Information card for entry 4064927

Structure parameters

• Formula: C28 H31 N2 Yb
• Calculated formula: C28 H31 N2 Yb
• SMILES: [Yb]123456789([N](=C(C(N1c1ccccc1)C)C)c1ccccc1)([c]1([cH]2[cH]3[cH]4[cH]51)C)[c]1([cH]9[cH]8[cH]7[cH]61)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: 9.6373 ± 0.0007 Å
• b: 15.6545 ± 0.0011 Å
• c: 15.947 ± 0.0012 Å
• α: 90°
• β: 105.535 ± 0.001°
• γ: 90°
• Cell volume: 2318 ± 0.3 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: 0.0462
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No