Information card for entry 4069787

Structure parameters

• Formula: C21 H39 N2 Si3 Yb
• Calculated formula: C21 H39 N2 Si3 Yb
• SMILES: [Yb]123456789%10([N]%11([Si](C)(C)[c]%125[c]6([c]7([c]8([c]9%12C)C)C)C)[CH]1=[CH]2[CH]3=[CH]4%11)N([Si](C)(C)C)[Si]([CH2]%10)(C)C
• Title of publication: C−H and Si−N Bond Oxygenations of a Divalent Ytterbium Amide of the Pyrrolyl-Cyclopentadienyl Ligand
• Authors of publication: Hao, Jingjun; Song, Haibin; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 3970
• a: 9.0936 ± 0.0018 Å
• b: 28.185 ± 0.006 Å
• c: 10.081 ± 0.002 Å
• α: 90°
• β: 97.94 ± 0.03°
• γ: 90°
• Cell volume: 2559 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0661
• 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