Information card for entry 7049502

Structure parameters

• Chemical name: Th(BTBA)2Cl3Li(TMEDA)
• Formula: C39 H70 Cl3 Li N6 Si4 Th
• Calculated formula: C39 H70 Cl3 Li N6 Si4 Th
• Title of publication: Dioxygen reacts with metal-carbon bonds in thorium dialkyls to produce bis(alkoxides).
• Authors of publication: Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5569 - 5573
• a: 18.8563 ± 0.001 Å
• b: 12.1439 ± 0.0006 Å
• c: 23.6059 ± 0.0013 Å
• α: 90°
• β: 108.474 ± 0.002°
• γ: 90°
• Cell volume: 5126.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0208
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No