Information card for entry 7114940

Structure parameters

• Common name: Alkoxid-Li3-Dianion
• Formula: C20 H45 Li3 O P6
• Calculated formula: C20 H45 Li3 O P6
• SMILES: [P]1([Li]23[P](C4[Li]56[P](CC7([O]26[Li]2([P](C7)(C)C)[P](C3C4=[CH]2[P]5(C)C)(C)C)C1)(C)C)(C)C)(C)C
• Title of publication: A multidentate phosphinoalkoxide ligand as a building block in mixed polylithium aggregates
• Authors of publication: Feustel, Alexander; Müller, Gerhard
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1024
• a: 9.0869 ± 0.0019 Å
• b: 11.851 ± 0.002 Å
• c: 15.175 ± 0.003 Å
• α: 81.323 ± 0.007°
• β: 89.812 ± 0.007°
• γ: 73.27 ± 0.02°
• Cell volume: 1545.7 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No