Information card for entry 7062689

Structure parameters

• Formula: C22 H26 N2 O7 U
• Calculated formula: C22 H26 N2 O7 U
• SMILES: [U]123(Oc4c(C=[N]2[C@@H]2[C@H]([N]3=Cc3cccc(OC)c3O1)CCCC2)cccc4OC)([OH2])(=O)=O
• Title of publication: Uranyl N2O2-Schiff base complex as co-catalyst in ethanol electro-oxidation: synthesis, crystallographic, spectroscopic, electrochemical, and DFT characterization, and catalytic investigation
• Authors of publication: Barbosa, Elizomar Medeiros; Soares, Kaique Souza; Cruz, Julianna Ferreira; Doring, Thiago Henrique; de França, Igor Vinicius; Mello, Lucas dos S.; Nagurniak, Glaucio R.; Parreira, Renato L. T.; Alvarenga, Meiry Edivirges; Martins, Felipe Terra; Dockal, Edward Ralph; Souza, Elson Almeida; Maia, Paulo José Sousa; da Cruz, José Wilmo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 17393 - 17405
• a: 10.7112 ± 0.0009 Å
• b: 9.2411 ± 0.0008 Å
• c: 23.046 ± 0.002 Å
• α: 90°
• β: 97.428 ± 0.003°
• γ: 90°
• Cell volume: 2262 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No