Information card for entry 1558284

Structure parameters

• Formula: C99 H144 K4 Si8 Th2
• Calculated formula: C99 H144 K4 Si8 Th2
• Title of publication: Heteroleptic Actinocenes: A Thorium(IV)-Cyclobutadienyl-Cyclooctatetraenyl-Di-Potassium-Cyclooctatetraenyl Complex
• Authors of publication: Boronski, Josef; Wooles, Ashley; Liddle, Stephen
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 24.4252 ± 0.0001 Å
• b: 10.9277 ± 0.0001 Å
• c: 40.2845 ± 0.0002 Å
• α: 90°
• β: 107.399 ± 0.001°
• γ: 90°
• Cell volume: 10260.4 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No