Information card for entry 1556508

Structure parameters

• Chemical name: tetrakis lithio 2-(2,4,6-trimethylphenylamino)-3-methylpent -2-en-4-one
• Formula: C60 H80 Li4 N4 O4
• Calculated formula: C60 H80 Li4 N4 O4
• SMILES: [O]123C(=C(C)C(=[N](c4c(cc(C)cc4C)C)[Li]41[O]15C(=C(C(=[N](c6c(cc(cc6C)C)C)[Li]21[O]12C(=C(C)C(=[N](c6c(cc(cc6C)C)C)[Li]52[O]24C(=C(C)C(=[N](c4c(cc(cc4C)C)C)[Li]312)C)C)C)C)C)C)C)C)C
• Title of publication: Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations
• Authors of publication: Gietz, T.; Boere, R.T.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 30
• a: 13.0543 ± 0.0011 Å
• b: 26.647 ± 0.002 Å
• c: 16.4965 ± 0.0014 Å
• α: 90°
• β: 91.218 ± 0.001°
• γ: 90°
• Cell volume: 5737.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No