Information card for entry 7063375

Structure parameters

• Formula: C122 H110 N26 O16 P2 U3
• Calculated formula: C121.996 H109.996 N26 O16 P2 U3
• 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: 13.5096 ± 0.0002 Å
• b: 13.6013 ± 0.0002 Å
• c: 17.1971 ± 0.0002 Å
• α: 99.775 ± 0.001°
• β: 103.033 ± 0.001°
• γ: 106.209 ± 0.001°
• Cell volume: 2863.23 ± 0.07 ų
• Cell temperature: 149.98 ± 0.1 K
• Ambient diffraction temperature: 149.98 ± 0.1 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: 0.0349
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No