Information card for entry 4335466

Structure parameters

• Formula: C34 H49 N6 O9 Ru2
• Calculated formula: C34 H49 N6 O9 Ru2
• SMILES: C1(=O)N(C(C)C)N2C3c4n(c(cc(C)[n]4[Ru]45([N]=3N1C(C)C)([O]=C(C)C=C(C)O4)OC(=CC(C)=[O]5)C)C)[Ru]132([O]=C(C)C=C(C)O1)OC(=CC(C)=[O]3)C
• Title of publication: Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New "Spin" on Mixed Valency
• Authors of publication: Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8053 - 8066
• a: 23.5778 ± 0.0008 Å
• b: 23.0939 ± 0.0008 Å
• c: 8.1395 ± 0.0003 Å
• α: 90°
• β: 101.639 ± 0.002°
• γ: 90°
• Cell volume: 4340.9 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No