Information card for entry 4067380

Structure parameters

• Formula: C27 H27 N3 O2 Ru
• Calculated formula: C27 H27 N3 O2 Ru
• SMILES: [Ru]12([N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cccc1C)C)C)C)c1c(cccc1C)C)(C#[O])C#[O]
• Title of publication: Low-Valent Ruthenium Complexes of the Non-innocent 2,6-Bis(imino)pyridine Ligand
• Authors of publication: Gallagher, Michelle; Wieder, Noah L.; Dioumaev, Vladimir K.; Carroll, Patrick J.; Berry, Donald H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 591
• a: 14.7586 ± 0.0008 Å
• b: 13.6043 ± 0.0008 Å
• c: 24.0237 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4823.5 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No