Information card for entry 7035385

Structure parameters

• Chemical name: {(C5H4N)(?3-η5,η2,η1-C9H5CHCH2CH2CH2CH=CH2)}Ru2(CO)4
• Formula: C24 H19 N O4 Ru2
• Calculated formula: C24 H19 N O4 Ru2
• SMILES: [Ru]12345([Ru]678([n]9ccccc9[c]93[c]2([cH]5[c]21cccc[c]492)C6CCC[CH]7=[CH2]8)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Intramolecular cyclization of a diruthenium complex: insight into the mechanism of heteroatom-directed intramolecular C-H/olefin coupling reactions.
• Authors of publication: Gong, Dawei; Hu, Bowen; Shi, Jing; Chen, Dafa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12507 - 12510
• a: 17.6013 ± 0.0005 Å
• b: 15.0254 ± 0.0004 Å
• c: 17.6493 ± 0.0006 Å
• α: 90°
• β: 113.718 ± 0.004°
• γ: 90°
• Cell volume: 4273.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No