Information card for entry 2203300

Structure parameters

• Chemical name: Aqua(malonato-κ^2^O,O')(pyridine-2-carboxamide-κ^2^N^1^,O)copper(II) monohydrate
• Formula: C9 H12 Cu N2 O7
• Calculated formula: C9 H12 Cu N2 O7
• SMILES: [Cu]12([n]3c(C(=[O]1)N)cccc3)(OC(=O)CC(=O)O2)[OH2].O
• Title of publication: Aqua(malonato-κ^2^<i>O,O</i>')(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)copper(II) monohydrate
• Authors of publication: Sieroń, Lesław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m297 - m299
• a: 8.0566 ± 0.0005 Å
• b: 8.7694 ± 0.0007 Å
• c: 10.4093 ± 0.0007 Å
• α: 68.54 ± 0.007°
• β: 81.355 ± 0.005°
• γ: 63.933 ± 0.007°
• Cell volume: 614.78 ± 0.09 ų
• Cell temperature: 293 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: 0.0425
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes