Information card for entry 2214015

Structure parameters

• Chemical name: bromido(1,4,7,10-tetraoxacyclododecane-κ^4^<i>O</i>)lithium(I)
• Formula: C8 H16 Br Li O4
• Calculated formula: C8 H16 Br Li O4
• Title of publication: Bromido(12-crown-4)lithium
• Authors of publication: Morawitz, Thorsten; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1923 - m1923
• a: 8.4895 ± 0.001 Å
• b: 8.4895 ± 0.001 Å
• c: 7.7355 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 557.51 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes