Information card for entry 8102298

Structure parameters

• Chemical name: Monoaquabis(pyridine-2-carboxylato-N,O)copper(II)
• Formula: C12 H10 Cu N2 O5
• Calculated formula: C12 H10 Cu N2 O5
• SMILES: [Cu]12([OH2])(OC(=O)c3[n]1cccc3)OC(=O)c1[n]2cccc1
• Title of publication: Crystal structure of monoaqua-bis(pyridine-2-carboxylato-κ2N,O)copper(II), Cu(H2O)(C6H4NO2)2
• Authors of publication: Jian-Ping Zou; Qiu-Ju Xing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 273
• a: 12.731 ± 0.003 Å
• b: 12.945 ± 0.003 Å
• c: 14.871 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2450.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No