Information card for entry 4304299

Structure parameters

• Formula: C43 H42 Cl O2 P3 Ru
• Calculated formula: C43 H42 Cl O2 P3 Ru
• SMILES: [Ru]123(Cl)([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[O]=C(O3)C
• Title of publication: Reactivity and Catalytic Activity of a Robust Ruthenium(II)-Triphos Complex
• Authors of publication: Adrian B. Chaplin; Paul J. Dyson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 381 - 390
• a: 10.082 ± 0.006 Å
• b: 15.654 ± 0.008 Å
• c: 27.322 ± 0.018 Å
• α: 90°
• β: 96.45 ± 0.05°
• γ: 90°
• Cell volume: 4285 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No