Information card for entry 2224106

Structure parameters

• Chemical name: Aqua[<i>N</i>-(2,5-dihydroxybenzyl)iminodiacetato]copper(II)
• Formula: C11 H13 Cu N O7
• Calculated formula: C11 H13 Cu N O7
• SMILES: [Cu]123(OC(=O)C[N]3(CC(=O)O1)Cc1c([OH]2)ccc(O)c1)[OH2]
• Title of publication: Aqua[<i>N</i>-(2,5-dihydroxybenzyl)iminodiacetato]copper(II)
• Authors of publication: Zhang, Xiu-Qing; Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1393
• a: 13.0461 ± 0.0016 Å
• b: 9.7919 ± 0.0012 Å
• c: 19.374 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2475 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0271
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes