Information card for entry 4073654

Structure parameters

• Formula: C28 H30 Cl P Ru
• Calculated formula: C28 H30 Cl P Ru
• SMILES: [RuH]12345(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Catalytic Activity of Bis-phosphine Ruthenium(II)−Arene Compounds: Chemoselective Hydrogenation and Mechanistic Insights
• Authors of publication: Chaplin, Adrian B.; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4357
• a: 12.0477 ± 0.0012 Å
• b: 12.2926 ± 0.001 Å
• c: 18.0764 ± 0.0018 Å
• α: 85.438 ± 0.007°
• β: 80.435 ± 0.007°
• γ: 71.09 ± 0.007°
• Cell volume: 2496.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No