Information card for entry 7054540

Structure parameters

• Formula: C21 H8 Br N O7 Ru3
• Calculated formula: C21 H8 Br N O7 Ru3
• SMILES: [Ru]1234([Ru]5([n]6c([C]72=[C]35C4[c]23[Ru]45891([c]72[cH]4[cH]5[cH]8[cH]39)(C#[O])C#[O])cccc6Br)(C#[O])(C#[O])C#[O])(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: 7.181 ± 0.0006 Å
• b: 9.6498 ± 0.0008 Å
• c: 16.7441 ± 0.0015 Å
• α: 95.889 ± 0.001°
• β: 98.26 ± 0.001°
• γ: 104.031 ± 0.002°
• Cell volume: 1102.52 ± 0.16 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: 0.0572
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No