Information card for entry 7054538

Structure parameters

• Formula: C32 H17 Br N2 O4 Ru2
• Calculated formula: C32 H17 Br N2 O4 Ru2
• SMILES: Brc1cccc2[c]34[c]56[cH]7[c]89cccc[c]38[Ru]4579(c3cccc4C5=C(Cc7ccccc57)[Ru]6(C#[O])(C#[O])([n]34)[n]12)(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: 24.724 ± 0.008 Å
• b: 10.628 ± 0.004 Å
• c: 23.593 ± 0.008 Å
• α: 90°
• β: 115.263 ± 0.004°
• γ: 90°
• Cell volume: 5607 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No