Information card for entry 2206000

Structure parameters

• Chemical name: catena-Poly[[triaquacadmium(II)]-μ-4-carboxylatophenoxyacetato- κ^4^O,O':O'',O''']
• Formula: C9 H12 Cd O8
• Calculated formula: C9 H12 Cd O8
• SMILES: [Cd]1([OH2])([OH2])([OH2])[O]=C(O1)COc1ccc(cc1)C1=[O][Cd]2(O1)([OH2])([OH2])([OH2])[O]=C(O2)COc1ccc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[triaquacadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^4^<i>O,O</i>':<i>O</i>'',<i>O</i>''']
• Authors of publication: Gao, Shan; Gu, Chang-Sheng; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1092 - m1094
• a: 7.1306 ± 0.0014 Å
• b: 16.417 ± 0.003 Å
• c: 10.2 ± 0.002 Å
• α: 90°
• β: 99.74 ± 0.03°
• γ: 90°
• Cell volume: 1176.8 ± 0.4 ų
• Cell temperature: 295 ± 3 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 4
• 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: 0.0332
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes