Information card for entry 7063445

Structure parameters

• Formula: C38 H31 F3 N2 O7 P V
• Calculated formula: C38 H31 F3 N2 O7 P V
• Title of publication: Zwitterionic dioxidovanadium(v) complexes containing fluorinated triphenylphosphonium ligands: Structure and biomacromolecules studies
• Authors of publication: Martins, Francisco Mainardi; Durigon, Daniele C.; Chaves, Otávio Augusto Augusto; Peralta, Rosely; Back, Davi; Terenzi, Hernan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 11.288 ± 0.004 Å
• b: 20.111 ± 0.007 Å
• c: 15.857 ± 0.005 Å
• α: 90°
• β: 105.698 ± 0.01°
• γ: 90°
• Cell volume: 3465 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No