Information card for entry 4080268

Structure parameters

• Formula: C70 H108 Li N4 O4 Yb
• Calculated formula: C70 H108 Li N4 O4 Yb
• SMILES: [Yb]12345[O](c6c(N1C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)cc(cc6C(C)(C)C)C(C)(C)C)[Li]([O]5c1c(N3C(=CC(=[N]4c3c(cccc3C(C)C)C(C)C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)[O](CC)CC.O(CC)CC
• 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: 16.0461 ± 0.0002 Å
• b: 21.2603 ± 0.0005 Å
• c: 20.518 ± 0.0005 Å
• α: 90°
• β: 107.973 ± 0.0013°
• γ: 90°
• Cell volume: 6658.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No