Information card for entry 4345999

Structure parameters

• Formula: C108 H100 N12 Se12 U4
• Calculated formula: C108 H100 N12 Se12 U4
• SMILES: c1(ccccc1)[Se]1[U]234([n]5ccccc5)([Se]5[U]671([n]1ccccc1)([n]1ccccc1)([Se]2[U]12([Se]6[U]5([Se]3c3ccccc3)([n]3ccccc3)([Se]41)([Se]2c1ccccc1)[Se]c1ccccc1)([Se]7c1ccccc1)[Se]c1ccccc1)[Se]c1ccccc1)[Se]c1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• 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: 29.362 ± 0.002 Å
• b: 12.53 ± 0.0009 Å
• c: 31.388 ± 0.002 Å
• α: 90°
• β: 111.55 ± 0.001°
• γ: 90°
• Cell volume: 10740.6 ± 1.3 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No