Information card for entry 4321503

Structure parameters

• Common name: [Li(DMP)(THF)]4
• Formula: C48 H68 Li4 O8
• Calculated formula: C48 H68 Li4 O8
• SMILES: [Li]12([O]3(c4c(cccc4C)C)[Li]4([O]5(c6c(cccc6C)C)[Li]([O]1(c1c(cccc1C)C)[Li]35[O]1CCCC1)([O]24c1c(cccc1C)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: 12.5624 ± 0.0014 Å
• b: 20.819 ± 0.003 Å
• c: 17.135 ± 0.002 Å
• α: 90°
• β: 91.769 ± 0.002°
• γ: 90°
• Cell volume: 4479.3 ± 1 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: 0.1112
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.248
• Weighted residual factors for all reflections included in the refinement: 0.2768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No