Information card for entry 4063661

Structure parameters

• Formula: C35 H21 N O5 Ru2
• Calculated formula: C35 H21 N O5 Ru2
• SMILES: [Ru]12345([Ru]67([n]8ccccc8C8=C(Cc9c8cccc9)[C]26=[C]3(c2ccccc2)[CH]4=[C]57c2ccccc2)(C1=O)(C#[O])C#[O])(C#[O])C#[O]
• 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: 10.591 ± 0.003 Å
• b: 17.577 ± 0.005 Å
• c: 16.021 ± 0.004 Å
• α: 90°
• β: 97.542 ± 0.005°
• γ: 90°
• Cell volume: 2956.6 ± 1.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No