Information card for entry 4064925

Structure parameters

• Formula: C38 H50 N2 Yb
• Calculated formula: C38 H50 N2 Yb
• SMILES: [Yb]123456789([N](=C(C(=[N]1c1c(cccc1)C)C)C)c1c(cccc1)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Sterically Governed Redox Reactions. One-Electron Oxidation of Ytterbocenes by Diazabutadienes: Formation of Radical-Anionic Diazabutadiene vs Covalently Bonded Imino‒Amido Ligand
• Authors of publication: Trifonov, Alexander A.; Shestakov, Boris G.; Lyssenko, Konstantin A.; Larionova, Joulia; Fukin, Georgy K.; Cherkasov, Anton V.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 4882
• a: 11.1181 ± 0.0007 Å
• b: 19.0035 ± 0.0011 Å
• c: 15.8782 ± 0.001 Å
• α: 90°
• β: 96.636 ± 0.0011°
• γ: 90°
• Cell volume: 3332.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0249
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No