Information card for entry 2108750

Structure parameters

• Common name: sodium ethanolate ethanol disolvate
• Chemical name: sodium ethoxide ethanol disolvate
• Formula: C6 H17 Na O3
• Calculated formula: C6 H17 Na O3
• Title of publication: Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
• Authors of publication: Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• a: 11.622 ± 0.006 Å
• b: 5.1926 ± 0.0009 Å
• c: 17.682 ± 0.006 Å
• α: 90°
• β: 104.08 ± 0.03°
• γ: 90°
• Cell volume: 1035 ± 0.7 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 4
• 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: 0.1691
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2178
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes