Information card for entry 2222686

Structure parameters

• Chemical name: Poly[hemi-μ-aqua-[μ-2-(2-bromobenzenesulfonamido)benzoato]sodium(I)]
• Formula: C13 H10 Br N Na O4.5 S
• Calculated formula: C13 H10 Br N Na O4.5 S
• SMILES: c1(ccc(cc1)Br)S(=O)(=O)Nc1ccccc1C(=O)[O-].[Na+].O
• Title of publication: Poly[hemi-μ-aqua-[μ-2-(2-bromobenzenesulfonamido)benzoato]sodium(I)]
• Authors of publication: Khan, Islam Ullah; Arshad, Muhammad Nadeem; Akkurt, Mehmet; Mustafa, Ghulam; Shafiq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m982
• a: 9.1683 ± 0.0006 Å
• b: 9.2722 ± 0.0005 Å
• c: 18.4183 ± 0.0012 Å
• α: 97.717 ± 0.002°
• β: 101.837 ± 0.002°
• γ: 101.467 ± 0.002°
• Cell volume: 1476.64 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes