Information card for entry 4111427

Structure parameters

• Formula: C92 H85 N2 P4 Ru2
• Calculated formula: C92 H85 N2 P4 Ru2
• SMILES: [RuH]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[NH]4=[CH]1[CH]2=[NH]3[RuH]4([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?
• Authors of publication: Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1870 - 1882
• a: 10.4107 ± 0.0001 Å
• b: 14.1121 ± 0.0002 Å
• c: 27.0744 ± 0.0005 Å
• α: 97.828 ± 0.008°
• β: 97.705 ± 0.001°
• γ: 101.796 ± 0.001°
• Cell volume: 3803.25 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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 all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1106
• 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