Information card for entry 2236647

Structure parameters

• Chemical name: Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde- κ<i>N</i>')]dicopper(II)(<i>Cu—Cu</i>)
• Formula: C20 H22 Cu2 N2 O10
• Calculated formula: C20 H22 Cu2 N2 O10
• SMILES: c1c(ccc[n]1[Cu]1234[O]=C(C)O[Cu]4([O]=C(O1)C)([n]1cc(ccc1)C=O)(OC(C)=[O]2)[O]=C(O3)C)C=O
• Title of publication: Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde-κ<i>N</i>')]dicopper(II)(<i>Cu{—</i>Cu})
• Authors of publication: Cruz-Enriquez, Adriana; Baez-Castro, Alberto; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, Jose J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1339 - m1340
• a: 7.4099 ± 0.0006 Å
• b: 8.4298 ± 0.0007 Å
• c: 10.0254 ± 0.0008 Å
• α: 100.353 ± 0.001°
• β: 108.975 ± 0.001°
• γ: 98.679 ± 0.001°
• Cell volume: 567.62 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0278
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes