Information card for entry 4101339

Structure parameters

• Formula: C28 H30 F12 I2 N2 O3 U
• Calculated formula: C28 H30 F12 I2 N2 O3 U
• SMILES: [U](I)(I)(=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)([O]1CCCC1)([O]1CCCC1)[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: 9.1025 ± 0.0006 Å
• b: 17.4883 ± 0.0011 Å
• c: 43.339 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6899 ± 0.8 ų
• Cell temperature: 141 ± 1 K
• Ambient diffraction temperature: 141 ± 1 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No