Information card for entry 2103124

Structure parameters

• Formula: C50 H121 Al3 F10 Li4 O5 Si9
• Calculated formula: C50.91 H122.82 Al3 F10 Li4 O4 Si9
• Title of publication: Refinement of obverse/reverse twins
• Authors of publication: Herbst-Irmer, Regine; Sheldrick, George M.
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 477 - 481
• a: 14.899 ± 0.002 Å
• b: 14.899 ± 0.002 Å
• c: 30.472 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5857.9 ± 1.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No