Information card for entry 4101340

Structure parameters

• Formula: C40 H66 I2 N2 O4 U
• Calculated formula: C40 H66 I2 N2 O4 U
• 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: 16.6844 ± 0.0006 Å
• b: 13.7864 ± 0.0005 Å
• c: 18.5403 ± 0.0007 Å
• α: 90°
• β: 90.311 ± 0.001°
• γ: 90°
• Cell volume: 4264.5 ± 0.3 ų
• Cell temperature: 141 ± 1 K
• Ambient diffraction temperature: 141 ± 1 K
• Number of distinct elements: 6
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No