Information card for entry 4080257

Structure parameters

• Formula: C19 H30 B F4 N O
• Calculated formula: C19 H30 B F4 N O
• SMILES: O(C(=C\C(=[NH+]/c1c(cccc1C(C)C)C(C)C)C)/C)CC.[B](F)(F)(F)[F-]
• Title of publication: Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium
• Authors of publication: Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1328
• a: 10.5912 ± 0.0005 Å
• b: 14.0519 ± 0.0007 Å
• c: 14.0695 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2093.91 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No