Information card for entry 2205319

Structure parameters

• Chemical name: Hexaaquazinc(II) naphthalene-1,5-disulfonate'
• Formula: C10 H18 O12 S2 Zn
• Calculated formula: C10 H18 O12 S2 Zn
• SMILES: c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-].[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Hexaaquazinc(II) naphthalene-1,5-disulfonate
• Authors of publication: Huo, Li-Hua; Gao, Shan; Xu, Shixiao; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m449 - m450
• a: 13.237 ± 0.003 Å
• b: 6.6598 ± 0.0013 Å
• c: 9.6849 ± 0.0019 Å
• α: 90°
• β: 92.27 ± 0.03°
• γ: 90°
• Cell volume: 853.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes