Information card for entry 2216049

Structure parameters

• Chemical name: catena-Poly[[[aquasilver(I)]-μ-2,3-dimethylpyrazine-κ^2^N:N'] 4-amino-2,5-dichlorobenzenesulfonate]
• Formula: C12 H14 Ag Cl2 N3 O4 S
• Calculated formula: C12 H14 Ag Cl2 N3 O4 S
• SMILES: [Ag]([n]1c(c(ncc1)C)C)([OH2])[n]1c(c([n]([Ag][OH2])cc1)C)C.Clc1c(S(=O)(=O)[O-])cc(Cl)c(N)c1.Clc1c(S(=O)(=O)[O-])cc(Cl)c(N)c1
• Title of publication: <i>catena</i>-Poly[[[aquasilver(I)]-μ-2,3-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>'] 4-amino-2,5-dichlorobenzenesulfonate]
• Authors of publication: Hai-Yan Liu; Ji-Cheng Ma; Jin Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2734 - m2735
• a: 7.162 ± 0.004 Å
• b: 16.298 ± 0.009 Å
• c: 13.721 ± 0.006 Å
• α: 90°
• β: 103.26 ± 0.02°
• γ: 90°
• Cell volume: 1558.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes