Information card for entry 2218593

Structure parameters

• Chemical name: Hexaaquanickel(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate]
• Formula: C26 H32 N2 Ni O14 S2
• Calculated formula: C26 H32 N2 Ni O14 S2
• SMILES: c1(ccc(cc1)/N=C/c1c(O)cccc1)S(=O)(=O)[O-].[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].c1(ccc(cc1)/N=C/c1c(O)cccc1)S(=O)(=O)[O-]
• Title of publication: Hexaaquanickel(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate]
• Authors of publication: Tai, Xi-Shi; Xu, Jun; Feng, Yi-Min; Liang, Zu-Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m893
• a: 6.3047 ± 0.0006 Å
• b: 35.193 ± 0.003 Å
• c: 9.3536 ± 0.001 Å
• α: 90°
• β: 131.822 ± 0.002°
• γ: 90°
• Cell volume: 1546.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0725
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes