Information card for entry 2208360

Structure parameters

• Chemical name: catena-Poly[[[cis-diaqua(2,2'-bipyridine)cadmium(II)]-μ-3-sulfonatobenzoato] monohydrate]
• Formula: C17 H18 Cd N2 O8 S
• Calculated formula: C17 H18 Cd N2 O8 S
• SMILES: [Cd]1([n]2ccccc2c2[n]1cccc2)(OS(=O)(=O)c1cccc(c1)C(=O)[O-])([OH2])([OH2])OC(=O)c1cccc(S(=O)(=O)O[Cd]2([n]3ccccc3c3[n]2cccc3)([OH2])[OH2])c1.O.O
• Title of publication: <i>catena</i>-Poly[[[<i>cis</i>-diaqua(2,2'-bipyridine)cadmium(II)]-μ-3-sulfonatobenzoato] monohydrate]
• Authors of publication: Miao, Xiao-He; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m548 - m550
• a: 8.0131 ± 0.0016 Å
• b: 29.833 ± 0.006 Å
• c: 8.486 ± 0.0017 Å
• α: 90°
• β: 110.914 ± 0.003°
• γ: 90°
• Cell volume: 1895 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No