Information card for entry 4065706

Structure parameters

• Formula: C38 H42 Er N O
• Calculated formula: C38 H42 Er N O
• SMILES: [Er]123456789%10%11(N([C]1(=[C]2([C]13=CC=CC=C1)c1ccccc1)c1ccccc1)C(C)(C)C)([cH]1[cH]7[cH]6[cH]5[cH]41)[cH]1[cH]8[cH]9[cH]%10[cH]%111.O1CCCC1
• 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: 13.628 ± 0.004 Å
• b: 9.119 ± 0.003 Å
• c: 25.399 ± 0.008 Å
• α: 90°
• β: 98.926 ± 0.005°
• γ: 90°
• Cell volume: 3118.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No