
TY  - JOUR
A1  - Woolcock, J 
A1  - Niederhut, M 
A1  - Craven, BM 
T1  - The Molecular Structure of (Bicyclo[3.3.1]nona-2,6-diene)dichloropalladium(II)
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1996
VL  - 49
IS  - 9
SP  - 977
EP  - 980
KW  - 
UR  - https://doi.org/10.1071/CH9960977 
N2  - The molecular structure of (C9H12)PdCl2 in solution has been studied by two-dimensional n.m.r. spectroscopy, and the crystal structure has been determined. The spectroscopic results support earlier conclusions that in solution the Pd-diene interactions involve non-equivalent carbon atoms at each of the equivalent ethenic centres. The crystals are disordered with respect to the atoms of the eight-membered ring. The molecule has point symmetry 2 and is chiral. However, in the crystal structure, the molecules are in the special position with symmetry m2m in the orthorhombic space group Cmcm. Thus right- and left-handed molecules randomly occupy the same site. Full-matrix least-squares refinement with all 485 reflections (dmin = 0.85 &#506;, Mo K&#945; radiation) measured at ambient temperature gave R(F) = 0.047 and Rw(F) = 0.038 for 430 reflections with F2 > 2&#963;. The distance Pd-Cl is 2.300(3) &#506;. The short Pd-C2 and Pd-C3 distances (2.223 and 2.245 &#506;, respectively) differ by only 1.2&#963;. However, the ethenic carbon atoms are non equivalent since C2 is considerably closer to the PdCl2 plane than C 3 (0.43 v. 0.99 A). The shortest distance between disordered sites for superposed molecules is 0.61 &#506;. The corresponding platinum(II) complex is isomorphous and is disordered in the same way. 
ER  -

