Information card for entry 7116407

Structure parameters

• Formula: C52 H72 B2 Be N4
• Calculated formula: C52 H72 B2 Be N4
• Title of publication: Beryllium bis(diazaborolyl): old neighbors finally shake hands
• Authors of publication: T. Arnold; H. Braunschweig; W. C. Ewing; T. Kramer; J. Mies; J. K. Schuster
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 737
• a: 12.855 ± 0.0009 Å
• b: 27.0697 ± 0.0019 Å
• c: 14.2004 ± 0.001 Å
• α: 90°
• β: 92.555 ± 0.002°
• γ: 90°
• Cell volume: 4936.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1177
• 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