Information card for entry 2017828

Structure parameters

• Chemical name: Aqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide- κN)copper(II) 1.5 hydrate
• Formula: C20 H30 Cu2 N4 O17
• Calculated formula: C20 H30 Cu2 N4 O17
• Title of publication: Aqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide-κ<i>N</i>^1^)copper(II) sesquihydrate
• Authors of publication: Perec, Mireille; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m339 - m342
• a: 7.1545 ± 0.0002 Å
• b: 11.0251 ± 0.0003 Å
• c: 18.1342 ± 0.0005 Å
• α: 90°
• β: 98.349 ± 0.003°
• γ: 90°
• Cell volume: 1415.25 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes