Information card for entry 4123067

Structure parameters

• Formula: C61 H85 Cl O Th
• Calculated formula: C61 H85 Cl O Th
• Title of publication: An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.
• Authors of publication: Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141202122629003
• a: 10.6273 ± 0.0008 Å
• b: 12.6345 ± 0.001 Å
• c: 21.4306 ± 0.0016 Å
• α: 92.172 ± 0.001°
• β: 103.965 ± 0.001°
• γ: 104.885 ± 0.001°
• Cell volume: 2683.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No