Information card for entry 4512385

Structure parameters

• Formula: C18 H34 Cl4 N4 O2 U
• Calculated formula: C18 H34 Cl4 N4 O2 U
• SMILES: c1(n(cc[n+]1CCCC)C)C.[U](Cl)(=O)(=O)(Cl)(Cl)Cl.c1(C)n(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: 10.4266 ± 0.001 Å
• b: 13.6211 ± 0.0007 Å
• c: 10.4331 ± 0.0009 Å
• α: 90°
• β: 116.508 ± 0.011°
• γ: 90°
• Cell volume: 1326 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No