Information card for entry 2217603

Structure parameters

• Chemical name: <i>catena</i>-poly[[[triaquacadmium(II)]-[μ-2,2'-(5-methyl-1,3- phenylenedioxy)diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']] monohydrate]
• Formula: C11 H18 Cd O10
• Calculated formula: C11 H18 Cd O10
• SMILES: [Cd]12([O]=C(COc3cc(cc(c3)C)OCC(=O)[O-])O1)([OH2])([OH2])([OH2])[O]=C(O2)COc1cc(cc(c1)C)OCC1=[O][Cd](O1)([OH2])([OH2])[OH2].O.O
• Title of publication: A one-dimensional zigzag coordination polymer: <i>catena</i>-poly[[[triaquacadmium(II)]-[μ-2,2'-(5-methyl-1,3-phenylenedioxy)diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']] monohydrate]
• Authors of publication: Lin, Ying; Wei, Yun; Wei, Xian-Wen; Zhang, Hong-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m280 - m281
• a: 7.3792 ± 0.0011 Å
• b: 8.6946 ± 0.0012 Å
• c: 11.9495 ± 0.0017 Å
• α: 85.294 ± 0.019°
• β: 82.52 ± 0.02°
• γ: 88.44 ± 0.02°
• Cell volume: 757.48 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 274 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes