Information card for entry 4345995

Structure parameters

• Formula: C39 H35 N3 S4 U
• Calculated formula: C39 H35 N3 S4 U
• SMILES: [U](Sc1ccccc1)(Sc1ccccc1)(Sc1ccccc1)(Sc1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• 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: 11.6836 ± 0.001 Å
• b: 16.1 ± 0.0014 Å
• c: 19.6157 ± 0.0017 Å
• α: 90°
• β: 93.162 ± 0.002°
• γ: 90°
• Cell volume: 3684.2 ± 0.6 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No