Information card for entry 2008136

Structure parameters

• Chemical name: trans-diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)
• Formula: C26 H26 Cu N4 O10
• Calculated formula: C26 H26 Cu N4 O10
• SMILES: [Cu]([OH2])([OH2])(OC(=O)c1c(O)cccc1)(OC(=O)c1c(O)cccc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N
• Title of publication: <i>trans</i>-Diaquabis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>)copper(II)
• Authors of publication: Petrovčič, Nina; Kozlevčar, Bojan; Golič, Ljubo; Leban, Ivan; Šegedin, Primož
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 176 - 178
• a: 7.442 ± 0.001 Å
• b: 18.29 ± 0.001 Å
• c: 10.284 ± 0.001 Å
• α: 90°
• β: 104.74 ± 0.01°
• γ: 90°
• Cell volume: 1353.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes