Information card for entry 7015348

Structure parameters

• Formula: C14 H14 Cu N4 O5 S
• Calculated formula: C14 H14 Cu N4 O5 S
• 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: 4.9947 ± 0.0003 Å
• b: 8.5337 ± 0.0005 Å
• c: 19.0626 ± 0.001 Å
• α: 87.866 ± 0.003°
• β: 82.974 ± 0.003°
• γ: 76.536 ± 0.003°
• Cell volume: 784.21 ± 0.08 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: 0.0631
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No