Information card for entry 2215522

Structure parameters

• Chemical name: catena-Poly[[diaquacadmium(II)]-μ-3,3'-(p-phenylene)diacrylato]
• Formula: C12 H12 Cd O6
• Calculated formula: C12 H12 Cd O6
• SMILES: [Cd]12([OH2])([OH2])([O]=C(O1)/C=C/c3ccc(cc3)/C=C/C(=O)[O-])[O]=C(O2)/C=C/c1ccc(cc1)/C=C/C(=[O]1)O[Cd]1([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquacadmium(II)]-μ-3,3'-(<i>p</i>-phenylene)diacrylato]
• Authors of publication: Chun-Bo Liu; Lu Lu; Zhan-Lin Xu; Qing-Wei Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2595 - m2595
• a: 11.857 ± 0.003 Å
• b: 5.3296 ± 0.0014 Å
• c: 20.03 ± 0.005 Å
• α: 90°
• β: 94.983 ± 0.004°
• γ: 90°
• Cell volume: 1261 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0206
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes