Di-μ-sulfido-bis{[rac-1,2-bis(η5-4,5,6, 7-tetrahydroinden-1-yl)ethane]zirconium(IV)} toluene monosolvate

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Date
2012
Volume
68
Issue
11
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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.

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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
Citation
Haehnel, M., Altenburger, K., Spannenberg, A., Arndt, P., & Rosenthal, U. (2012). Di-μ-sulfido-bis{[rac-1,2-bis(η5-4,5,6, 7-tetrahydroinden-1-yl)ethane]zirconium(IV)} toluene monosolvate. 68(11). https://doi.org//10.1107/S1600536812044121
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CC BY 4.0 Unported