Information card for entry 2207311

Structure parameters

• Chemical name: Poly[2-aminopyridinium [aquacuprate(II)-μ~4~-5-sulfonatosalicylato]]
• Formula: C12 H12 Cu N2 O7 S
• Calculated formula: C12 H12 Cu N2 O7 S
• SMILES: [Cu]12([O](C(=O)c3c(O1)ccc(S(=O)(=O)[O-])c3)[Cu]1([OH2])[O]2C(=O)c2c(O1)ccc(S(=O)(=O)[O-])c2)[OH2].Nc1[nH+]cccc1.O.Nc1[nH+]cccc1
• Title of publication: Poly[2-aminopyridinium [aquacuprate(II)-μ~4~-5-sulfonatosalicylato]]
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2187 - m2189
• a: 7.7274 ± 0.0009 Å
• b: 8.0856 ± 0.001 Å
• c: 12.1577 ± 0.0015 Å
• α: 84.323 ± 0.002°
• β: 77.986 ± 0.002°
• γ: 69.051 ± 0.001°
• Cell volume: 693.62 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No