Information card for entry 4322236

Structure parameters

• Formula: C12 H24 Cl2 O5 U
• Calculated formula: C12 H24 Cl2 O5 U
• SMILES: [U](=O)(Cl)(Cl)(=O)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Crystal Structure of UO2Cl2(THF)3: A Simple Preparation of an Anhydrous Uranyl Reagent
• Authors of publication: Marianne P. Wilkerson; Carol J. Burns; Robert T. Paine; Brian L. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4156 - 4158
• a: 6.8225 ± 0.0004 Å
• b: 16.7914 ± 0.001 Å
• c: 15.6088 ± 0.0009 Å
• α: 90°
• β: 92.893 ± 0.001°
• γ: 90°
• Cell volume: 1785.85 ± 0.18 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 5
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.107
• Goodness-of-fit parameter for all reflections: 0.799
• Goodness-of-fit parameter for significantly intense reflections: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No