Information card for entry 2219641

Structure parameters

• Chemical name: <i>catena</i>-poly[[[μ-aqua-aquadisilver(I)]-bis(μ~3~-5-methylpyrazine-2- carboxylato)] dihydrate]
• Formula: C12 H18 Ag2 N4 O8
• Calculated formula: C12 H18 Ag2 N4 O8
• SMILES: [Ag]1(OC(=O)c2[n]1cc(nc2)C)([OH2])([OH2])[n]1cc2[n](cc1C)[Ag](OC2=O)[n]1cc2[n](cc1C)[Ag](OC2=O)([OH2])([OH2])[n]1cc2[n](cc1C)[Ag]OC2=O.O.O.O.O
• Title of publication: A novel double-chain silver(I) coordination polymer: <i>catena</i>-poly[[[μ-aqua-aquadisilver(I)]-bis(μ~3~-5-methylpyrazine-2-carboxylato)] dihydrate]
• Authors of publication: Zhai, Bin; Zhang, Xiangfei; Xu, Maotian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1312 - m1313
• a: 6.9481 ± 0.0005 Å
• b: 10.1827 ± 0.0008 Å
• c: 13.483 ± 0.001 Å
• α: 107.503 ± 0.001°
• β: 100.185 ± 0.001°
• γ: 103.164 ± 0.001°
• Cell volume: 854.39 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes