Information card for entry 7105766

Structure parameters

• Formula: C12 H33 Mg Na Si3
• Calculated formula: C12 H33 Mg Na Si3
• SMILES: [Mg](C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.[Na+]
• Title of publication: Synthesis and Characterization of an Infinite Sheet of Metal-Alkyl Bonds: Unfolding the Elusive Structure of an Unsolvated Alkali-Metal Trisalkylmagnesiate
• Authors of publication: Sharon Baillie; William Clegg; Pablo Garcia-Alvarez; Eva Hevia; Alan R. Kennedy; Jan Klett; Luca Russo
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 388
• a: 16.8522 ± 0.0004 Å
• b: 12.7158 ± 0.0004 Å
• c: 19.3676 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4150.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No