Information card for entry 2311389

Structure parameters

• Chemical name: Bis[tetrakis(tetrahydrofuran-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']dimagnesiate
• Formula: C118 H186 Li2 Mg2 O14
• Calculated formula: C118 H186 Li2 Mg2 O14
• SMILES: c12c(c(C(C)(C)C)cc(c2)C(C)(C)C)[O]2[Mg]34Oc5c(cc(C(C)(C)C)cc5C5c6cc(C(C)(C)C)cc(C(C)(C)C)c6O[Mg]2(Oc2c(C1c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)cc(cc2C(C)(C)C)C(C)(C)C)[O]4c1c(cc(C(C)(C)C)cc51)C(C)(C)C)C(C)(C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ⁴<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']-dimagnesiate.
• Authors of publication: Zhou, Hongyan; Wang, Lei
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 7
• Pages of publication: 1026 - 1028
• a: 13.6185 ± 0.0004 Å
• b: 22.6439 ± 0.0018 Å
• c: 18.5341 ± 0.0006 Å
• α: 90°
• β: 90.811 ± 0.003°
• γ: 90°
• Cell volume: 5714.9 ± 0.5 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: 0.094
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No