Information card for entry 2224701

Structure parameters

• Chemical name: Aqua(6,6'-oxydipicolinato-κ^2^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')copper(II)
• Formula: C12 H8 Cu N2 O6
• Calculated formula: C12 H8 Cu N2 O6
• SMILES: [Cu]123([n]4c(C(=O)O2)cccc4Oc2[n]3c(C(=O)O1)ccc2)[OH2]
• Title of publication: Aqua(6,6'-oxydipicolinato-κ^2^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')copper(II)
• Authors of publication: Sun, Jingya; Tong, Xiangdi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m70
• a: 7.2487 ± 0.0016 Å
• b: 21.055 ± 0.004 Å
• c: 8.2269 ± 0.0017 Å
• α: 90°
• β: 110.201 ± 0.009°
• γ: 90°
• Cell volume: 1178.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes