Information card for entry 2229418

Structure parameters

• Chemical name: Dichlorido{2-(morpholin-4-yl)-<i>N</i>-[1-(pyridin-2-yl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) monohydrate
• Formula: C13 H21 Cl2 Cu N3 O2
• Calculated formula: C13 H21 Cl2 Cu N3 O2
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3C(=[N]1CC[N]12CCOCC1)C.O
• Title of publication: Dichlorido{2-(morpholin-4-yl)-<i>N</i>-[1-(pyridin-2-yl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) monohydrate
• Authors of publication: Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m334
• a: 7.9194 ± 0.0008 Å
• b: 8.5793 ± 0.0008 Å
• c: 22.925 ± 0.002 Å
• α: 90°
• β: 91.981 ± 0.001°
• γ: 90°
• Cell volume: 1556.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes