Information card for entry 2210533

Structure parameters

• Chemical name: Triaqua[N-(5-formysalicylidene)glycinato(2-)-κ^3^O,N,O']zinc(II) monohydrate
• Formula: C10 H15 N O8 Zn
• Calculated formula: C10 H15 N O8 Zn
• SMILES: [Zn]12([N](=Cc3cc(ccc3O1)C=O)CC(=O)O2)([OH2])([OH2])[OH2].O
• Title of publication: Triaqua[<i>N</i>-(5-formysalicylidene)glycinato(2‒)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']zinc(II) monohydrate
• Authors of publication: Jin-Hua Cai; Ying-Heng Huang; Yi-Min Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2432 - m2434
• a: 11.232 ± 0.004 Å
• b: 7.759 ± 0.003 Å
• c: 30.973 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2699.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes