cis-{2,6-Bis[(di-tert-butylphosphanyl)methyl]cyclohexyl-κ3 P,C 1,P′}chloridopalladium(II)

The PdII atom in the title compound, [Pd(C24H49P2)Cl], has a distorted square-planar CClP2 coordination geometry with the P,C,P′-tridentate ligand forming two five-membered metallacycles. The cyclohexane ring is aligned with the PdII coordination plane due to C—H activation in an equatorial position, giving a tri-equatorial conformation of the cyclohexyl ring.


Experimental
Crystal data [Pd(C 24  Financial support from the Swedish Research Council and the Knut and Alice Wallenberg Foundation is gratefully acknowledged. We also thank the Crafoord foundation for a post-doctoral grant to JMJvR. Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2700).
The cyclohexane ring is aligned with the palladium coordination plane forming the usual tri-equatorial conformation ( Fig. 1).

Experimental
All procedures were performed under vacuum or nitrogen.

Refinement
The H atoms were positioned geometrically and treated as riding on their parent atoms with C-H distances of 0.93-0.97 Å and U iso (H) = 1.2U eq -1.5U eq . The highest difference peak in the Fourier map is located 1.25 Å from H26A and the

Figure 1
The molecular structure of (I) with atom labels (methyl groups labels omitted) and 40% probability displacement ellipsoids. H-atoms were omitted for clarity.

Special details
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.