Information card for entry 2235794

Structure parameters

• Chemical name: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)- phenyl(pyridin-2-ylκ<i>N</i>)methylidene]benzohydrazidato- κ^2^<i>N</i>',<i>O</i>}copper(II))
• Formula: C42 H34 Cu2 N6 O6
• Calculated formula: C42 H34 Cu2 N6 O6
• SMILES: c1cc2C(c3ccccc3)=[N]3[Cu]4([n]2cc1)(OC(=N3)c1ccccc1)[O](C(=O)C)[Cu]12([N](=C(c3cccc[n]13)c1ccccc1)N=C(O2)c1ccccc1)[O]4C(=O)C
• Title of publication: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}copper(II))
• Authors of publication: Vineetha, M. C.; Sithambaresan, M.; Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1086 - m1087
• a: 9.5758 ± 0.0003 Å
• b: 13.1009 ± 0.0004 Å
• c: 15.2124 ± 0.0005 Å
• α: 90°
• β: 100.718 ± 0.001°
• γ: 90°
• Cell volume: 1875.13 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes