Information card for entry 7123737

Structure parameters

• Common name: [(CpAr)Th(CH2-C6H4-CH3)3]
• Formula: C99 H132 Th
• Calculated formula: C99 H132 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: 25.902 ± 0.0005 Å
• b: 16.9604 ± 0.0003 Å
• c: 47.2064 ± 0.0009 Å
• α: 90°
• β: 104.116 ± 0.001°
• γ: 90°
• Cell volume: 20112 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No