Information card for entry 4066637

Structure parameters

• Formula: C27 H17 N O5 Ru2
• Calculated formula: C27 H17 N O5 Ru2
• SMILES: [Ru]12345([Ru]6(C#[O])(C#[O])(C#[O])[n]7ccccc7[c]71[c]12[c]3(cccc1)[cH]4[c]57C6Cc1ccccc1)(C#[O])C#[O]
• Title of publication: Pyridyl-Substituted Indenyl Ruthenium Complexes: Synthesis, Structures, and Reactivities
• Authors of publication: Chen, Dafa; Zhang, Xi; Xu, Shansheng; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3418
• a: 8.8321 ± 0.0009 Å
• b: 17.606 ± 0.0014 Å
• c: 15.6816 ± 0.0014 Å
• α: 90°
• β: 94.609 ± 0.005°
• γ: 90°
• Cell volume: 2430.6 ± 0.4 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: 0.0745
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No