Information card for entry 2014710

Structure parameters

• Chemical name: trans-Diaquabis(6-hydroxypicolinato-κ^2^N,O^2^)copper(II)
• Formula: C12 H12 Cu N2 O8
• Calculated formula: C12 H12 Cu N2 O8
• SMILES: c12cccc([n]2[Cu]2(OC1=O)([OH2])([n]1c(cccc1O)C(=O)O2)[OH2])O
• Title of publication: <i>trans</i>-Diaquabis(6-hydroxypicolinato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II)
• Authors of publication: S̨engül, Abdurrahman; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m119 - m121
• a: 6.1036 ± 0.0008 Å
• b: 7.2946 ± 0.0011 Å
• c: 8.5571 ± 0.0013 Å
• α: 99.605 ± 0.012°
• β: 92.776 ± 0.012°
• γ: 113.758 ± 0.011°
• Cell volume: 340.98 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0346
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No