Information card for entry 4320607

Structure parameters

• Common name: [LiONep]8
• Chemical name: Lithium Neo-pentoxide
• Formula: C40 H88 Li8 O8
• Calculated formula: C40 H88 Li8 O8
• SMILES: [Li]12[O]3(CC(C)(C)C)[Li]4[O]5(CC(C)(C)C)[Li]([O]6(CC(C)(C)C)[Li]7[O]1(CC(C)(C)C)[Li]3[O]1(CC(C)(C)C)[Li]5[O]3(CC(C)(C)C)[Li]1[O]7(CC(C)(C)C)[Li]36)[O]24CC(C)(C)C
• Title of publication: Structural Diversity of Lithium Neopentoxide Compounds
• Authors of publication: Timothy J. Boyle; Todd M. Alam; Kelly P. Peters; Mark A. Rodriguez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6281 - 6286
• a: 10.622 ± 0.002 Å
• b: 12.417 ± 0.003 Å
• c: 20.96 ± 0.004 Å
• α: 86.078 ± 0.003°
• β: 87.948 ± 0.003°
• γ: 74.079 ± 0.003°
• Cell volume: 2651.8 ± 1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No