title: Variation in the Mode of Coordination of Aryl Sulfonates to Zirconocene in the Solid State.
abstract: The solid-state structures of three zirconocene aryl sulfonates were determined. In Cp(2)Zr(OSO(2)C(6)H(5))(2) (1), one of the sulfonate ligands is monodentate, the other bidentate coordinated. Cp(2)Zr(OSO(2)-4-C(6)H(4)Cl)(2) (2) and Cp(2)Zr(OSO(2)-3,4-C(6)H(3)Cl(2))(2) (3) are dimers of pentacoordinated zirconocenes with two monodentate sulfonates and a double bridge of &mgr;-O,&mgr;-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: C(22)H(20)O(6)S(2)Zr, a = 8.062(2) Å, b = 14.502(3) Å, c = 19.623(4) Å, alpha = 90.91(1) degrees, beta = 101.78(1) degrees, gamma = 106.00(2) degrees, triclinic, P&onemacr;, Z = 4. 2: C(22)H(18)Cl(2)O(6)S(2)Zr, a = 7.9669(8) Å, b = 11.0816(12) Å, c = 13.4056(10) Å, alpha = 79.944(7) degrees, beta = 75.009(7) degrees, gamma = 84.647(9) degrees, triclinic, P&onemacr;, Z = 2. 3: C(22)H(16)Cl(4)O(6)S(2)Zr, a = 7.7574(7) Å, b = 12.1124(12) Å, c = 13.4613(11) Å, alpha = 85.343(7) degrees, beta = 76.653(6) degrees, gamma = 79.880(8) degrees, triclinic, P&onemacr;, Z = 2.
authors.affiliation: Department of Chemistry, University of Konstanz, Fach M738, D-78457 Konstanz, Germany.
authors.forename: Nicola S.
authors.initials: NS
authors.lastname: Hüsgen
authors.forename: Gerrit A.
authors.initials: GA
authors.lastname: Luinstra
authors.forename: Frank
authors.initials: F
authors.lastname: Schaper
authors.forename: Katrin
authors.initials: K
authors.lastname: Schmidt