Information card for entry 4069649

Structure parameters

• Formula: C27 H24 O7 Ru3
• Calculated formula: C27 H24 O7 Ru3
• SMILES: [Ru]12345([Ru]67([Ru]89%10%11(C#[O])(C#[O])[c]%12%13[C]6([c]65[c]1([c]2([c]3([c]46C)C)C)C([c]%11%13[c]%10([c]9([c]8%12C)C)C)C)=[CH2]7)(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: 8.1807 ± 0.0016 Å
• b: 8.9651 ± 0.0018 Å
• c: 19.394 ± 0.004 Å
• α: 94.27 ± 0.03°
• β: 98.25 ± 0.03°
• γ: 110.69 ± 0.03°
• Cell volume: 1304.8 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No