Information card for entry 1544258

Structure parameters

• Formula: C16 H39 Li O6 Si3
• Calculated formula: C16 H39 Li O6 Si3
• SMILES: [Si]1([O]2CC[O](C)[Li]342[O](CCO[Si](C)(C)[C-]1[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: 9.531 ± 0.005 Å
• b: 17.403 ± 0.008 Å
• c: 15.039 ± 0.007 Å
• α: 90°
• β: 90.873 ± 0.006°
• γ: 90°
• Cell volume: 2494 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2205
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No