Information card for entry 2006594

Structure parameters

• Chemical name: bis(salicylato)bis(nicotinamide)copper(II)
• Formula: C26 H22 Cu N4 O8
• Calculated formula: C26 H22 Cu N4 O8
• SMILES: [Cu]([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)(OC(=O)c1c(cccc1)O)OC(=O)c1c(cccc1)O
• Title of publication: Bis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>,<i>O</i>')copper(II), the Monoclinic Form
• Authors of publication: Leban, Ivan; Kozlevčar, Bojan; Sieler, Joachim; Šegedin, Primož
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1420 - 1422
• a: 10.834 ± 0.001 Å
• b: 9.75 ± 0.001 Å
• c: 12.381 ± 0.001 Å
• α: 90°
• β: 99 ± 0.01°
• γ: 90°
• Cell volume: 1291.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.0757
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No