Information card for entry 4309023

Structure parameters

• Formula: C42 H39 Cl N2 P2 Ru
• Calculated formula: C42 H39 Cl N2 P2 Ru
• SMILES: [RuH]1(Cl)([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: 10.8591 ± 0.0001 Å
• b: 18.4542 ± 0.0003 Å
• c: 22.6775 ± 0.0003 Å
• α: 81.38 ± 0.001°
• β: 82.4 ± 0.001°
• γ: 79.001 ± 0.001°
• Cell volume: 4385.38 ± 0.1 ų
• Cell temperature: 273 ± 1 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No