Information card for entry 1552274

Structure parameters

• Formula: C24 H24 B3 N3
• Calculated formula: C24 H24 B3 N3
• Title of publication: Borazatruxenes
• Authors of publication: Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 20.4365 ± 0.0005 Å
• b: 20.4365 ± 0.0005 Å
• c: 8.654 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3130.12 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No