Information card for entry 4346460

Structure parameters

• Formula: C22 H50 Al Li N2 Si2
• Calculated formula: C22 H50 Al Li N2 Si2
• SMILES: [Si]([C]12[Al]([C]3([Si](C)(C)C)=[C]4([C]=1(C)[Li]1234[N](CC[N]1(C)C)(C)C)C)(CC)CC)(C)(C)C
• Title of publication: Lithium Aluminate Complexes and Alumoles from 1,4-Dilithio-1,3-Butadienes and AlEt2Cl.
• Authors of publication: Zhang, Yongliang; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10695 - 10700
• a: 11.8597 ± 0.0005 Å
• b: 11.9837 ± 0.0005 Å
• c: 20.1438 ± 0.0008 Å
• α: 90°
• β: 95.59 ± 0.004°
• γ: 90°
• Cell volume: 2849.3 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No