Information card for entry 4111409

Structure parameters

• Formula: C32 H41 N O Th
• Calculated formula: C32 H41 N O Th
• SMILES: [Th]123456789([O]=n%10c8cccc%10)([c]8([c]3([c]2([c]9([c]18C)C)C)C)C)([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)Cc1ccccc1
• 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: 10.4583 ± 0.0004 Å
• b: 23.2441 ± 0.0008 Å
• c: 11.4942 ± 0.0004 Å
• α: 90°
• β: 93.672 ± 0.001°
• γ: 90°
• Cell volume: 2788.43 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No