Information card for entry 4077512

Structure parameters

• Formula: C42 H46 N2 P2 Ru
• Calculated formula: C42 H46 N2 P2 Ru
• SMILES: [RuH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2][C@H]2[C@H]([NH2]1)CCCC2
• Title of publication: Ruthenium Dihydride RuH2(PPh3)2((R,R)-cyclohexyldiamine) and Ruthenium Monohydride RuHCl(PPh3)2((R,R)-cyclohexyldiamine): Active Catalyst and Catalyst Precursor for the Hydrogenation of Ketones and Imines
• Authors of publication: Abdur-Rashid, Kamaluddin; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 14
• Pages of publication: 2655
• a: 8.9595 ± 0.0002 Å
• b: 17.7941 ± 0.0006 Å
• c: 12.1757 ± 0.0004 Å
• α: 90°
• β: 103.688 ± 0.002°
• γ: 90°
• Cell volume: 1886 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0455
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No