Information card for entry 4111727

Structure parameters

• Formula: C36 H40 P2 Ru
• Calculated formula: C36 H40 P2 Ru
• SMILES: [RuH]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism
• Authors of publication: Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 7805 - 7814
• a: 15.7131 ± 0.0012 Å
• b: 15.8159 ± 0.0012 Å
• c: 12.8624 ± 0.0009 Å
• α: 90°
• β: 101.421 ± 0.002°
• γ: 90°
• Cell volume: 3133.2 ± 0.4 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No