Information card for entry 2224725

Structure parameters

• Chemical name: <i>catena</i>-Poly[4,4'-bipyridinium [[diaquadisulfatocadmium(II)]-μ-4,4'- bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Formula: C20 H26 Cd N4 O12 S2
• Calculated formula: C20 H26 Cd N4 O12 S2
• SMILES: [Cd](OS(=O)(=O)[O-])([OH2])([OH2])(OS(=O)(=O)[O-])([n]1ccc(c2ccncc2)cc1)[n]1ccc(cc1)c2cc[n](cc2)[Cd]([OH2])([OH2])(OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.O.O.O.[nH+]1ccc(cc1)c1cc[nH+]cc1.[nH+]1ccc(cc1)c1cc[nH+]cc1
• Title of publication: <i>catena</i>-Poly[4,4'-bipyridinium [[diaquadisulfatocadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Xu, Wei; Huang, Bi-Ju; Qiu, Ling-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m44
• a: 7.015 ± 0.0014 Å
• b: 9.4166 ± 0.0019 Å
• c: 10.02 ± 0.002 Å
• α: 74.69 ± 0.03°
• β: 88.95 ± 0.03°
• γ: 77.89 ± 0.03°
• Cell volume: 623.7 ± 0.2 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: 0.0264
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes