Information card for entry 2212296

Structure parameters

• Chemical name: catena-Poly[silver(I)-μ~3~-2-(pyrimidin-2-ylsulfanyl)acetate]
• Formula: C6 H5 Ag N2 O2 S
• Calculated formula: C6 H5 Ag N2 O2 S
• SMILES: [Ag]123[S](c4[n](cccn4)[Ag]45[O]6C(=O)C[S]([Ag]6[n]6cccnc6[S]4CC(=O)[O]25)c2ncccn2)CC(=O)[O]3[Ag]2[S](c3[n]1cccn3)CC(=O)O2
• Title of publication: <i>catena</i>-Poly[silver(I)-μ~3~-2-(pyrimidin-2-ylsulfanyl)acetate]: a one-dimensional chiral coordination polymer
• Authors of publication: Han, Lei; Zhou, Yan; Huang, Shi-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m455 - m457
• a: 7.2966 ± 0.0012 Å
• b: 5.0707 ± 0.0009 Å
• c: 20.238 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 748.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes