Information card for entry 2218036

Structure parameters

• Chemical name: Hexaaquacobalt(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate]
• Formula: C26 H32 Co N2 O14 S2
• Calculated formula: C26 H32 Co N2 O14 S2
• SMILES: c1(ccc(cc1)/N=C/c1c(O)cccc1)S(=O)(=O)[O-].[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].c1(ccc(cc1)/N=C/c1c(O)cccc1)S(=O)(=O)[O-]
• Title of publication: Hexaaquacobalt(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate]
• Authors of publication: Tai, Xi-Shi; Feng, Yi-Min; Kong, Fan-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m645
• a: 6.3216 ± 0.0013 Å
• b: 35.211 ± 0.003 Å
• c: 6.9924 ± 0.0015 Å
• α: 90°
• β: 90.186 ± 0.002°
• γ: 90°
• Cell volume: 1556.4 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes