Information card for entry 4063656

Structure parameters

• Formula: C59 H41 Cl2 N O2 Ru2
• Calculated formula: C59 H41 Cl2 N O2 Ru2
• SMILES: [Ru]1234567([Ru]89%10%11([n]%12ccccc%12[c]%121[c]2([cH]3[c]14cccc[c]5%121)C(=C%11c1ccccc1)c1ccccc1)([C]6(=[C]8(c1ccccc1)[C]9(c1ccccc1)=[C]7%10c1ccccc1)c1ccccc1)C#[O])C#[O].C(Cl)Cl
• 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: 11.7745 ± 0.0017 Å
• b: 12.896 ± 0.002 Å
• c: 15.508 ± 0.002 Å
• α: 100.362 ± 0.003°
• β: 91.551 ± 0.003°
• γ: 90.523 ± 0.003°
• Cell volume: 2315.3 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No