Information card for entry 7117183

Structure parameters

• Chemical name: UO2(dbsf)(phen)
• Formula: C26 H16 N2 O8 S U
• Calculated formula: C26 H16 N2 O8 S U
• Title of publication: The first case of actinide triple helices: pH-dependent structural evolution and kinetically-controlled transformation of two supramolecular conformational isomers
• Authors of publication: Shu-wen An; Lei Mei; Cong-zhi Wang; Chuan-qin Xia; Zhi-fang Chai; Wei-qun Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8978
• a: 8.435 ± 0.0017 Å
• b: 12.595 ± 0.003 Å
• c: 22.468 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2387 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No