Information card for entry 7015345

Structure parameters

• Formula: C22 H30 Cu N4 O14 S2
• Calculated formula: C22 H30 Cu N4 O14 S2
• SMILES: c1(c(N/N=C(C(=O)C)\C(=[O][Cu]([O]=C(/C(=N\Nc2c(cccc2)S(=O)(=O)[O-])C(=O)C)C)([OH2])([OH2])([OH2])[OH2])C)cccc1)S(=O)(=O)[O-]
• Title of publication: Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.
• Authors of publication: Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2822 - 2836
• a: 9.6052 ± 0.0002 Å
• b: 13.5156 ± 0.0002 Å
• c: 11.6369 ± 0.0002 Å
• α: 90°
• β: 108.934 ± 0.0008°
• γ: 90°
• Cell volume: 1428.97 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No