Information card for entry 4334246

Structure parameters

• Formula: C41 H87 Li O4 Th
• Calculated formula: C41 H87 Li O4 Th
• SMILES: [Th](CC(C)(C)C)(CC(C)(C)C)(CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: In Pursuit of Homoleptic Actinide Alkyl Complexes
• Authors of publication: Lani A. Seaman; Justin R. Walensky; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3556 - 3564
• a: 10.396 ± 0.0004 Å
• b: 16.7648 ± 0.0007 Å
• c: 54.2778 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9459.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2306
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No