Information card for entry 4134325

Structure parameters

• Common name: Be(I)BARF
• Formula: C76 H82 B Be F24.04 N2
• Calculated formula: C76 H82 B Be F24.03 N2
• Title of publication: A Stable, Crystalline Beryllium Radical Cation.
• Authors of publication: Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 20.6387 ± 0.0007 Å
• b: 15.7843 ± 0.0005 Å
• c: 22.7926 ± 0.0008 Å
• α: 90°
• β: 99.54 ± 0.001°
• γ: 90°
• Cell volume: 7322.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No