Information card for entry 4000935

Structure parameters

• Formula: C16 H40 Mg4 O4
• Calculated formula: C16 H40 Mg4 O4
• SMILES: CC([O]12[Mg]3([O]4(C(C)C)[Mg]1([O]1(C(C)C)[Mg]2([O]3([Mg]41C)C(C)C)C)C)C)C
• Title of publication: Methylmagnesium Alkoxide Clusters with Mg4O4Cubane- and Mg7O8Biscubane-Like Cores: Organometallic Precursors for Low-Temperature Formation of MgO Nanoparticles with Variable Surface Defects
• Authors of publication: Heitz, Stephan; Aksu, Yilmaz; Merschjann, Christoph; Driess, Matthias
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 1376
• a: 9.5351 ± 0.0018 Å
• b: 9.4676 ± 0.0016 Å
• c: 14.329 ± 0.004 Å
• α: 90°
• β: 107.82 ± 0.02°
• γ: 90°
• Cell volume: 1231.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2191
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No