Information card for entry 7015342

Structure parameters

• Formula: C22 H26 As2 Cu2 N4 O12
• Calculated formula: C22 H26 As2 Cu2 N4 O12
• SMILES: c12ccccc1[N]1[Cu]3([O]([As]2(O)=O)[Cu]24(OC(=C(C(=O)C)N=[N]2c2c(cccc2)[As]([O]34)(=O)O)C)[OH2])(OC(=C(N=1)C(=O)C)C)[OH2]
• 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: 7.9753 ± 0.0004 Å
• b: 9.0989 ± 0.0004 Å
• c: 10.328 ± 0.0006 Å
• α: 112.022 ± 0.004°
• β: 94.776 ± 0.006°
• γ: 98.031 ± 0.004°
• Cell volume: 680.42 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No