Information card for entry 2225259

Structure parameters

• Chemical name: Di-μ-acetato-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(isonicotinamide-κ<i>N</i>)copper(II)]
• Formula: C32 H36 Cu2 N8 O12
• Calculated formula: C32 H36 Cu2 N8 O12
• SMILES: c1cc(cc[n]1[Cu]1([n]2ccc(cc2)C(=O)N)([O]=C(C)O[Cu]([n]2ccc(cc2)C(=O)N)([n]2ccc(cc2)C(=O)N)([O]=C(C)O1)OC(=O)C)OC(=O)C)C(=O)N
• Title of publication: Di-μ-acetato-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(isonicotinamide-κ<i>N</i>)copper(II)]
• Authors of publication: Perec, Mireille; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m275 - m276
• a: 10.91 ± 0.002 Å
• b: 11.462 ± 0.002 Å
• c: 15.644 ± 0.003 Å
• α: 90°
• β: 104.05 ± 0.03°
• γ: 90°
• Cell volume: 1897.8 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes