Information card for entry 7053577

Structure parameters

• Formula: C27 H68 Al K N4 Si2
• Calculated formula: C27 H68 Al K N4 Si2
• SMILES: [Al]([N]([Si](C)(C)C)([Si](C)(C)C)[K]12[N](CC[N]1(CC[N]2(C)C)C)(C)C)(CC(C)C)(CC(C)C)CC(C)C
• Title of publication: Structural insights into mono-amido tris-alkyl potassium aluminates
• Authors of publication: Conway, Ben; García-Álvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Robertson, Stuart D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1707
• a: 11.5276 ± 0.0006 Å
• b: 18.4028 ± 0.0008 Å
• c: 17.3602 ± 0.0009 Å
• α: 90°
• β: 93.669 ± 0.005°
• γ: 90°
• Cell volume: 3675.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.796
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No