Information card for entry 4082675

Structure parameters

• Formula: C21 H46 O P4 Ru
• Calculated formula: C21 H46 O P4 Ru
• SMILES: [Ru]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)Oc2c(cccc2CC)C1
• Title of publication: Multiple C‒H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes
• Authors of publication: Hirano, Masafumi; Yanagisawa, Yasuto; Mulyadi, Endin; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1235
• a: 10.4676 ± 0.0016 Å
• b: 15.184 ± 0.002 Å
• c: 17.564 ± 0.003 Å
• α: 90°
• β: 106.491 ± 0.002°
• γ: 90°
• Cell volume: 2676.8 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.612
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoK?
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No