Information card for entry 4111406

Structure parameters

• Formula: C28 H41 N O Th
• Calculated formula: C28 H41 N O Th
• SMILES: [Th]123456789([O]=n%12c(cccc%12C9)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)C
• Title of publication: A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes
• Authors of publication: Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1338 - 1339
• a: 12.379 ± 0.003 Å
• b: 15.315 ± 0.003 Å
• c: 13.674 ± 0.003 Å
• α: 90°
• β: 91.05 ± 0.004°
• γ: 90°
• Cell volume: 2591.9 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.462
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No