Information card for entry 7105191

Structure parameters

• Formula: C23 H32 N5 O5 Ru
• Calculated formula: C23 H32 N5 O5 Ru
• SMILES: C12c3cccc[n]3[Ru]34(N1N(C(=O)N(C(C)C)N=2)C(C)C)(OC(=CC(C)=[O]3)C)OC(=CC(C)=[O]4)C
• Title of publication: Verdazyl radicals as redox-active, non-innocent, ligands: contrasting electronic structures as a function of electron-poor and electron-rich ruthenium bis(beta-diketonate) co-ligands.
• Authors of publication: McKinnon, Stephen D J; Patrick, Brian O; Lever, A B P; Hicks, Robin G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 773 - 775
• a: 15.2304 ± 0.001 Å
• b: 11.8338 ± 0.0008 Å
• c: 28.86 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5201.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No