Information card for entry 4345998

Structure parameters

• Formula: C24 H24 N4 O S4 U
• Calculated formula: C24 H24 N4 O S4 U
• SMILES: [U]1234(Sc5[n]1cccc5)(Sc1[n]2cccc1)(Sc1[n]3cccc1)(Sc1[n]4cccc1)[O]1CCCC1
• 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: 9.4765 ± 0.0007 Å
• b: 15.3112 ± 0.0012 Å
• c: 18.378 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2666.6 ± 0.4 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0141
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No