Information card for entry 4134326

Structure parameters

• Formula: C67 H86 B Be F24.01 N3 Na2 O5
• Calculated formula: C67 H86 B Be F24.015 N3 Na2 O5
• 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: 17.902 ± 0.002 Å
• b: 21.874 ± 0.003 Å
• c: 20.278 ± 0.003 Å
• α: 90°
• β: 111.118 ± 0.004°
• γ: 90°
• Cell volume: 7407.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No