Information card for entry 4101338

Structure parameters

• Formula: C22 H42 I2 N2 O3 U
• Calculated formula: C20 H42 I2 N2 O3 U
• SMILES: C1CCC[O]1[U](I)(=NC(C)(C)C)([O]1CCCC1)(I)(=NC(C)(C)C)[O]1CCCC1
• Title of publication: Synthesis and reactivity of the imido analogues of the uranyl ion.
• Authors of publication: Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 32
• Pages of publication: 10549 - 10559
• a: 11.7556 ± 0.0005 Å
• b: 13.8565 ± 0.0006 Å
• c: 17.1139 ± 0.0009 Å
• α: 90°
• β: 106.66 ± 0.001°
• γ: 90°
• Cell volume: 2670.7 ± 0.2 ų
• Cell temperature: 141 ± 1 K
• Ambient diffraction temperature: 141 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No