Information card for entry 2242923

Structure parameters

• Common name: Potassium chloridotris(hypersiloxy)aluminate dimer
• Chemical name: Di-μ~3~-chlorido-bis[μ~2~-tris(trimethylsilyl)silanolato]tetrakis[tris(trimethylsilyl)silanolato]dialuminiumdipotassium
• Formula: C54 H162 Al2 Cl2 K2 O6 Si24
• Calculated formula: C54 H162 Al2 Cl2 K2 O6 Si24
• SMILES: [K]12[O]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Al](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Cl]1[K]1[O]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Al](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Cl]12
• Title of publication: Potassium chloridotris(hypersiloxy)aluminate dimer
• Authors of publication: Purdy, Andrew P.; Butcher, Raymond J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 714 - 716
• a: 18.8247 ± 0.0003 Å
• b: 13.885 ± 0.0002 Å
• c: 22.2056 ± 0.0004 Å
• α: 90°
• β: 109.413 ± 0.002°
• γ: 90°
• Cell volume: 5474.14 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes