Information card for entry 4112917

Structure parameters

• Common name: 03277
• Formula: C24 H52 Si4 Th
• Calculated formula: C24 H52 Si4 Th
• SMILES: [Th]12345678(C[CH]1=[CH]2[Si](C)(C)C)(C[CH]3=[CH]4[Si](C)(C)C)(C[CH]5=[CH]6[Si](C)(C)C)C[CH]7=[CH]8[Si](C)(C)C
• Title of publication: Metal Allyl Complexes with Bulky Ligands: Stabilization of Homoleptic Thorium Compounds, [(SiMe3)nC3H5-n]4Th (n= 1, 2)
• Authors of publication: Christin N. Carlson; Timothy P. Hanusa; William W. Brennessel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 10550 - 10551
• a: 11.0558 ± 0.0015 Å
• b: 28.104 ± 0.004 Å
• c: 11.1187 ± 0.0015 Å
• α: 90°
• β: 106.96 ± 0.002°
• γ: 90°
• Cell volume: 3304.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No