Information card for entry 1549786

Structure parameters

• Formula: C32 H33 N5 O5 U
• Calculated formula: C32 H33 N5 O5 U
• SMILES: [U]1234(Oc5ccccc5C=[N]2CC[N]3(CC[N]4=Cc2ccccc2O1)CC/N=C/c1ccccc1O)(=O)=O.n1ccccc1
• Title of publication: The effect of iron binding on uranyl(v) stability.
• Authors of publication: Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 38
• Pages of publication: 7520 - 7527
• a: 10.3182 ± 0.0003 Å
• b: 12.47104 ± 0.00019 Å
• c: 12.8143 ± 0.0003 Å
• α: 82.2874 ± 0.0017°
• β: 68.197 ± 0.003°
• γ: 79.3609 ± 0.0017°
• Cell volume: 1500.76 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No