Information card for entry 2233823

Structure parameters

• Chemical name: <i>catena</i>-Poly[(diaquacadmium)- μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
• Formula: C16 H16 Cd O10 S
• Calculated formula: C16 H16 Cd O10 S
• SMILES: [Cd]12([OH2])([OH2])([O]=C(O1)COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCC1=[O][Cd](O1)([OH2])[OH2])[O]=C(O2)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1
• Title of publication: <i>catena</i>-Poly[(diaquacadmium)-μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
• Authors of publication: Ma, Zhan-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m267
• a: 11.9274 ± 0.0011 Å
• b: 5.3995 ± 0.0005 Å
• c: 14.8194 ± 0.0014 Å
• α: 90°
• β: 111.692 ± 0.001°
• γ: 90°
• Cell volume: 886.81 ± 0.14 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes