Information card for entry 2202593

Structure parameters

• Common name: Potassium HQS monohydrate
• Chemical name: aqua(8-hydroxyquinoline-5-sulfonato-κ^2^N,O)potassium(I)
• Formula: C9 H8 K N O5 S
• Calculated formula: C9 H8 K N O5 S
• SMILES: [K+].S(=O)(=O)([O-])c1ccc(O)c2ncccc12.O
• Title of publication: Hydrogen-bonded supramolecular motifs in aqua(8-hydroxyquinoline-5-sulfonato-κ^2^<i>N,O</i>)potassium(I)
• Authors of publication: Savarimuthu Francis; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1154 - m1156
• a: 9.885 ± 0.002 Å
• b: 10.083 ± 0.002 Å
• c: 11.269 ± 0.003 Å
• α: 90°
• β: 101.14 ± 0.02°
• γ: 90°
• Cell volume: 1102 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes