Information card for entry 4080261

Structure parameters

• Formula: C62 H88 Li4 N4 O4
• Calculated formula: C62 H88 Li4 N4 O4
• SMILES: [Li]123[O]45c6c([N]71[Li]1([O]8(CCCC8)[Li]84[O]21c1c([N]28[Li]5([O]43CCCC4)[N](=C(C=C2C)C)c2c(cccc2C(C)C)C(C)C)cc(cc1)C(C)(C)C)[N](=C(C=C7C)C)c1c(cccc1C(C)C)C(C)C)cc(cc6)C(C)(C)C
• 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: 9.5402 ± 0.0014 Å
• b: 10.9327 ± 0.0011 Å
• c: 14.383 ± 0.002 Å
• α: 73.96 ± 0.008°
• β: 87.426 ± 0.007°
• γ: 86.955 ± 0.009°
• Cell volume: 1439 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No