Information card for entry 1569574

Structure parameters

• Formula: C85 H92 B F22 N6 O Sc Si2
• Calculated formula: C73 H82 B F20 N6 O Sc Si2
• Title of publication: Rare earth dialkyl cations and monoalkyl dications supported by a rigid neutral pincer ligand: synthesis and ethylene polymerization.
• Authors of publication: Vasanthakumar, Aathith; Price, Jeffrey S.; Emslie, David J. H.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 32
• Pages of publication: 8514 - 8523
• a: 9.8595 ± 0.0012 Å
• b: 20.303 ± 0.003 Å
• c: 21.959 ± 0.003 Å
• α: 89.917 ± 0.002°
• β: 89.202 ± 0.002°
• γ: 83.113 ± 0.002°
• Cell volume: 4363.6 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No