Information card for entry 4337924

Structure parameters

• Formula: C26 H39 I2 O3 U
• Calculated formula: C26 H39 I2 O3 U
• SMILES: [U]1234(I)(I)([O]5CCCC5)([O]5CCCC5)([O]5CCCC5)[cH]5[c]4([cH]3[cH]2[cH]15)C(C)(C)c1ccccc1
• Title of publication: Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.
• Authors of publication: Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3730
• a: 22.2642 ± 0.0012 Å
• b: 24.4304 ± 0.001 Å
• c: 12.265 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6671.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No