Information card for entry 2219056

Structure parameters

• Chemical name: Aqua[4-(hydroxyiminomethyl)pyridine-κ<i>N</i>^1^](pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)
• Formula: C13 H11 Cu N3 O6
• Calculated formula: C13 H11 Cu N3 O6
• SMILES: [Cu]12([n]3ccc(cc3)C=NO)([n]3c(C(=O)O1)cccc3C(=O)O2)[OH2]
• Title of publication: Aqua[4-(hydroxyiminomethyl)pyridine-κ<i>N</i>^1^](pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)
• Authors of publication: Mutambi, E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m979 - m980
• a: 6.7826 ± 0.0002 Å
• b: 7.1858 ± 0.0003 Å
• c: 14.8746 ± 0.0006 Å
• α: 76.154 ± 0.002°
• β: 87.152 ± 0.001°
• γ: 69.739 ± 0.001°
• Cell volume: 659.91 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes