Information card for entry 4512379

Structure parameters

• Formula: C16 H30 Cl4 N4 O2 U
• Calculated formula: C16 H30 Cl4 N4 O2 U
• SMILES: c1n(cc[n+]1C)CCCC.[U](=O)(=O)(Cl)(Cl)(Cl)Cl.c1n(cc[n+]1C)CCCC
• Title of publication: Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts
• Authors of publication: Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6421
• a: 8.5341 ± 0.0005 Å
• b: 17.5319 ± 0.001 Å
• c: 8.8715 ± 0.0006 Å
• α: 90°
• β: 106.449 ± 0.007°
• γ: 90°
• Cell volume: 1273.02 ± 0.14 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No