å; disorder in solvent or counterion; R factor = 0.021; wR factor = 0.055; data-toparameter ratio = 23.9. The PdII atom is in a distorted quadratic coordination by two P and two Cl atoms with bond lengths of 2.2414 (3) and. Pd—Cl. The conformation of the Pd complex is controlled by an intramolecular slipped – stacking interaction between a phenyl and a cyclopentadienyl ring with corresponding C C distances starting at 3.300 (2) Å and the distance between ring centroids being 3.674 (2) Å. The crystal structure is stabilized by C—H Cl and C—H O hydrogen bonds. The (CH3)2SO solvent molecules are arranged in layers parallel to (101) and are linked in pairs by C—H O interactions. One (CH3)2SO molecule is orientationally disordered [occupancy ratio. 0.8766 (17):0.1234 (17)] with sulfur in two positions at both sides of its C2O triangle
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