Information card for entry 4074046

Structure parameters

• Formula: C55 H51 N2 P2 Ru
• Calculated formula: C55 H44 N2 P2 Ru
• Title of publication: A Mechanism Displaying Autocatalysis: The Hydrogenation of Acetophenone Catalyzed by RuH(S-binap)(app) Where app Is the Amido Ligand Derived from 2-Amino-2-(2-pyridyl)propane
• Authors of publication: Hadzovic, Alen; Song, Datong; MacLaughlin, Christina M.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5987
• a: 11.139 ± 0.002 Å
• b: 12.076 ± 0.002 Å
• c: 16.788 ± 0.003 Å
• α: 90°
• β: 95.22 ± 0.03°
• γ: 90°
• Cell volume: 2248.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No