Information card for entry 4066635

Structure parameters

• Formula: C24 H16 N2 O2 Ru
• Calculated formula: C24 H16 N2 O2 Ru
• SMILES: [Ru]12([n]3ccccc3c3ccccc13)([n]1ccccc1c1ccccc21)(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: 9.0164 ± 0.0017 Å
• b: 13.376 ± 0.003 Å
• c: 16.487 ± 0.003 Å
• α: 90°
• β: 97.947 ± 0.003°
• γ: 90°
• Cell volume: 1969.3 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No