Information card for entry 4512383

Structure parameters

• Formula: C12 H22 Cl4 N4 O2 U
• Calculated formula: C12 H22 Cl4 N4 O2 U
• SMILES: c1n(cc[n+]1C)CC.[U](Cl)(=O)(=O)(Cl)(Cl)Cl.c1n(cc[n+]1C)CC
• 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: 10.058 ± 0.0004 Å
• b: 9.7278 ± 0.0004 Å
• c: 10.4943 ± 0.0004 Å
• α: 90°
• β: 94.009 ± 0.004°
• γ: 90°
• Cell volume: 1024.27 ± 0.07 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0429
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No