Information card for entry 7714592

Structure parameters

• Formula: C42 H26 B2 F20 N2
• Calculated formula: C42 H26 B2 F20 N2
• SMILES: Fc1c(F)c(F)c(F)c(F)c1[B](c1c(F)c(F)c(F)c(F)c1F)(CC(c1ccccc1)[B](C#[N]C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C#[N]C(C)(C)C
• Title of publication: Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.
• Authors of publication: Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1178 - 1189
• a: 13.2715 ± 0.001 Å
• b: 15.8466 ± 0.0012 Å
• c: 19.8998 ± 0.0016 Å
• α: 90°
• β: 90.507 ± 0.004°
• γ: 90°
• Cell volume: 4184.9 ± 0.6 ų
• Cell temperature: 149.99 K
• Ambient diffraction temperature: 149.99 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: 0.0782
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0666
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No