Information card for entry 7133030

Structure parameters

• Formula: C48 H59 B F5 N5 Si
• Calculated formula: C47.9865 H59 B F5 N5 Si
• Title of publication: Synthetic, Structural and Reactivity Studies of Boryl-Ethynyl Silylene
• Authors of publication: Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 19.2831 ± 0.0016 Å
• b: 10.4515 ± 0.0008 Å
• c: 24.172 ± 0.002 Å
• α: 90°
• β: 103.424 ± 0.003°
• γ: 90°
• Cell volume: 4738.5 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.1251
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No