Information card for entry 4127769

Structure parameters

• Formula: C78.5 H128.5 Li O8.5 Th
• Calculated formula: C78.5 H128.75 Li O8.5 Th
• Title of publication: Isolation of a Square-Planar Th(III) Complex: Synthesis and Structure of [Th(OC₆H₂^tBu₂-2,6-Me-4)₄]¹.
• Authors of publication: Huh, Daniel N.; Roy, Saswata; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12458 - 12463
• a: 20.987 ± 0.003 Å
• b: 19.879 ± 0.003 Å
• c: 39.091 ± 0.006 Å
• α: 90°
• β: 95.3671 ± 0.0019°
• γ: 90°
• Cell volume: 16237 ± 4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No