Information card for entry 1556507

Structure parameters

• Chemical name: tetrakis lithio 2-(2,6-diisopropylphenylamino)-3-methylpent -2-en-4-one
• Formula: C72 H104 Li4 N4 O4
• Calculated formula: C72 H104 Li4 N4 O4
• SMILES: [O]123C(=C(C)C(=[N](c4c(cccc4C(C)C)C(C)C)[Li]41[O]15C(=C(C)C(=[N](c6c(cccc6C(C)C)C(C)C)[Li]21[O]12C(=C(C)C(=[N](c6c(cccc6C(C)C)C(C)C)[Li]51[O]14C(=C(C)C(=[N](c4c(cccc4C(C)C)C(C)C)[Li]321)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: 14.3398 ± 0.0014 Å
• b: 27.504 ± 0.003 Å
• c: 19.8735 ± 0.0019 Å
• α: 90°
• β: 107.487 ± 0.001°
• γ: 90°
• Cell volume: 7475.9 ± 1.3 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: 0.1168
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No