Information card for entry 2210208

Structure parameters

• Chemical name: Triaqua[N-(5-formysalicylidene)glycinato(2-)-κ^3^O,N,O']nickel(II) monohydrate
• Formula: C10 H15 N Ni O8
• Calculated formula: C10 H15 N Ni O8
• SMILES: [Ni]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>']nickel(II) monohydrate
• Authors of publication: Xu-Hui Liu; Jin-Hua Cai; Yi-Min Jiang; Ying-Heng Huang; Xiu-Ju Yin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2119 - m2121
• a: 11.158 ± 0.004 Å
• b: 7.674 ± 0.003 Å
• c: 30.95 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2650.1 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No