Information card for entry 7701431

Structure parameters

• Formula: C22 H24 Br2 N4 O5 S2 V
• Calculated formula: C22 H24 Br2 N4 O5 S2 V
• Title of publication: New V(IV)O-complexes for oxidative desulfurization of refractory sulfur compounds in fuel: synthesis, structure, reactivity trend and mechanistic studies
• Authors of publication: Tshentu, Zenixole; Dembaremba, Tendai; Correia, Isabel; Pessoa, João Costa; Gerber, Wilhelmus Jacobus; Kuznetsov, Maxim L.; Hosten, Eric Cyriel; Ogunlaja, Adeniyi
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 15.3157 ± 0.0007 Å
• b: 15.8806 ± 0.0008 Å
• c: 22.1939 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5398.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No