Information card for entry 4340565

Structure parameters

• Formula: C36 H72 N4 O4 Th
• Calculated formula: C36 H72 N4 O4 Th
• SMILES: [Th](ON1C(CCCC1(C)C)(C)C)(ON1C(CCCC1(C)C)(C)C)(ON1C(CCCC1(C)C)(C)C)ON1C(CCCC1(C)C)(C)C
• Title of publication: Reactivity of Organothorium Complexes with TEMPO.
• Authors of publication: Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8455 - 8463
• a: 11.7106 ± 0.0006 Å
• b: 16.4966 ± 0.0009 Å
• c: 19.9885 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3861.5 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0208
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No