Information card for entry 4066638

Structure parameters

• Formula: C21 H13 N O5 Ru2
• Calculated formula: C21 H13 N O5 Ru2
• SMILES: [Ru]12([Ru]3456(C#[O])(C#[O])[c]7(c8[n]1cccc8)[c]13[c]4(cccc1)[cH]5[c]67C2C)(C#[O])(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: 9.016 ± 0.0019 Å
• b: 9.2492 ± 0.0019 Å
• c: 13.378 ± 0.003 Å
• α: 70.03 ± 0.003°
• β: 79.719 ± 0.003°
• γ: 73.811 ± 0.003°
• Cell volume: 1002.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No