Information card for entry 7225403

Structure parameters

• Formula: C13 H16 Cu N4 O4 S
• Calculated formula: C13 H16 Cu N4 O4 S
• SMILES: c12ccccc1[N]1=NC(=C(C)N3[Cu]1([NH2]CC3)OS2(=O)=O)C(=O)C
• Title of publication: Reaction of sodium 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl) benzenesulfonate with ethylenediamine on Cu(II) and Ni(II) centres: efficient Cu(II) homogeneous catalysts for cyanosilylation of aldehydes
• Authors of publication: Mahmoud, Abdallah G.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.1923 ± 0.001 Å
• b: 8.6543 ± 0.0016 Å
• c: 16.704 ± 0.003 Å
• α: 81.729 ± 0.005°
• β: 88.354 ± 0.006°
• γ: 78.606 ± 0.006°
• Cell volume: 728.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No