Information card for entry 2213791

Structure parameters

• Chemical name: Hexaaquamagnesium(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate]
• Formula: C26 H32 Mg N2 O14 S2
• Calculated formula: C26 H32 Mg N2 O14 S2
• SMILES: c1(ccccc1O)/C=N/c1ccc(S(=O)(=O)[O-])cc1.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].c1(ccccc1O)/C=N/c1ccc(S(=O)(=O)[O-])cc1
• Title of publication: Hexaaquamagnesium(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate]
• Authors of publication: Li-Hua Wang; Jie Yin; Xi-Shi Tai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1664 - m1664
• a: 6.2997 ± 0.0017 Å
• b: 35.313 ± 0.009 Å
• c: 6.9561 ± 0.0019 Å
• α: 90°
• β: 90.75 ± 0.01°
• γ: 90°
• Cell volume: 1547.3 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes