Information card for entry 4504810

Structure parameters

• Common name: Lithium 4-Br,2,6-Dimethylphenoxide Dioxolane
• Formula: C22 H28 Br2 Li2 O6
• Calculated formula: C22 H28 Br2 Li2 O6
• Title of publication: Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units
• Authors of publication: Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1071
• a: 18.492 ± 0.0005 Å
• b: 18.492 ± 0.0005 Å
• c: 28.562 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9766.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No