Information card for entry 1569573

Structure parameters

• Formula: C85 H110 B F20 N6 O Si2 Y
• Calculated formula: C73 H82 B F20 N6 O Si2 Y
• 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: 9.9761 ± 0.0018 Å
• b: 20.274 ± 0.004 Å
• c: 21.922 ± 0.004 Å
• α: 89.741 ± 0.003°
• β: 88.847 ± 0.003°
• γ: 83.127 ± 0.003°
• Cell volume: 4401.1 ± 1.4 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: 0.1826
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No