Information card for entry 4132432

Structure parameters

• Formula: C21 H27 N2 O2 P Ru
• Calculated formula: C21 H27 N2 O2 P Ru
• SMILES: [RuH]12([P](Cc3[n]1c(ccc3)c1ncccc21)(C(C)(C)C)C(C)(C)C)(C#[O])C#[O]
• Title of publication: CO Oxidation by N₂O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.
• Authors of publication: Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7061 - 7064
• a: 12.0886 ± 0.0006 Å
• b: 13.2869 ± 0.0011 Å
• c: 26.5089 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4257.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No