Information card for entry 4000872

Structure parameters

• Formula: C31 H61 Li Mg3 O5
• Calculated formula: C31 H61 Li Mg3 O5
• SMILES: [Mg]12([O]3(C4CCCCC4)[Mg]4([O]5(C6CCCCC6)[Mg]([O]1(C1CCCCC1)[Li]35[O]1CCCC1)([O]24C1CCCCC1)C)C)C
• Title of publication: Molecular Heterobimetallic Approach to Li-Containing MgO Nanoparticles with Variable Li-Concentrations Using Lithium-Methylmagnesium Alkoxide Clusters
• Authors of publication: Heitz, Stephan; Epping, Jan-Dirk; Aksu, Yilmaz; Driess, Matthias
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 16
• Pages of publication: 4563
• a: 20.1503 ± 0.0006 Å
• b: 9.3143 ± 0.0003 Å
• c: 19.2849 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3619.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No