Information card for entry 2203701

Structure parameters

• Chemical name: Aqua[2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^N,N',O]copper(II) nitrate monohydrate
• Formula: C13 H15 Cu N3 O6
• Calculated formula: C13 H15 Cu N3 O6
• SMILES: [Cu]12([N](=Cc3ccccc3O1)Cc1[n]2cccc1)[OH2].O=N(=O)[O-].O
• Title of publication: Aqua[2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II) nitrate monohydrate
• Authors of publication: You, Zhong-Lu; Chen, Bo; Zhu, Hai-Liang; Liu, Wei-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m884 - m886
• a: 7.777 ± 0.002 Å
• b: 8.993 ± 0.002 Å
• c: 11.389 ± 0.002 Å
• α: 71.25 ± 0.03°
• β: 86.18 ± 0.03°
• γ: 86.88 ± 0.03°
• Cell volume: 752.1 ± 0.3 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: 0.055
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes