Information card for entry 2218019

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquacadmium(II)]bis(μ-pyridine-3-sulfonato)- κ^2^N:O;κ^2^O:N]
• Formula: C10 H12 Cd N2 O8 S2
• Calculated formula: C10 H12 Cd N2 O8 S2
• SMILES: [Cd]1([OH2])([OH2])(OS(=O)(=O)c2c[n](ccc2)[Cd]([OH2])(OS(=O)(=O)c2c[n]1ccc2)[OH2])(OS(=O)(=O)c1cnccc1)[n]1cc(S(=O)(=O)[O-])ccc1
• Title of publication: <i>catena</i>-Poly[[diaquacadmium(II)]bis(μ-pyridine-3-sulfonato)-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>]
• Authors of publication: Qiu, Zhi-Hui; Liang, Fu-Pei; Ruan, Qing-Feng; Zhao, Shan-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m588
• a: 7.748 ± 0.0011 Å
• b: 13.264 ± 0.002 Å
• c: 7.3291 ± 0.0011 Å
• α: 90°
• β: 97.081 ± 0.002°
• γ: 90°
• Cell volume: 747.46 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes