Information card for entry 4069650

Structure parameters

• Formula: C29 H24 O9 Ru4
• Calculated formula: C29 H24 O9 Ru4
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14([Ru]%151([Ru]29(C%15=O)(C#[O])(C#[O])C[C]18=[C]24C(=C(C([C]52=[C]6([c]27%10[c]%11([c]%12([c]%13([c]%1412)C)C)C)C)C)C)C)(C3=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: 9.804 ± 0.002 Å
• b: 18.478 ± 0.004 Å
• c: 15.826 ± 0.003 Å
• α: 90°
• β: 92.28 ± 0.03°
• γ: 90°
• Cell volume: 2864.7 ± 1 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: 0.0306
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No