Information card for entry 7062614

Structure parameters

• Formula: C26 H26 Mo2 N4 O7
• Calculated formula: C26 H26 Mo2 N4 O7
• SMILES: [Mo]12(O[Mo]34([NH](Cc5c(O4)cccc5)Cc4[n]3cccc4)(=O)=O)([NH](Cc3c(cccc3)O1)Cc1[n]2cccc1)(=O)=O
• Title of publication: Catalytic activity of a new dioxidomolybdenum(vi) complex with a bipodal N2O-donor ligand in sulfur compound oxidation
• Authors of publication: Machado, Paula M. A.; Barreto, Juliana M.; Motta, Ramon da S.; Rodrigues, José Guilherme A.; de Souza, Wladmir F.; Maldonado, Igor A. V.; Allão Cassaro, Rafael A.; dos Santos, Gustavo R. C.; Carneiro, Gabriel R. A.; Pereira, Henrique M. G.; D’Elia, Eliane; Horn, Adolfo; Lachter, Elizabeth Roditi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 14123 - 14133
• a: 11.7299 ± 0.0004 Å
• b: 15.2544 ± 0.0005 Å
• c: 14.7882 ± 0.0005 Å
• α: 90°
• β: 90.931 ± 0.001°
• γ: 90°
• Cell volume: 2645.74 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No