Information card for entry 4345525

Structure parameters

• Formula: C28 H28 N14 O17 U
• Calculated formula: C28 H28 N14 O17 U
• Title of publication: Mixed-Ligand Uranyl Polyrotaxanes Incorporating a Sulfate/Oxalate Coligand: Achieving Structural Diversity via pH-Dependent Competitive Effect
• Authors of publication: Xie, Zhen-ni; Mei, Lei; Hu, Kong-qiu; Xia, Liang-shu; Chai, Zhi-fang; Shi, Wei-qun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 12.3767 ± 0.0006 Å
• b: 12.4099 ± 0.0006 Å
• c: 12.8991 ± 0.0005 Å
• α: 64.776 ± 0.002°
• β: 82.741 ± 0.002°
• γ: 79.506 ± 0.002°
• Cell volume: 1759.68 ± 0.14 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 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: 0.0229
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No