Information card for entry 2220353

Structure parameters

• Chemical name: Sodium 2-iodobenzenesulfonate monohydrate
• Formula: C6 H6 I Na O4 S
• Calculated formula: C6 H6 I Na O4 S
• Title of publication: Sodium 2-iodobenzenesulfonate monohydrate
• Authors of publication: Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Siddiqui, Waseeq Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1628
• a: 13.6141 ± 0.0004 Å
• b: 8.8233 ± 0.0003 Å
• c: 7.8493 ± 0.0003 Å
• α: 90°
• β: 92.171 ± 0.001°
• γ: 90°
• Cell volume: 942.19 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0227
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes