Information card for entry 4073103

Structure parameters

• Formula: C54 H66 N6 Yb
• Calculated formula: C54 H66 N6 Yb
• SMILES: [n]12c(C=[N]([Yb]342([N](c2c(cccc2C(C)C)C(C)C)=Cc2[n]3cccc2)[N](c2c(cccc2C(C)C)C(C)C)=Cc2[n]4cccc2)c2c(cccc2C(C)C)C(C)C)cccc1
• Title of publication: Steric Manipulation of the Reductive Reactivity of Ytterbocenes toward 2-(((2,6-Diisopropylphenyl)imino)methyl)pyridine: Insertion of the NC Bond into the Yb−Indenyl Bond or Oxidative Cleavage of the η5Yb−Cp (Cp = C13H9, Cp*) Bond
• Authors of publication: Trifonov, Alexander A.; Fedorova, Elena A.; Borovkov, Ivan A.; Fukin, Georgy K.; Baranov, Evguenii V.; Larionova, Joulia; Druzhkov, Nikolai O.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2488
• a: 18.573 ± 0.0008 Å
• b: 18.573 ± 0.0008 Å
• c: 25.1943 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7526.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No