Badgett Ansonia H, Gray Danielle L, Shelby Quinetta D
Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 19;65(Pt 10):m1233-4. doi: 10.1107/S1600536809036678.
In the title compound, [PdCl(2)(C(27)H(26)P(2))] or PdCl(2)[(C(6)H(5))(2)PCH(2)P(C(6)H(4)CH(3))(2)], the palladium center has a distorted square-planar geometry. There are two crystallographically independent mol-ecules in the asymmetric unit. The dihedral angle between the PdP(2) and PdCl(2) planes is 2.95 (4)° in one independent mol-ecule and 5.15 (4)° in the other. The P-Pd-P and P-C-P bond angles are significantly distorted because of the small bite angle of the chelating (bis-phosphino)methane ligand. The steric demands of the substituted rings in the mixed ligand cause a slight elongation of the Pd-P(C(6)H(4)CH(3))(2) bond relative to the Pd-P(C(6)H(5))(2) bond. In one molecule the tolyl ring shows positional disorder in a 0.58 (2):0.42 (2) ratio, in the other molecule the phenyl ring shows positional disorder in a 0.838 (9):0.162 (9) ratio.
在标题化合物[PdCl₂(C₂₇H₂₆P₂)]或PdCl₂[(C₆H₅)₂PCH₂P(C₆H₄CH₃)₂]中,钯中心具有扭曲的平面正方形几何构型。不对称单元中有两个晶体学独立的分子。在一个独立分子中,PdP₂平面与PdCl₂平面之间的二面角为2.95 (4)°,在另一个分子中为5.15 (4)°。由于螯合(双膦基)甲烷配体的夹角较小,P-Pd-P和P-C-P键角明显扭曲。混合配体中取代环的空间需求导致相对于Pd-P(C₆H₅)₂键,Pd-P(C₆H₄CH₃)₂键略有伸长。在一个分子中,甲苯基环以0.58 (2):0.42 (2)的比例呈现位置无序,在另一个分子中,苯基环以0.838 (9):0.162 (9)的比例呈现位置无序。