Information card for entry 4321505

Structure parameters

• Common name: [Li(DIP)(THF)]3
• Formula: C48 H75 Li3 O6
• Calculated formula: C48 H75 Li3 O6
• SMILES: [Li]1([O](c2c(cccc2C(C)C)C(C)C)[Li]([O](c2c(cccc2C(C)C)C(C)C)[Li]([O]1c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Structural Diversity in Solvated Lithium Aryloxides. Syntheses, Characterization, and Structures of [Li(OAr)(THF)x]n and [Li(OAr)(py)x]2 Complexes Where OAr = OC6H5, OC6H4(2-Me), OC6H3(2,6-(Me))2, OC6H4(2-Pri), OC6H3(2,6-(Pri))2, OC6H4(2-But), OC6H3(2,6-(But))2
• Authors of publication: Timothy J. Boyle; Dawn M. Pedrotty; Todd M. Alam; Sara C. Vick; Mark A. Rodriguez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5133 - 5146
• a: 13.316 ± 0.002 Å
• b: 16.148 ± 0.003 Å
• c: 22.427 ± 0.003 Å
• α: 90°
• β: 90 ± 0.004°
• γ: 90°
• Cell volume: 4822.4 ± 1.3 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• 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: 0.262
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No