Information card for entry 7115807

Structure parameters

• Formula: C36 H78 K2 Mg2 Si6
• Calculated formula: C36 H78 K2 Mg2 Si6
• Title of publication: Potassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates
• Authors of publication: Sharon E. Baillie; Tobias D. Bluemke; William Clegg; Alan R. Kennedy; Jan Klett; Luca Russo; Marco de Tullio; Eva Hevia
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12859
• a: 12.0299 ± 0.0013 Å
• b: 10.6135 ± 0.001 Å
• c: 19.818 ± 0.0017 Å
• α: 90°
• β: 95.26 ± 0.009°
• γ: 90°
• Cell volume: 2519.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No