Information card for entry 7709638

Structure parameters

• Formula: C17 H48 B12 N4 O4
• Calculated formula: C17 H48 B12 N4 O4
• 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: 8.5596 ± 0.0002 Å
• b: 21.4218 ± 0.0004 Å
• c: 15.3224 ± 0.0003 Å
• α: 90°
• β: 93.2185 ± 0.0008°
• γ: 90°
• Cell volume: 2805.11 ± 0.1 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: 0.0974
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No