Information card for entry 2223885

Structure parameters

• Chemical name: Poly[(μ~5~-5-carboxylatotetrahydrofuran-2,3,4-tricarboxylic acid)sodium]
• Formula: C8 H7 Na O9
• Calculated formula: C8 H7 Na O9
• SMILES: [Na+].O1[C@H]([C@@H]([C@@H]([C@H]1C(=O)[O-])C(=O)O)C(=O)O)C(=O)O
• Title of publication: Poly[(μ~5~-5-carboxylatotetrahydrofuran-2,3,4-tricarboxylic acid)sodium]
• Authors of publication: Xu, Jie; Chai, Wenxiang; Lin, Jian; Shi, Hongsheng; Shu, Kangying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1419 - m1420
• a: 8.0663 ± 0.0016 Å
• b: 13.417 ± 0.003 Å
• c: 9.7358 ± 0.0019 Å
• α: 90°
• β: 109.9 ± 0.03°
• γ: 90°
• Cell volume: 990.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes