Di-μ-chlorido-bis({8-[bis(naphthalen-1-yl)phosphanyl]naphthalen-1-yl-κ2 C 1,P}palladium(II)) dichloromethane disolvate

The title compound, [Pd2{P(C10H7)2(C10H6)}2Cl2]·2CH2Cl2, shows cyclometalation of one naphthalen-1-yl substituent of each of the phosphane ligands to the Pd dimer in a trans orientation; the complete dimer is generated by a centre of inversion. Two dichloromethane solvent molecules create C—H⋯Cl interactions with the metal complex, generating supermolecular layers in the ab plane. Additional C—H⋯π and π–π [centroid–centroid distances = 3.713 (3), 3.850 (4) and 3.926 (3) Å] interactions join these planes into a three-dimensional supermolecular network.

The title compound ( Fig.1) crystallizes in the triclinic space group P1 (Z = 1), situated around an inversion centre and accompanied by two dichloromethane solvate molecules in the unit cell. The coordination centre for each Pd II centre is distorted due to the strained five membered chelation of the naphthalen-1-yl ligand to each metal centre in a trans orientation. This distortion is noted most prominently in the displacement of the P and C donor atoms from the plane formed by the Pd and bridged Cl atoms (C3 and P1 displaced 0.2811 (4) and -0.2508 (12) Å, respectively).
Crystal packing reveals a 2-dimentional network generated by C-H···Cl interactions between the cyclo-metalated Pd complex and the dichloromethane solvates (see Fig. 2, table 1). In addition to the above several C-H···π interactions (see

Refinement
The aromatic and methylene H atoms were placed in geometrically idealized positions (C-H = 0.95 and 0.99 Å) and allowed to ride on their parent atoms, with U iso (H) = 1.2U eq (C). The deepest residual electron-density hole (-2.36 e.Å 3 ) is located at 0.7 Å from C31 and the highest peak (1.59 e.Å 3 ) 1.12 Å from Cl3, both associated with the solvate molecule and representing no physical meaning.

Figure 1
A view of the title complex, showing the atom-numbering scheme and 50% probability displacement ellipsoids (H atoms omitted for clarity). Accented lettering indicate atoms generated by symmetry code i = 1-x, -y, 1-z.     Packing diagram showing the π-π interactions (indicated by red dashed lines). H atoms are omitted for clarity. where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max < 0.001 Δρ max = 1.59 e Å −3 Δρ min = −2.36 e Å −3 Special details Experimental. The intensity data was collected on a Bruker Apex DUO 4 K CCD diffractometer using an exposure time of 10 s/frame. A total of 3976 frames were collected with a frame width of 0.5° covering up to θ = 28.38° with 98.6% completeness accomplished. 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq