Information card for entry 4512381

Structure parameters

• Formula: C16 H30 Cl4 N4 O2 U
• Calculated formula: C16 H30 Cl4 N4 O2 U
• SMILES: c1n(cc[n+]1C)CCCC.O=[U](Cl)(Cl)(=O)(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: 8.8731 ± 0.0004 Å
• b: 8.9844 ± 0.0004 Å
• c: 9.2813 ± 0.0005 Å
• α: 73.82 ± 0.004°
• β: 66.506 ± 0.005°
• γ: 71.928 ± 0.004°
• Cell volume: 634.81 ± 0.06 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No