Information card for entry 4340563

Structure parameters

• Formula: C32 H53 N O Th
• Calculated formula: C32 H53 N O Th
• SMILES: [Th]12345678(ON9C(CCCC9(C)C)(C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)CC=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: 16.8295 ± 0.001 Å
• b: 10.0546 ± 0.0006 Å
• c: 19.3499 ± 0.0011 Å
• α: 90°
• β: 112.432 ± 0.0006°
• γ: 90°
• Cell volume: 3026.5 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0199
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No