Information card for entry 7011942

Structure parameters

• Formula: C26 H34 Cu2 N4 O6
• Calculated formula: C26 H34 Cu2 N4 O6
• SMILES: C12C(=[O][Cu]34(O2)[N](=Cc2c(cccc2)O4)CCC[N]3(C)C)O[Cu]23([N](=Cc4c(cccc4)O3)CCC[N]2(C)C)[O]=1
• Title of publication: Synthesis, structure and magnetic properties of a mononuclear Cu(ii) complex with a NNO donor Schiff base ligand and its oxalato- and oxamidato-bridged dinuclear complexes
• Authors of publication: Saha, Manas Kumar; Dey, Dilip Kumar; Samanta, Brajagopal; Edwards, Andrew J.; Clegg, William; Mitra, Samiran
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 488
• a: 10.216 ± 0.001 Å
• b: 10.9109 ± 0.001 Å
• c: 23.883 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2662.1 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No