Information card for entry 4000936

Structure parameters

• Formula: C30 H74 Mg7 O8
• Calculated formula: C30 H74 Mg7 O8
• SMILES: CCC[O]12[Mg]345([O]6(CCC)[Mg]1([O]1(CCC)[Mg]2([O]3([Mg]61C)CCC)C)C)[O]1([Mg]2([O]5([Mg]3([O]4([Mg]1([O]23CCC)C)CCC)C)CCC)C)CCC
• 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: 10.2934 ± 0.0006 Å
• b: 10.8204 ± 0.0004 Å
• c: 11.5065 ± 0.0006 Å
• α: 79.617 ± 0.004°
• β: 68.439 ± 0.005°
• γ: 74.077 ± 0.004°
• Cell volume: 1141.64 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No