Information card for entry 4064422

Structure parameters

• Formula: C8 H16 I4 O4 U
• Calculated formula: C8 H16 I4 O4 U
• SMILES: C1COCC[O]1[U](I)(I)(I)(I)[O]1CCOCC1
• Title of publication: UI4(1,4-dioxane)2, [UCl4(1,4-dioxane)]2, and UI3(1,4-dioxane)1.5: Stable and Versatile Starting Materials for Low- and High-Valent Uranium Chemistry
• Authors of publication: Monreal, Marisa J.; Thomson, Robert K.; Cantat, Thibault; Travia, Nicholas E.; Scott, Brian L.; Kiplinger, Jaqueline L.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 2031
• a: 8.358 ± 0.004 Å
• b: 8.738 ± 0.004 Å
• c: 12.857 ± 0.006 Å
• α: 90°
• β: 90.518 ± 0.004°
• γ: 90°
• Cell volume: 938.9 ± 0.8 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No