Information card for entry 2235338

Structure parameters

• Chemical name: Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate
• Formula: C24 H30 N4 Ni O12 S2
• Calculated formula: C24 H30 N4 Ni O12 S2
• SMILES: [Ni]12([N](c3ccc(S(=O)(=O)[O-])cc3)=Cc3cccc[n]13)([N](c1ccc(S(=O)(=O)[O-])cc1)=Cc1cccc[n]21)([OH2])[OH2].O.O.O.O
• Title of publication: Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate
• Authors of publication: Li, Chao-Zhu; Huang, Xue-Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m809 - m810
• a: 13.865 ± 0.002 Å
• b: 11.531 ± 0.0018 Å
• c: 18.86 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3015.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes