Information card for entry 2229569

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquacadmium]-μ-2,2'-(1,2-phenylenedioxy)diacetato] monohydrate]
• Formula: C10 H14 Cd O9
• Calculated formula: C10 H14 Cd O9
• SMILES: [Cd]123(OC(=O)C[O]1c1ccccc1[O]2CC(=O)O3)([OH2])([OH2])[O]=C1C[O]2[Cd]3(OC(=O)C[O]3c3ccccc23)(O1)([OH2])[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[[diaquacadmium]-μ-2,2'-(1,2-phenylenedioxy)diacetato] monohydrate]
• Authors of publication: Hou, Huan-Fu; Zhang, Xiu-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m342
• a: 7.624 ± 0.001 Å
• b: 7.156 ± 0.001 Å
• c: 23.19 ± 0.002 Å
• α: 90°
• β: 93.083 ± 0.001°
• γ: 90°
• Cell volume: 1263.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes