Information card for entry 4065701

Structure parameters

• Formula: C29 H32 Er N
• Calculated formula: C29 H32 Er N
• SMILES: [Er]12345678(N(C(=C(c9ccccc9)c9ccccc9)C)C(C)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 20.675 ± 0.008 Å
• b: 10.789 ± 0.004 Å
• c: 23.493 ± 0.009 Å
• α: 90°
• β: 112.187 ± 0.004°
• γ: 90°
• Cell volume: 4852 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No