Information card for entry 4069652

Structure parameters

• Formula: C23 H16 O9 Ru4
• Calculated formula: C23 H16 O9 Ru4
• SMILES: [Ru]1234567([Ru]89%10%11([Ru]1([Ru]1%1228(C#[O])(C#[O])[CH]2%11[CH]%10=[C]9([c]87[c]3([c]4([c]5([c]68C)C)C)[C]12=[CH2]%12)C)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Reactions of Dihydrooctamethyl-s-indacene and 1,2,3,4,7-Pentamethylindene with Ru3(CO)12: Intramolecular sp3C−H Activation
• Authors of publication: Xu, Kun; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4438
• a: 10.233 ± 0.002 Å
• b: 15.87 ± 0.003 Å
• c: 14.933 ± 0.003 Å
• α: 90°
• β: 91.3 ± 0.03°
• γ: 90°
• Cell volume: 2424.5 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No