Information card for entry 7709314

Structure parameters

• Formula: C22 H21 B3 F6 N8
• Calculated formula: C22 H21 B3 F6 N8
• Title of publication: Nucleophilic addition reactions to nitrilium derivatives [B₁₂H₁₁NCCH₃]^- and [B₁₂H₁₁NCCH₂CH₃]^-. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.
• Authors of publication: Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 3051 - 3059
• a: 21.593 ± 0.013 Å
• b: 17.946 ± 0.012 Å
• c: 15.446 ± 0.01 Å
• α: 90°
• β: 112.98 ± 0.03°
• γ: 90°
• Cell volume: 5510 ± 6 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No