Information card for entry 4309025

Structure parameters

• Formula: C46 H40 N2 P2 Ru
• Calculated formula: C46 H40 N2 P2 Ru
• SMILES: c12[n](cccc2)[RuH2]([n]2c1cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.7052 ± 0.0002 Å
• b: 16.3191 ± 0.0007 Å
• c: 23.3994 ± 0.001 Å
• α: 90°
• β: 90.205 ± 0.003°
• γ: 90°
• Cell volume: 3706 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No