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Di-μ-sulfido-bis-{[rac-1,2-bis-(η(5)-4,5,6,7-tetra-hydro-inden-1-yl)ethane]-zirconium(IV)} toluene monosolvate.

Haehnel M, Altenburger K, Spannenberg A, Arndt P, Rosenthal U - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The [ZrS](2) unit is almost planar (mean deviation from the best plane of the four atoms = 0.025 Å).A -CH(2)-CH(2)- 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 mol-ecule.

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Affiliation: Leibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, Germany.

ABSTRACT
The title dimeric zirconium complex, [Zr(2)(C(20)H(24))(2)S(2)]·C(7)H(8), was obtained from the reaction of (ebthi)Zr(η(2)-Me(3)Si-C(2)-SiMe(3)) [ebthi is rac-1,2-bis-(η(5)-4,5,6,7-tetra-hydro-inden-1-yl)ethane] and S=C=N-ada (ada = adamantan-1-yl) along with the formation of the isonitrile C N-ada. Each Zr(IV) atom is coordinated by the sterically hindered ebthi ligand and two μ-sulfide ligands in a strongly distorted tetra-hedral geometry. The [ZrS](2) unit is almost planar (mean deviation from the best plane of the four atoms = 0.025 Å). A -CH(2)-CH(2)- 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 mol-ecule.

No MeSH data available.


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The molecular structure of the title compound with 30% displacement ellipsoids. Hydrogen atoms are omitted for clarity. Minor disorder is indicated by open bonds.
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Fap1: The molecular structure of the title compound with 30% displacement ellipsoids. Hydrogen atoms are omitted for clarity. Minor disorder is indicated by open bonds.


Di-μ-sulfido-bis-{[rac-1,2-bis-(η(5)-4,5,6,7-tetra-hydro-inden-1-yl)ethane]-zirconium(IV)} toluene monosolvate.

Haehnel M, Altenburger K, Spannenberg A, Arndt P, Rosenthal U - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound with 30% displacement ellipsoids. Hydrogen atoms are omitted for clarity. Minor disorder is indicated by open bonds.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3515160&req=5

Fap1: The molecular structure of the title compound with 30% displacement ellipsoids. Hydrogen atoms are omitted for clarity. Minor disorder is indicated by open bonds.
Bottom Line: The [ZrS](2) unit is almost planar (mean deviation from the best plane of the four atoms = 0.025 Å).A -CH(2)-CH(2)- 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 mol-ecule.

View Article: PubMed Central - HTML - PubMed

Affiliation: Leibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, Germany.

ABSTRACT
The title dimeric zirconium complex, [Zr(2)(C(20)H(24))(2)S(2)]·C(7)H(8), was obtained from the reaction of (ebthi)Zr(η(2)-Me(3)Si-C(2)-SiMe(3)) [ebthi is rac-1,2-bis-(η(5)-4,5,6,7-tetra-hydro-inden-1-yl)ethane] and S=C=N-ada (ada = adamantan-1-yl) along with the formation of the isonitrile C N-ada. Each Zr(IV) atom is coordinated by the sterically hindered ebthi ligand and two μ-sulfide ligands in a strongly distorted tetra-hedral geometry. The [ZrS](2) unit is almost planar (mean deviation from the best plane of the four atoms = 0.025 Å). A -CH(2)-CH(2)- 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 mol-ecule.

No MeSH data available.


Related in: MedlinePlus