Information card for entry 7003784

Structure parameters

• Common name: Lithium 2,4,6-trimethylphenoxide dimethylaminoethoxide dioxane
• Formula: C94 H162 Li12 N6 O14
• Calculated formula: C94 H162 Li12 N6 O14
• Title of publication: Manipulation of molecular aggregation and supramolecular structure using self-assembled lithium mixed-anion complexes
• Authors of publication: Morris, J. Jacob; MacDougall, Dugald J.; Noll, Bruce C.; Henderson, Kenneth W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3429 - 3437
• a: 11.0932 ± 0.0003 Å
• b: 13.5887 ± 0.0004 Å
• c: 18.7141 ± 0.0005 Å
• α: 98.329 ± 0.001°
• β: 97.972 ± 0.002°
• γ: 109.91 ± 0.001°
• Cell volume: 2570.26 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No