Information card for entry 4071691

Structure parameters

• Formula: C50 H44 O P2 Ru
• Calculated formula: C50 H43.32 O P2 Ru
• Title of publication: Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form an η3-Allyl Complex
• Authors of publication: Hirano, Masafumi; Kuga, Toshinori; Kitamura, Mariko; Kanaya, Susumu; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3635
• a: 13.898 ± 0.003 Å
• b: 15.542 ± 0.004 Å
• c: 10.008 ± 0.002 Å
• α: 96.38 ± 0.02°
• β: 110.6 ± 0.02°
• γ: 88.54 ± 0.02°
• Cell volume: 2010.8 ± 0.8 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No