Information card for entry 2018479

Structure parameters

• Chemical name: <i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)- 2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']
• Formula: C9 H7 Ag N4 O4 S
• Calculated formula: C9 H7 Ag N4 O4 S
• SMILES: [Ag]1(ON(=O)=O)[O]=S(c2nccc[n]12)c2cc[n](cc2)[Ag]1(ON(=O)=O)[O]=S(c2nccc[n]12)c2ccncc2
• Title of publication: Supramolecular framework in <i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)-2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']
• Authors of publication: Wan, Chong-Qing; Wang, Zi-Jia; Qiao, Peng; Wang, Zhi-Wei; Li, Ai-Min
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m117 - m120
• a: 4.9972 ± 0.0001 Å
• b: 21.8972 ± 0.0006 Å
• c: 10.4994 ± 0.0003 Å
• α: 90°
• β: 90.668 ± 0.001°
• γ: 90°
• Cell volume: 1148.82 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes