Information card for entry 7709370

Structure parameters

• Formula: C44 H56 Li2 N6
• Calculated formula: C44 H56 Li2 N6
• SMILES: N1([Li]23[N](=C(C=C1C)C)c1[n]([Li]4N(C(=CC(=[N]24c2[n]3cccc2)C)C)c2c(C(C)C)cccc2C(C)C)cccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Lithium and magnesium complexes from the employment of pyridyl-pendanted unsymmetrical β-diketiminates: syntheses and utilization as catalysts for the hydroboration of carbonyl compounds
• Authors of publication: Li, Yafei; Pan, Huifen; Lu, Yanhua; Luo, Yanshu; Dang, Yan; Wang, Yalan; Xia, Shengwang; Li, Yahong; Xia, Yuanzhi
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.25 ± 0.0008 Å
• b: 17.6853 ± 0.0011 Å
• c: 21.044 ± 0.0015 Å
• α: 90°
• β: 93.665 ± 0.002°
• γ: 90°
• Cell volume: 4178.3 ± 0.5 ų
• Cell temperature: 189 ± 2 K
• Ambient diffraction temperature: 189 K
• Number of distinct elements: 4
• 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: 0.113
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No