Information card for entry 2206304

Structure parameters

• Chemical name: catena-Poly[[[tetraaquacopper(II)]-μ-4,4'-bipyridine-κ^2^N:N'] 4-sulfonatobenzoate]
• Formula: C17 H20 Cu N2 O9 S
• Calculated formula: C17 H20 Cu N2 O9 S
• SMILES: [Cu]([n]1ccc(cc1)c1cc[n](cc1)[Cu]([OH2])([OH2])([OH2])[OH2])([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])c1ccc(C(=O)[O-])cc1.S(=O)(=O)([O-])c1ccc(C(=O)[O-])cc1
• Title of publication: <i>catena</i>-Poly[[[tetraaquacopper(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-sulfonatobenzoate]
• Authors of publication: Zhang, Li-Ping; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1264 - m1265
• a: 7.621 ± 0.0004 Å
• b: 10.4049 ± 0.0006 Å
• c: 13.155 ± 0.0008 Å
• α: 68.003 ± 0.001°
• β: 85.642 ± 0.001°
• γ: 78.651 ± 0.001°
• Cell volume: 948.28 ± 0.09 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: 0.034
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes