Information card for entry 2015970

Structure parameters

• Chemical name: <i>catena</i>-poly[[[aquacopper(II)]-μ-<i>N</i>-(3-carboxy-2- oxidobenzylidene-κO^2^)glycinato-κ^3^N,O':O'] monohydrate]
• Formula: C10 H11 Cu N O7
• Calculated formula: C10 H11 Cu N O7
• SMILES: [Cu]12([N](=Cc3cccc(C(=O)O)c3O1)CC(=O)O2)([OH2])[O]=C1O[Cu]2([OH2])Oc3c(C(=O)O)cccc3C=[N]2C1.O.O
• Title of publication: A novel helical copper complex: <i>catena</i>-poly[[[aquacopper(II)]-μ-<i>N</i>-(3-carboxy-2-oxidobenzylidene-κ<i>O</i>^2^)glycinato-κ^3^<i>N</i>,<i>O</i>':<i>O</i>'] monohydrate]
• Authors of publication: Cai, Jin-Hua; Wu, Zhi-Hong; Huang, Ying-Heng; Yin, Xu-Ju; Jiang, Yi-Min
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m267 - m269
• a: 8.314 ± 0.002 Å
• b: 6.968 ± 0.002 Å
• c: 19.46 ± 0.002 Å
• α: 90°
• β: 90.645 ± 0.005°
• γ: 90°
• Cell volume: 1127.3 ± 0.4 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: 0.0581
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes