Information card for entry 2225892

Structure parameters

• Chemical name: <i>catena</i>-Poly[[silver(I)-[μ-4-(2-pyridyl)pyrimidine-2-sulfonato]] monohydrate]
• Formula: C9 H8 Ag N3 O4 S
• Calculated formula: C9 H8 Ag N3 O4 S
• SMILES: [Ag]123([n]4ccccc4c4[n]1c(S(=O)(=O)O2)ncc4)[n]1c2[n]4[Ag]([n]5ccccc5c4cc1)OS2(=O)=[O]3.O.O
• Title of publication: <i>catena</i>-Poly[[silver(I)-[μ-4-(2-pyridyl)pyrimidine-2-sulfonato]] monohydrate]
• Authors of publication: Zhu, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m514
• a: 6.902 ± 0.0003 Å
• b: 13.6228 ± 0.0006 Å
• c: 12.1337 ± 0.0005 Å
• α: 90°
• β: 99.975 ± 0.002°
• γ: 90°
• Cell volume: 1123.62 ± 0.08 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: 0.0307
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes