Information card for entry 4067382

Structure parameters

• Formula: C29 H36 N3 O P Ru
• Calculated formula: C29 H36 N3 O P Ru
• SMILES: [Ru]12([P](C)(C)C)([N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cccc1C)C)C)C)c1c(cccc1C)C)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: 14.83 ± 0.004 Å
• b: 9.657 ± 0.003 Å
• c: 18.883 ± 0.005 Å
• α: 90°
• β: 99.623 ± 0.002°
• γ: 90°
• Cell volume: 2666.2 ± 1.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No