Information card for entry 7063374

Structure parameters

• Formula: C17 H20 N6 Na O7 V
• Calculated formula: C17 H20 N6 Na O7 V
• Title of publication: Spectroscopically labelled hydroxylamino-triazine (BHT) siderophores toward the quantification of iron(iii), vanadium(v) and uranium(vi) hard metal ions
• Authors of publication: Amoiridis, Angelos; Papanikolaou, Michael; Drouza, Chryssoula; Kabanos, Themistoklis A.; Keramidas, Anastasios D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 14884 - 14895
• a: 7.03 ± 0.0001 Å
• b: 10.5222 ± 0.0001 Å
• c: 14.6881 ± 0.0001 Å
• α: 79.552 ± 0.001°
• β: 81.212 ± 0.001°
• γ: 71.45 ± 0.001°
• Cell volume: 1007.69 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0288
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No