Information card for entry 2232639

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(triaquacadmium)-μ-1,4-phenylenediacetato-κ^4^<i>O</i>, <i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]
• Formula: C10 H18 Cd O9
• Calculated formula: C10 H18 Cd O9
• SMILES: [Cd]1([OH2])([OH2])([OH2])[O]=C(O1)Cc1ccc(cc1)CC1=[O][Cd]2(O1)([OH2])([OH2])([OH2])OC(=[O]2)Cc1ccc(CC(=O)[O-])cc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[(triaquacadmium)-μ-1,4-phenylenediacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]
• Authors of publication: Uebler, Jacob W.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1771
• a: 7.6878 ± 0.0007 Å
• b: 8.2295 ± 0.0008 Å
• c: 22.735 ± 0.002 Å
• α: 90°
• β: 95.752 ± 0.001°
• γ: 90°
• Cell volume: 1431.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0129
• Residual factor for significantly intense reflections: 0.0127
• Weighted residual factors for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections included in the refinement: 0.0313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes