Information card for entry 7035384

Structure parameters

• Chemical name: {(C5H4N)(?2-η3,η5-C9H5CCH2CH2CH2CCH2)}Ru2(CO)4
• Formula: C24 H17 N O4 Ru2
• Calculated formula: C24 H17 N O4 Ru2
• SMILES: [c]123[c]4(cccc1)[cH]1[c]56[c]72c2cccc[n]2[Ru]28([C]95CCC[C]2=9C8)(C#[O])(C#[O])[Ru]34167(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: 16.155 ± 0.005 Å
• b: 9.626 ± 0.003 Å
• c: 31.755 ± 0.007 Å
• α: 90°
• β: 120.579 ± 0.011°
• γ: 90°
• Cell volume: 4251 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No