Received 24 August 2011
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 - stacking interaction between a phenyl and a cyclopentadienyl ring with corresponding CC 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-HCl and C-HO hydrogen bonds. The (CH3)2SO solvent molecules are arranged in layers parallel to (101) and are linked in pairs by C-HO 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.
For general information on ferrocene-based diphosphines and their applications in asymmetric catalysis, see: Togni (1996); Blaser et al. (2007); Dai & Hou (2010). For the synthesis, coordination behavior, and use in asymmetric catalysis of ligands based on [diphenylphosphanyl-(2-diphenylphosphanylphenyl)methyl]-ferrocene, see: Schuecker et al. (2010); Lotz et al. (2010).
Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT and XPREP (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: PLATON (Spek, 2009) and publCIF (Westrip, 2010).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GK2404 ).
This work was kindly supported by SOLVIAS AG.
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