Information card for entry 7024005

Structure parameters

• Formula: C56 H48 Cu4 N12 O26
• Calculated formula: C56 H48 Cu4 N12 O26
• SMILES: c12cccc3c1[O]1[Cu]45([O]=C(N[N]4=C3)c3ccccc3)[OH]c3cccc4c3[O]5[Cu]35([O]=C(N[N]3=C4)c3ccccc3)[OH]c3cccc4c3[O]5[Cu]35([O]=C(N[N]3=C4)c3ccccc3)[OH]c3cccc4c3[O]5[Cu]31([O]=C(N[N]3=C4)c1ccccc1)[OH]2.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Tautomeric effect of hydrazone Schiff bases in tetranuclear Cu(ii) complexes: magnetism and catalytic activity towards mild hydrocarboxylation of alkanes.
• Authors of publication: Sutradhar, Manas; Kirillova, Marina V.; Guedes da Silva, M Fátima C; Liu, Cai-Ming; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 47
• Pages of publication: 16578 - 16587
• a: 12.0456 ± 0.0007 Å
• b: 23.9461 ± 0.0013 Å
• c: 24.6163 ± 0.0013 Å
• α: 97.909 ± 0.002°
• β: 90.993 ± 0.003°
• γ: 95.943 ± 0.002°
• Cell volume: 6991.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.89
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No