Information card for entry 2226185

Structure parameters

• Chemical name: Poly[μ~2~-aqua-(μ~3~-2,5-dichlorobenzenesulfonato)sodium]
• Formula: C6 H5 Cl2 Na O4 S
• Calculated formula: C6 H5 Cl2 Na O4 S
• SMILES: [Na+].S(=O)(=O)([O-])c1cc(Cl)ccc1Cl.O
• Title of publication: Poly[μ~2~-aqua-(μ~3~-2,5-dichlorobenzenesulfonato)sodium]
• Authors of publication: Al-Dajani, Mohammad T. M.; Abdallah, Hassan H.; Mohamed, Nornisah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m699
• a: 17.2461 ± 0.001 Å
• b: 5.4568 ± 0.0003 Å
• c: 10.7178 ± 0.0006 Å
• α: 90°
• β: 106.19 ± 0.002°
• γ: 90°
• Cell volume: 968.64 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.0406
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes