Information card for entry 7006879

Structure parameters

• Common name: Lithium 4-cyanophenoxide THF solvate
• Formula: C60 H80 Li4 N4 O12
• Calculated formula: C60 H80 Li4 N4 O12
• Title of publication: 4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.
• Authors of publication: MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 15
• Pages of publication: 1875 - 1884
• a: 19.08 ± 0.0009 Å
• b: 19.454 ± 0.0009 Å
• c: 16.0843 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5970.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No