Information card for entry 1544261

Structure parameters

• Formula: C16 H39 K O6 Si3
• Calculated formula: C16 H39 K O6 Si3
• SMILES: [K]12345[O](CC[O]1[Si]([C-]([Si]([O]2CC[O]5C)(C)C)[Si]([O]3CC[O]4C)(C)C)(C)C)C
• Title of publication: Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.
• Authors of publication: Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 1316 - 1328
• a: 8.698 ± 0.006 Å
• b: 18.417 ± 0.012 Å
• c: 16.289 ± 0.011 Å
• α: 90°
• β: 90.2 ± 0.01°
• γ: 90°
• Cell volume: 2609 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No