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Title: Di-μ-sulfido-bis{[rac-1,2-bis(η5-4,5,6, 7-tetrahydroinden-1-yl)ethane]zirconium(IV)} toluene monosolvate
Authors: Haehnel, M.Altenburger, K.Spannenberg, A.Arndt, P.Rosenthal, U.
Publishers Version: https://doi.org/10.1107/S1600536812044121
Issue Date: 2012
Published in: Acta Crystallographica Section E: Structure Reports Online Vol. 68 (2012), No. 11
Publisher: Chester : International Union of Crystallography
Abstract: The title dimeric zirconium complex, [Zr3(C20H 24)2S2]·C7H8, was obtained from the reaction of (ebthi)Zr(η2-Me3Si-C2-SiMe3) [ebthi is rac-1,2-bis(η5-4,5,6,7-tetrahydroinden-1-yl)ethane] and S=C=N-ada (ada = adamantan-1-yl) along with the formation of the isonitrile C N-ada. Each ZrIV atom is coordinated by the sterically hindered ebthi ligand and two μ-sulfide ligands in a strongly distorted tetrahedral geometry. The [ZrS]2 unit is almost planar (mean deviation from the best plane of the four atoms = 0.025Å). A -CH2-CH2- group in one ebthi ligand was disordered over two sites, with refined occupancy factors of 0.551(6) and 0.449(6). The asymmetric unit also contains a toluene solvent molecule.
Keywords: data-to-parameter ratio = 19.8; disorder in main residue; mean ̄(C-C) = 0.003 Å; R factor = 0.027; single-crystal X-ray study; T = 150 K; wR factor = 0.072
DDC: 540
License: CC BY 4.0 Unported
Link to License: https://creativecommons.org/licenses/by/4.0/
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