Information card for entry 4321504

Structure parameters

• Common name: [Li(OIP)(THF)]4
• Formula: C52 H76 Li4 O8
• Calculated formula: C52 H76 Li4 O8
• SMILES: [Li]12([O]3(c4ccccc4C(C)C)[Li]4([O]5(c6ccccc6C(C)C)[Li]([O]2(c2ccccc2C(C)C)[Li]35[O]2CCCC2)([O]14c1ccccc1C(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: 12.9466 ± 0.0018 Å
• b: 15.119 ± 0.002 Å
• c: 27.015 ± 0.004 Å
• α: 90°
• β: 101.012 ± 0.003°
• γ: 90°
• Cell volume: 5190.5 ± 1.3 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2337
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No