Information card for entry 2004895

Structure parameters

• Chemical name: bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II)
• Formula: C26 H22 Cu N4 O6
• Calculated formula: C26 H22 Cu N4 O6
• SMILES: [Cu]12([n]3cc(ccc3)C(=O)N)([O]=C(c3ccccc3)O1)([n]1cccc(c1)C(=O)N)[O]=C(c1ccccc1)O2
• Title of publication: Bis(benzoato-<i>O</i>,<i>O</i>')bis(nicotinamide-<i>N</i>)copper(II)
• Authors of publication: Leban, I.; Segedin, P.; Gruber, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1096 - 1098
• a: 20.054 ± 0.004 Å
• b: 13.005 ± 0.003 Å
• c: 9.611 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2506.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1785
• Weighted residual factors for significantly intense reflections: 0.1224
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes