Information card for entry 7054541

Structure parameters

• Formula: C22 H14 O4 Ru2
• Calculated formula: C22 H14 O4 Ru2
• SMILES: [cH]12[c]34[c]5(cccc3)[Ru]36714(C#[O])([cH]2[cH]53)C(=O)[Ru]12347([cH]5[cH]1[cH]2[c]13cccc[c]451)(C6=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: 9.241 ± 0.006 Å
• b: 13.168 ± 0.009 Å
• c: 8.138 ± 0.006 Å
• α: 90°
• β: 112.245 ± 0.009°
• γ: 90°
• Cell volume: 916.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No