Information card for entry 2218132

Structure parameters

• Chemical name: Hexaaquacadmium(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate] dihydrate
• Formula: C26 H36 Cd N2 O16 S2
• Calculated formula: C26 H36 Cd N2 O16 S2
• SMILES: c1(ccc(cc1)S(=O)(=O)[O-])/N=C/c1c(O)cccc1.[OH2][Cd]([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(ccc(cc1)/N=C/c1c(O)cccc1)S(=O)(=O)[O-].O
• Title of publication: Hexaaquacadmium(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate] dihydrate
• 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: 5
• Pages of publication: m694
• a: 18.464 ± 0.002 Å
• b: 6.1488 ± 0.0008 Å
• c: 14.5701 ± 0.0012 Å
• α: 90°
• β: 92.226 ± 0.002°
• γ: 90°
• Cell volume: 1652.9 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes