Information card for entry 7123741

Structure parameters

• Common name: [(CpAr*)(Cp*)Th(PhCH-CH=CH-CHPh)]
• Formula: C101 H134 Th
• Calculated formula: C101 H134 Th
• Title of publication: Monomeric Thorium Dihydrido Complex: A Versatile Precursor to Actinide Metallacycles
• Authors of publication: Qin, Guorui; Wang, Yang; Shi, Xianghui; del Rosal, Iker; Laurent, Maron; Cheng, Jianhua
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.7332 ± 0.001 Å
• b: 39.615 ± 0.003 Å
• c: 16.3475 ± 0.001 Å
• α: 90°
• β: 98.604 ± 0.001°
• γ: 90°
• Cell volume: 10074.3 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No