Information card for entry 4309024

Structure parameters

• Formula: C42 H40 N2 P2 Ru
• Calculated formula: C42 H40 N2 P2 Ru
• SMILES: [RuH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2]Cc2[n]1cccc2
• Title of publication: Chemistry of Ruthenium(II) Monohydride and Dihydride Complexes Containing Pyridyl Donor Ligands Including Catalytic Ketone H2-Hydrogenation1
• Authors of publication: Kamaluddin Abdur-Rashid; Robert Abbel; Alen Hadzovic; Alan J. Lough; Robert H. Morris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2483 - 2492
• a: 9.8852 ± 0.001 Å
• b: 16.3564 ± 0.0002 Å
• c: 22.3784 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3618.3 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No