Information card for entry 4065708

Structure parameters

• Formula: C23 H28 Er N
• Calculated formula: C23 H28 Er N
• SMILES: [Er]123456789([N](=C(C1c1ccccc1)C)C(C)(C)C)([cH]1[cH]3[cH]4[cH]5[cH]21)[cH]1[cH]7[cH]8[cH]9[cH]61
• Title of publication: Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes
• Authors of publication: Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2111
• a: 27.581 ± 0.01 Å
• b: 8.893 ± 0.003 Å
• c: 33.879 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8310 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1664
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No