Information card for entry 2235644

Structure parameters

• Chemical name: Tetraaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N'</i>)nickel(II) sulfate
• Formula: C10 H16 N2 Ni O8 S
• Calculated formula: C10 H16 N2 Ni O8 S
• SMILES: [Ni]1([n]2c(c3[n]1cccc3)cccc2)([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Tetraaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate
• Authors of publication: Boonlue, Sujirat; Theppitak, Chatphorn; Chainok, Kittipong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m908
• a: 12.3035 ± 0.0007 Å
• b: 11.656 ± 0.0007 Å
• c: 20.7112 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2970.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes