Information card for entry 2225580

Structure parameters

• Chemical name: Diaqua[<i>N</i>-(5-nitro-2-oxidobenzylidene)glycinato]copper(II) dihydrate
• Formula: C9 H14 Cu N2 O9
• Calculated formula: C9 H14 Cu N2 O9
• SMILES: [Cu]12([N](=Cc3c(O1)ccc(N(=O)=O)c3)CC(=O)O2)([OH2])[OH2].O.O
• Title of publication: Diaqua[<i>N</i>-(5-nitro-2-oxidobenzylidene)glycinato]copper(II) dihydrate
• Authors of publication: Zou, Yang; Jiang, Yin-Zhi; Wang, Wei-Zu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m455
• a: 17.306 ± 0.004 Å
• b: 10.837 ± 0.002 Å
• c: 7.185 ± 0.002 Å
• α: 90°
• β: 91.63 ± 0.01°
• γ: 90°
• Cell volume: 1347 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.615
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes