Information card for entry 2231771

Structure parameters

• Chemical name: Aqua[4-(hydroxyiminomethyl)pyridine-κ<i>N</i>^1^](iminodiacetato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
• Formula: C10 H13 Cu N3 O6
• Calculated formula: C10 H13 Cu N3 O6
• SMILES: [Cu]12([NH](CC(=O)O2)CC(=O)O1)([OH2])[n]1ccc(cc1)/C=N/O
• Title of publication: Aqua[4-(hydroxyiminomethyl)pyridine-κ<i>N</i>^1^](iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
• Authors of publication: Yang, Yisheng; Chai, Wenxiang; Song, Li; Yang, Yunyun; Chen, Jiongke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1291 - m1292
• a: 5.52 ± 0.007 Å
• b: 6.715 ± 0.009 Å
• c: 17.21 ± 0.02 Å
• α: 93.41 ± 0.02°
• β: 93.952 ± 0.013°
• γ: 106.52 ± 0.02°
• Cell volume: 608 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes