Information card for entry 2220160

Structure parameters

• Common name: Sodium 1,4 anhydroerythritolate
• Chemical name: Poly[[μ-1,4-anhydroerythritolato-di-μ-aqua-sodium(I)] monohydrate]
• Formula: C4 H13 Na O6
• Calculated formula: C4 H13 Na O6
• SMILES: [Na+].O1C[C@H](O)[C@H]([O-])C1.O.O.O
• Title of publication: Poly[[μ-1,4-anhydroerythritolato-di-μ-aqua-sodium(I)] monohydrate]
• Authors of publication: Kerscher, Tobias; Zeller, Patrick; Mayer, Peter; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1637
• a: 23.155 ± 0.006 Å
• b: 6.09 ± 0.0016 Å
• c: 14.543 ± 0.005 Å
• α: 90°
• β: 127.678 ± 0.017°
• γ: 90°
• Cell volume: 1623.1 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes