Information card for entry 2204146

Structure parameters

• Chemical name: catena-Poly[[[bis(1H-imidazole-κN^3^)zinc(II)]-μ-1,4- phenylenedioxydiacetatoκ^2^O:O'] tetrahydrate]
• Formula: C16 H24 N4 O10 Zn
• Calculated formula: C16 H24 N4 O10 Zn
• SMILES: [Zn]([n]1c[nH]cc1)([n]1c[nH]cc1)(OC(=O)COc1ccc(OCC(=O)O[Zn]([n]2c[nH]cc2)[n]2c[nH]cc2)cc1)OC(=O)COc1ccc(OCC(=O)[O-])cc1.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ-1,4-phenylenedioxydiacetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrate]
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1329 - m1330
• a: 11.323 ± 0.001 Å
• b: 18.517 ± 0.002 Å
• c: 41.438 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8688.2 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No