Information card for entry 4301732

Structure parameters

• Formula: C32 H40 N4 Se2 U
• Calculated formula: C32 H40 N4 Se2 U
• SMILES: [U]1([Se]c2ccccc2)([Se]c2ccccc2)(=NC(C)(C)C)(=NC(C)(C)C)[n]2ccc(C)cc2c2[n]1ccc(c2)C
• Title of publication: Uranium(VI) Bis(imido) Chalcogenate Complexes: Synthesis and Density Functional Theory Analysis
• Authors of publication: Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2693 - 2700
• a: 9.4174 ± 0.0008 Å
• b: 17.439 ± 0.0015 Å
• c: 20.306 ± 0.0018 Å
• α: 90°
• β: 96.276 ± 0.001°
• γ: 90°
• Cell volume: 3314.9 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No