Information card for entry 2213782

Structure parameters

• Chemical name: catena-poly[[diaqua(2,4-dihydroxybenzoato)cadmium(II)]-μ-2,4-dihydroxybenzoato]
• Formula: C14 H14 Cd O10
• Calculated formula: C14 H14 Cd O10
• SMILES: [Cd]12([O]=C(O1)c1c(O)cc(O)cc1)([O]=C(O2)c1c(O)cc(O)cc1)([OH2])([OH2])[OH]c1c(C2=[O][Cd]3(O2)([O]=C(O3)c2c(O)cc(O)cc2)([OH2])[OH2])ccc(O)c1
• Title of publication: A one-dimensional coordination polymer: <i>catena</i>-poly[[diaqua(2,4-dihydroxybenzoato)cadmium(II)]-μ-2,4-dihydroxybenzoato]
• Authors of publication: Wang, Zi-Liang; Wei, Lin-Heng; Niu, Ying-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1639 - m1639
• a: 11.964 ± 0.002 Å
• b: 7.7882 ± 0.0016 Å
• c: 33.893 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3158.1 ± 1.1 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes