Information card for entry 4134327

Structure parameters

• Formula: C75 H132 Be2 K2 N6 O6
• Calculated formula: C75 H132 Be2 K2 N6 O6
• 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: 11.8464 ± 0.0006 Å
• b: 15.1384 ± 0.0007 Å
• c: 21.7904 ± 0.001 Å
• α: 90°
• β: 90.911 ± 0.002°
• γ: 90°
• Cell volume: 3907.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No