Information card for entry 7054537

Structure parameters

• Formula: C23 H8 Br N O9 Ru3
• Calculated formula: C23 H8 Br N O9 Ru3
• SMILES: Brc1cccc2[c]34[c]56cccc[c]75[cH]5[c]83[Ru](C#[O])(C#[O])(C#[O])([n]12)[Ru](C#[O])(C#[O])(C#[O])(C#[O])[Ru]46758(C#[O])C#[O]
• Title of publication: Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene
• Authors of publication: Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 1075
• a: 10.13 ± 0.003 Å
• b: 10.886 ± 0.003 Å
• c: 11.806 ± 0.003 Å
• α: 95.962 ± 0.004°
• β: 105.519 ± 0.003°
• γ: 93.803 ± 0.003°
• Cell volume: 1241.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No