Information card for entry 1518170

Structure parameters

• Formula: C30 H50 Si4 Th
• Calculated formula: C30 H50 Si4 Th
• SMILES: [Th]123456789%10%11%12%13%14%15([CH]%16=[CH]6[CH]2=[CH]4[CH]1=[CH]7[CH]3=[CH]5%16)([c]1([Si](C)(C)C)[cH]8[c]9([Si](C)(C)C)[cH]%10[cH]1%11)[c]1([Si](C)(C)C)[cH]%12[c]%13([Si](C)(C)C)[cH]%14[cH]1%15
• Title of publication: Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state
• Authors of publication: Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 517
• a: 20.2007 ± 0.0016 Å
• b: 8.1694 ± 0.0006 Å
• c: 19.9544 ± 0.0015 Å
• α: 90°
• β: 91.3531 ± 0.0009°
• γ: 90°
• Cell volume: 3292.1 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No