Information card for entry 2214460

Structure parameters

• Chemical name: poly[aqua-μ~6~-malato-potassium(I)]
• Formula: C4 H7 K O6
• Calculated formula: C4 H7 K O6
• SMILES: [K+].O=C([O-])CC(O)C(=O)O.O
• Title of publication: A second <i>C</i>-centred monoclinic modification of racemic potassium hydrogen malate monohydrate
• Authors of publication: Ou, Guang-Chuan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m2004 - m2004
• a: 10.534 ± 0.001 Å
• b: 10.494 ± 0.001 Å
• c: 7.564 ± 0.0008 Å
• α: 90°
• β: 120.801 ± 0.001°
• γ: 90°
• Cell volume: 718.21 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes