Information card for entry 2203090

Structure parameters

• Chemical name: Hexaaquacobalt(II) 1,5-naphthalenedisulfonate
• Formula: C10 H18 Co O12 S2
• Calculated formula: C10 H18 Co O12 S2
• SMILES: c1cc(S(=O)(=O)[O-])c2c(c(ccc2)S(=O)(=O)[O-])c1.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Hexaaquacobalt(II) 1,5-naphthalenedisulfonate
• Authors of publication: An, Dao-Li; Gao, Shan; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m111 - m112
• a: 13.195 ± 0.003 Å
• b: 6.668 ± 0.001 Å
• c: 9.666 ± 0.002 Å
• α: 90°
• β: 92.14 ± 0.03°
• γ: 90°
• Cell volume: 849.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes