Information card for entry 2237260

Structure parameters

• Chemical name: Aqua{2-(pyridin-2-yl)-<i>N</i>-[(pyridin-2-yl)methylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(sulfato-κ^2^<i>O</i>,<i>O</i>')copper(II) tetrahydrate
• Formula: C13 H23 Cu N3 O9 S
• Calculated formula: C13 H23 Cu N3 O9 S
• SMILES: [Cu]12([N](=Cc3[n]1cccc3)CCc1[n]2cccc1)(OS(=O)(=O)[O-])[OH2].O.O.O.O
• Title of publication: Aqua{2-(pyridin-2-yl)-<i>N</i>-[(pyridin-2-yl)methylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(sulfato-κ^2^<i>O</i>,<i>O</i>')copper(II) tetrahydrate
• Authors of publication: Tinguiano, Daniel; Sow, Mouhamadou Moustapha; Tamboura, Farba Bouyagui; Barry, Aliou Hamady; Gaye, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m24 - m25
• a: 10.7315 ± 0.0017 Å
• b: 23.605 ± 0.004 Å
• c: 7.6478 ± 0.0012 Å
• α: 90°
• β: 96.523 ± 0.003°
• γ: 90°
• Cell volume: 1924.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No