Information card for entry 2013153

Structure parameters

• Chemical name: catena-poly[[[diaquazinc(II)]-μ-oxydiacetato]hydrate]
• Formula: C4 H10 O8 Zn
• Calculated formula: C4 H10 O8 Zn
• SMILES: [Zn]12(OC(=O)C[O]1CC(=O)O2)([OH2])([OH2])[O]=C1O[Zn]2([OH2])([OH2])OC(=O)C[O]2C1.O.O
• Title of publication: A new polymeric phase of zinc(II) oxydiacetate
• Authors of publication: Baggio, Ricardo; Garland, María Teresa; Perec, Mireille
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m30 - m32
• a: 7.132 ± 0.001 Å
• b: 10.375 ± 0.001 Å
• c: 11.1 ± 0.001 Å
• α: 90°
• β: 91.35 ± 0.01°
• γ: 90°
• Cell volume: 821.11 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.064
• 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: Yes