Information card for entry 2227770

Structure parameters

• Chemical name: Benzoyldicarbonyl(η^5^-indenyl)ruthenium(II)
• Formula: C18 H12 O3 Ru
• Calculated formula: C18 H12 O3 Ru
• SMILES: [Ru]1234([cH]5[cH]1[cH]2[c]13[c]45cccc1)(C#[O])(C#[O])C(=O)c1ccccc1
• Title of publication: Benzoyldicarbonyl(η^5^-indenyl)ruthenium(II)
• Authors of publication: Oudenhoven, Tracey A.; Walder, Brennan J.; Golen, James A.; Rheingold, Arnold L.; D'Acchioli, Jason S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1160
• a: 11.531 ± 0.003 Å
• b: 8.731 ± 0.002 Å
• c: 15.158 ± 0.004 Å
• α: 90°
• β: 108.15 ± 0.003°
• γ: 90°
• Cell volume: 1450.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes