Information card for entry 2209280

Structure parameters

• Chemical name: Tetrakis(β-picoline)disilver(I)(Ag—Ag) bis(2-amino-5-chlorobenzenesulfonate) dihydrate
• Formula: C36 H42 Ag2 Cl2 N6 O8 S2
• Calculated formula: C36 H42 Ag2 Cl2 N6 O8 S2
• SMILES: c1c(ccc[n]1[Ag][n]1cc(ccc1)C)C.Nc1c(S(=O)(=O)[O-])cc(cc1)Cl.O
• Title of publication: Tetrakis(β-picoline)disilver(I)(<i>Ag{—</i>Ag}) bis(2-amino-5-chlorobenzenesulfonate) dihydrate
• Authors of publication: Hua Wu; Xian-Wu Dong; Jian-Fang Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1227 - m1228
• a: 12.491 ± 0.003 Å
• b: 13.427 ± 0.003 Å
• c: 12.984 ± 0.003 Å
• α: 90°
• β: 105.02 ± 0.03°
• γ: 90°
• Cell volume: 2103.2 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No