Information card for entry 2200720

Structure parameters

• Common name: 8-Hydroxyquinoline-5-sulfonic acid nickel(II)
• Chemical name: [Tetraaqua(quinolinolato-N,O]-5-sulfonic nickel(II)]monohydrate
• Formula: C9 H15 N Ni O9 S
• Calculated formula: C9 H15 N Ni O9 S
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])1Oc2ccc(S(=O)(=O)[O-])c3ccc[n]1c23.O
• Title of publication: Tetraaqua(8-hydroxyquinoline-5-sulfonato-<i>N,O</i>)nickel(II) monohydrate
• Authors of publication: Baskar Raj, Savarimuthu; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Righi, Lara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m591 - m594
• a: 7.366 ± 0.002 Å
• b: 9 ± 0.002 Å
• c: 21.456 ± 0.002 Å
• α: 90°
• β: 93.73 ± 0.02°
• γ: 90°
• Cell volume: 1419.4 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No