Information card for entry 2240515

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquacadmium(II)]-μ-3,3'-(1,3-phenylene)diacrylato]
• Formula: C12 H12 Cd O6
• Calculated formula: C12 H12 Cd O6
• SMILES: [Cd]12([OH2])([OH2])(OC(=O1)/C=C/c1cc(ccc1)/C=C/C(=O)[O-])[O]=C(O2)/C=C/c1cc(ccc1)/C=C/C(=[O]1)O[Cd]1([OH2])[OH2]
• Title of publication: Crystal structure of <i>catena</i>-poly[[diaquacadmium(II)]-μ-3,3'-(1,3-phenylene)diacrylato]
• Authors of publication: Zhang, Xiao-Ping; Chen, Xin; Huang, Kun-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: m91 - m92
• a: 5.3145 ± 0.0012 Å
• b: 11.991 ± 0.003 Å
• c: 19.767 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1259.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes