Information card for entry 2223668

Structure parameters

• Chemical name: <i>catena</i>-Poly[[sodium-di-μ-β-D-glucose] chloride]
• Formula: C12 H24 Cl Na O12
• Calculated formula: C12 H24 Cl Na O12
• SMILES: [Na+].[C@H]1([C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O.O[C@H]3[C@@H](O)O[C@H](CO)[C@H]([C@@H]3O)O.[Cl-]
• Title of publication: <i>catena</i>-Poly[[sodium-di-μ-β-<small>D</small>-glucose] chloride]
• Authors of publication: Wong, K. C.; Hamid, Abdul; Baharuddin, S.; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1308 - m1309
• a: 16.3795 ± 0.0004 Å
• b: 16.3795 ± 0.0004 Å
• c: 17.4232 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4048.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes