Information card for entry 2203991

Structure parameters

• Chemical name: Aqua[N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ^4^O,N,O',O'']copper(II)
• Formula: C11 H12 Cu N2 O8
• Calculated formula: C11 H12 Cu N2 O8
• SMILES: [Cu]123([N](Cc4cc(ccc4[OH]1)N(=O)=O)(CC(=O)O2)CC(=O)O3)[OH2]
• Title of publication: Aqua[<i>N</i>-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ^4^<i>O,N,O</i>',<i>O</i>'']copper(II)
• Authors of publication: Meng, Bianhong; Gao, Fei; Du, Xiuqing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1103 - m1105
• a: 15.341 ± 0.011 Å
• b: 7.4 ± 0.005 Å
• c: 12.149 ± 0.009 Å
• α: 90°
• β: 98.902 ± 0.011°
• γ: 90°
• Cell volume: 1362.6 ± 1.7 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: 0.0914
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes