Information card for entry 4118629

Structure parameters

• Formula: C37 H72 N3 P S Si6 U
• Calculated formula: C37 H72 N3 P S Si6 U
• SMILES: [U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=S.[P+](c1ccccc1)(c1ccccc1)(C)c1ccccc1
• Title of publication: A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)
• Authors of publication: Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15468 - 15475
• a: 16.9301 ± 0.0004 Å
• b: 12.074 ± 0.0004 Å
• c: 24.2248 ± 0.0007 Å
• α: 90°
• β: 99.155 ± 0.002°
• γ: 90°
• Cell volume: 4888.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No