Information card for entry 4064436

Structure parameters

• Formula: C19 H11 N3 O9 Ru3
• Calculated formula: C19 H11 N3 O9 Ru3
• SMILES: C12N(C=CN1Cc1cccc3[n]1[Ru]14=2(C#[O])(C#[O])[H][Ru]31(C#[O])(C#[O])(C#[O])[Ru]4(C#[O])(C#[O])(C#[O])C#[O])C
• Title of publication: Different Reactivities of Pyrid-2-yl- and 6-Picol-2-yl-Functionalized NHC Ligands with [Ru3(CO)12]: C(sp2)−H and Double C(sp3)−H Bond Activation Reactions
• Authors of publication: Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2371
• a: 8.8048 ± 0.0001 Å
• b: 15.4284 ± 0.0001 Å
• c: 17.3768 ± 0.0001 Å
• α: 90°
• β: 102.304 ± 0.001°
• γ: 90°
• Cell volume: 2306.31 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No