Information card for entry 4073102

Structure parameters

• Formula: C54 H58 N4 Yb
• Calculated formula: C54 H58 N4 Yb
• SMILES: [Yb]123456([n]7c(cccc7)C=[N]1c1c(cccc1C(C)C)C(C)C)([n]1ccccc1[C@@H](N2c1c(cccc1C(C)C)C(C)C)[C@@H]1C=Cc2ccccc12)[cH]1[cH]5[cH]6[c]23cccc[c]412.[Yb]123456([n]7c(cccc7)C=[N]1c1c(cccc1C(C)C)C(C)C)([n]1ccccc1[C@H](N2c1c(cccc1C(C)C)C(C)C)[C@H]1C=Cc2ccccc12)[cH]1[cH]5[cH]6[c]23cccc[c]412
• 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: 11.2187 ± 0.0007 Å
• b: 11.8654 ± 0.0008 Å
• c: 18.0649 ± 0.0012 Å
• α: 94.078 ± 0.002°
• β: 90.889 ± 0.002°
• γ: 113.353 ± 0.001°
• Cell volume: 2199.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No