Information card for entry 7120066

Structure parameters

• Formula: C40 H52 N3 O4 U
• Calculated formula: C39 H52 N4 O4 U
• SMILES: [U]1234(Oc5c(C=[N]2Cc2[n]4c(ccc2)C[N]3=Cc2c(O1)c(cc(C(C)(C)C)c2)C(C)(C)C)cc(cc5C(C)(C)C)C(C)(C)C)(=O)=O.N#CC
• Title of publication: An Example of Unusual Pyridine Donor Schiff Base Uranyl (UO22+) Complexes
• Authors of publication: Hardy, Emily Elizabeth; Wyss, Kevin M.; Eddy, Madeleine A.; Gorden, Anne E. V.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 13.9974 ± 0.0003 Å
• b: 23.5111 ± 0.0005 Å
• c: 23.6244 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7774.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No