Information card for entry 2218215

Structure parameters

• Chemical name: Tetraaquabis(pyridine-3-sulfonato-κ<i>N</i>)nickel(II)
• Formula: C10 H16 N2 Ni O10 S2
• Calculated formula: C10 H16 N2 Ni O10 S2
• SMILES: c1ccc(c[n]1[Ni]([OH2])([OH2])([n]1cccc(S(=O)(=O)[O-])c1)([OH2])[OH2])S(=O)(=O)[O-]
• Title of publication: Tetraaquabis(pyridine-3-sulfonato-κ<i>N</i>)nickel(II)
• Authors of publication: Zhang, Bing-Yu; Nie, Jing-Jing; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m679
• a: 7.5399 ± 0.0008 Å
• b: 12.6939 ± 0.0015 Å
• c: 8.781 ± 0.0008 Å
• α: 90°
• β: 97.419 ± 0.012°
• γ: 90°
• Cell volume: 833.4 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes