Information card for entry 7054542

Structure parameters

• Formula: C27 H16 Br N O5 Ru2
• Calculated formula: C27 H16 Br N O5 Ru2
• SMILES: [Ru]12345([Ru]6([n]7c(Br)cccc7[c]71[c]2([cH]3[c]14[c]57cccc1)C6Cc1ccccc1)(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: 13.5255 ± 0.0013 Å
• b: 12.8602 ± 0.0009 Å
• c: 15.6149 ± 0.0014 Å
• α: 90°
• β: 114.691 ± 0.002°
• γ: 90°
• Cell volume: 2467.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No