Information card for entry 7063373

Structure parameters

• Formula: C58 H66 Fe N12 O13 P
• Calculated formula: C58 H66 Fe N12 O13 P
• 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: 14.2496 ± 0.0007 Å
• b: 15.347 ± 0.0007 Å
• c: 16.5555 ± 0.0005 Å
• α: 101.555 ± 0.003°
• β: 108.396 ± 0.004°
• γ: 113.274 ± 0.004°
• Cell volume: 2928.4 ± 0.3 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 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: 0.1172
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No