Information card for entry 2207815

Structure parameters

• Chemical name: [4-(2-Aminoethyl)morpholine-k^2^N,N']aqua(oxalato-k^2^O,O')copper(II) monohydrate
• Formula: C8 H18 Cu N2 O7
• Calculated formula: C8 H18 Cu N2 O7
• SMILES: [Cu]12(OC(=O)C(=O)O1)([N]1(CCOCC1)CC[NH2]2)[OH2].O
• Title of publication: [4-(2-Aminoethyl)morpholine-κ^2^<i>N</i>,<i>N</i>']aqua(oxalato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate
• Authors of publication: Koćwin-Giełzak, Krystyna; Marciniak, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m155 - m157
• a: 6.824 ± 0.0014 Å
• b: 11.916 ± 0.002 Å
• c: 16.396 ± 0.003 Å
• α: 90°
• β: 108.76 ± 0.03°
• γ: 90°
• Cell volume: 1262.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes