Inorganic Chemistry, Vol.37, No.14, 3471-3474, 1998
Variation in the mode of coordination of aryl sulfonates to zirconocene in the solid state
The solid-state structures of three zirconocene aryl sulfonates were determined. In Cp2Zr(OSO2C6H5)(2) (1), one of the sulfonate ligands is monodentate, the other bidentate coordinated. Cp2Zr(OSO2-4-C6H4Cl)(2) (2) and Cp2Zr(OSO2-3,4-C6H3Cl2)(2) (3) are dimers of pentacoordinated zirconocenes with two monodentate sulfonates and a double bridge of mu-O,mu-O'-sulfonates. A possible explanation for the formation of the solid-state structures is offered in terms of differences in electron density of the sulfonate oxygen atoms. 1 : C22H20O6S2Zr, a 8.062(2) Angstrom, b = 14.502(3) Angstrom, c = 19.623(4) Angstrom, alpha = 90.91(1)degrees, beta = 101.78(1)degrees, gamma = 106.00(2)degrees triclinic, P (1) over bar, Z = 4. 2 : C22H18CI2O6S2Zr, a = 7.9669(8) Angstrom, b = 11.0816(12) Angstrom, c =13.4056(10) Angstrom, alpha = 79.944(7)degrees, beta = 75.009(7)degrees, gamma = 84.647(9)degrees triclinic, P (1) over bar, Z = 2. 3 : C22H16Cl4O6S2Zr, a = 7.7574(7) Angstrom, b = 12.1124(12) Angstrom, c = 13.4613(11) Angstrom, alpha = 85.343(7)degrees beta = 76.653(6)degrees gamma = 79.880(8)degrees, triclinid, P (1) over bar, Z = 2.