Information card for entry 4063658

Structure parameters

• Formula: C61 H41 Cl2 N O4 Ru3
• Calculated formula: C61 H41 Cl2 N O4 Ru3
• SMILES: [Ru]12345([Ru]6789([Ru]%10%11%12%131(C#[O])([c]1([c]%13([cH]%12[c]%12%11cccc[c]%101%12)C(=C3c1ccccc1)c1ccccc1)c1[n]2cccc1)([C]6(c1ccccc1)=[C]47c1ccccc1)[C]9(=[C]58c1ccccc1)c1ccccc1)(C#[O])C#[O])C#[O].ClCCl
• Title of publication: Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond
• Authors of publication: Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 676
• a: 20.532 ± 0.005 Å
• b: 13.568 ± 0.003 Å
• c: 18.234 ± 0.004 Å
• α: 90°
• β: 102.23 ± 0.004°
• γ: 90°
• Cell volume: 4964 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1172
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No