Information card for entry 4345997

Structure parameters

• Formula: C56 H52 N4 Se8 U2
• Calculated formula: C56 H52 N4 Se8 U2
• SMILES: [N]([U]123([N]#CC)([Se](c4ccccc4)[U]([N]#CC)([N]#CC)([Se]1c1ccccc1)([Se]2c1ccccc1)([Se]3c1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1)#CC
• Title of publication: U(IV) Chalcogenolates Synthesized via Oxidation of Uranium Metal by Dichalcogenides
• Authors of publication: Andrew J. Gaunt; Brian L. Scott; Mary P. Neu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 7401 - 7407
• a: 20.203 ± 0.003 Å
• b: 20.203 ± 0.003 Å
• c: 13.99 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5710 ± 2 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No