Information card for entry 7011839

Structure parameters

• Formula: C36 H60 Cl4 Ru2
• Calculated formula: C36 H60 Cl4 Ru2
• SMILES: [c]12([c]3([c]4([c]5([c]6([Ru]71345([c]26CC)([Cl][Ru]12345([c]6([c]1([c]2([c]3([c]4([c]56CC)CC)CC)CC)CC)CC)([Cl]7)Cl)Cl)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: 10.9 ± 0.002 Å
• b: 9.566 ± 0.003 Å
• c: 18.439 ± 0.003 Å
• α: 90°
• β: 101.99 ± 0.02°
• γ: 90°
• Cell volume: 1880.7 ± 0.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 2.17
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No