Information card for entry 2232338

Structure parameters

• Chemical name: Poly[[diaquabis(μ~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-μ~2~- pyrazine-tetrasilver(I)] dihydrate]
• Formula: C26 H28 Ag4 N6 O16 S2
• Calculated formula: C26 H28 Ag4 N6 O16 S2
• SMILES: [Ag]([OH2])([n]1cc[n](cc1)[Ag]OC(=O)c1c(O)ccc(c1)S(=O)(=O)[O-])[n]1cc[n](cc1)[Ag]([OH2])[n]1cc[n](cc1)[Ag]OC(=O)c1c(O)ccc(c1)S(=O)(=O)[O-].O.O
• Title of publication: Poly[[diaquabis(μ~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-μ~2~-pyrazine-tetrasilver(I)] dihydrate]
• Authors of publication: Liu, Ying-Ying; Wang, Shen-Tang; Yan, Yong-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1545
• a: 7.646 ± 0.005 Å
• b: 10.34 ± 0.004 Å
• c: 11.375 ± 0.004 Å
• α: 78.751 ± 0.003°
• β: 73.436 ± 0.004°
• γ: 82.882 ± 0.005°
• Cell volume: 843.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes