Information card for entry 2203248

Structure parameters

• Chemical name: catena-Poly[[diaquazinc(II)-μ-benzene-1,3-dioxyacetate] dihydrate]
• Formula: C10 H16 O10 Zn
• Calculated formula: C10 H8 O10 Zn
• SMILES: [Zn](OC(=O)COc1cccc(OCC(=O)[O-])c1)([OH2])([OH2])OC(=O)COc1cccc(OCC(=O)O[Zn]([OH2])[OH2])c1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[diaquazinc(II)-μ-benzene-1,3-dioxyacetate] dihydrate]
• Authors of publication: Gao, Shan; Li, Jian-Rong; Liu, Ji-Wei; Huo, Li-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m140 - m141
• a: 8.604 ± 0.002 Å
• b: 27.271 ± 0.006 Å
• c: 5.914 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1387.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes