Information card for entry 7011840

Structure parameters

• Chemical name: (η^6^-hexaethylbenzene)(η^4^-cycloocta-1,5-diene)ruthenium(0)
• Formula: C26 H42 Ru
• Calculated formula: C26 H42 Ru
• SMILES: [c]12([c]3([c]4([c]5([c]6([c]1([Ru]17823456[CH]2=[CH]1CC[CH]7=[CH]8CC2)CC)CC)CC)CC)CC)CC
• Title of publication: Synthesis, structures and dynamic NMR spectra of ??6-hexaethylbenzene complexes of ruthenium(0) and ruthenium(ii)
• Authors of publication: Baldwin, Richard; Bennett, Martin A.; Hockless, David C. R.; Pertici, Paolo; Verrazzani, Alessandra; Uccello Barretta, Gloria; Marchetti, Fabio; Salvadori, Piero
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4488
• a: 9.578 ± 0.003 Å
• b: 10.712 ± 0.003 Å
• c: 13.336 ± 0.004 Å
• α: 68.61 ± 0.03°
• β: 84.16 ± 0.03°
• γ: 64.32 ± 0.03°
• Cell volume: 1145.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No