Information card for entry 7121825

Structure parameters

• Formula: C34 H56 B N5 Si
• Calculated formula: C34 H56 B N5 Si
• Title of publication: Cleavage of BN triple bonds by main group reagents.
• Authors of publication: Winner, Lena; Hermann, Alexander; Bélanger-Chabot, Guillaume; González-Belman, Oscar F; Jiménez-Halla, J Oscar C; Kelch, Hauke; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 59
• Pages of publication: 8210 - 8213
• a: 19.1168 ± 0.0009 Å
• b: 17.0388 ± 0.0008 Å
• c: 21.9556 ± 0.0008 Å
• α: 90°
• β: 105.534 ± 0.002°
• γ: 90°
• Cell volume: 6890.3 ± 0.5 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: 0.0572
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No