Information card for entry 4073653

Structure parameters

• Formula: C31 H34 F6 O2 P2 Ru
• Calculated formula: C31 H34 F6 O2 P2 Ru
• SMILES: [Ru]123456([P](c7ccccc7O1)(c1ccccc1)c1ccccc1)([O]=C(C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.2561 ± 0.0007 Å
• b: 17.793 ± 0.003 Å
• c: 15.176 ± 0.003 Å
• α: 90°
• β: 91.275 ± 0.009°
• γ: 90°
• Cell volume: 3038.7 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No