Information card for entry 4063659

Structure parameters

• Formula: C29 H15 N O7 Ru3
• Calculated formula: C29 H15 N O7 Ru3
• SMILES: [Ru]1234([Ru]56789([Ru]1(C#[O])(C#[O])(C#[O])[C]3(c1ccccc1)=[CH]4[c]16[c]5(c3[n]2cccc3)[c]29[c]8([cH]71)cccc2)(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: 9.7376 ± 0.0015 Å
• b: 15.292 ± 0.002 Å
• c: 17.301 ± 0.003 Å
• α: 90°
• β: 91.758 ± 0.002°
• γ: 90°
• Cell volume: 2575 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No