Information card for entry 7114939

Structure parameters

• Common name: Li-alkoxid
• Formula: C36 H84 Li6 O2 P6
• Calculated formula: C36 H84 Li6 O2 P6
• SMILES: [Li]123[O]45C(C[P]1(C)C)(C[P](C)(C)[Li]14[CH2]24CCC)C[P](C)(C)[Li]25[CH2]1(CCC)[Li]15[O]67C(C[P]1(C)C)(C[P](C)(C)[Li]16[CH2]25CCC)C[P](C)(C)[Li]47[CH2]13CCC
• 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: 21.44 ± 0.002 Å
• b: 17.254 ± 0.0013 Å
• c: 14.121 ± 0.0013 Å
• α: 90°
• β: 103 ± 0.009°
• γ: 90°
• Cell volume: 5089.8 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No