Information card for entry 2213653

Structure parameters

• Chemical name: Aquapyridinesilver(I) 4-amino-2,5-dichlorobenzenesulfonate dihydrate
• Formula: C11 H15 Ag Cl2 N2 O6 S
• Calculated formula: C11 H15 Ag Cl2 N2 O6 S
• SMILES: [Ag]([n]1ccccc1)[OH2].c1(c(cc(c(c1)Cl)N)Cl)S(=O)(=O)[O-].O.O
• Title of publication: Aquapyridinesilver(I) 4-amino-2,5-dichlorobenzenesulfonate dihydrate
• Authors of publication: Shangguan, Shao-Ping; Li, Yu-Jie; Wu, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1680 - m1680
• a: 9.325 ± 0.002 Å
• b: 7.6101 ± 0.0013 Å
• c: 12.3466 ± 0.0019 Å
• α: 90°
• β: 95.365 ± 0.013°
• γ: 90°
• Cell volume: 872.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes