Information card for entry 7117184

Structure parameters

• Chemical name: UO2(dbsf)(phen)(H2O)
• Formula: C26 H18 N2 O9 S U
• Calculated formula: C26 H18 N2 O9 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: 14.395 ± 0.003 Å
• b: 8.675 ± 0.0017 Å
• c: 20.368 ± 0.004 Å
• α: 90°
• β: 95.16 ± 0.03°
• γ: 90°
• Cell volume: 2533.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No