Information card for entry 7714588

Structure parameters

• Formula: C42 H30 B2 Cl3 F20 N
• Calculated formula: C42 H30 B2 Cl3 F20 N
• SMILES: ClC(Cl)Cl.Fc1c(c(F)c(F)c(F)c1F)[B]12(c3c(F)c(F)c(F)c(F)c3F)C([B]1(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)[H]2)Cc1ccccc1.[NH2+]1C(CCCC1(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: 12.5809 ± 0.001 Å
• b: 13.2745 ± 0.001 Å
• c: 14.482 ± 0.001 Å
• α: 79.082 ± 0.004°
• β: 79.285 ± 0.004°
• γ: 65.673 ± 0.004°
• Cell volume: 2148.1 ± 0.3 ų
• Cell temperature: 149.99 K
• Ambient diffraction temperature: 149.99 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No