Summary
Two crystal and molecular structures have been determined for the sterically very crowded molecule dicarbonyl(η2-cis-cyclooctene)[η6-1,3,5-triethyl-2,4,6-tris-(trimethylsilylmethyl)-benzene]-molybdenum(0),3 a und3 b. In structure3 a the crystals are monoclinic, space group P21/n, whereas in3 b they are orthorhombic, space group P212121. In3 a the carbon-carbon double bond of thecis-cyclooctene moiety is almost parallel to the benzene ring plane; in3 b it is inclined at an angle of nearly 15°. In both3 a and3 b the co-ordinatedcis-cyclooctene and arene moieties adopt conformations which are very similar to those calculated to be the ground states of the free molecules.
Zusammenfassung
Von dem sterisch sehr gespannten Molekül Diarbonyl(η2-cis-cycloocten)[η6-1,3,5-triethyl-2,4,6-tris-(trimethylsilylmethyl)-benzol]molybdän(0) wurden zwei unterschiedliche Kristall-und Molekülstrukturen3 a und3 b ermittelt. Die Kristalle von3 a sind monoklin (Raumgruppe P21/n), jene von3 b orthorhombisch (Raumgruppe P212121). In3 a ist die Kohlenstoff-Kohlenstoff Doppelbindung dercis-Cycloocteneinheit nahezu parallel zum Benzolring angeordnet; in3 b ist sie um etwa 15° gekippt. Die Konformationen des koordiniertencis-Cycloocten sowie des Arens sind sehr ähnlich jenen Grundzustandsstrukturen, die für die nichtkoordinierten Moleküle berechnet wurden.
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Barnes, J.C., Hunter, G., Keller, W. et al. Two different crystal and molecular structures for dicarbonyl(η2-cis-cyclooctene)[η6-1,3,5-triethyl-2,4,6-tris-(trimethylsilylmethyl)-benzene]molybdenum(0): a highly crowded but surprisingly stable molecule. Monatsh Chem 123, 443–454 (1992). https://doi.org/10.1007/BF00817600
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DOI: https://doi.org/10.1007/BF00817600