Information card for entry 7057759

Structure parameters

• Formula: C7 H22 B9 N S
• Calculated formula: C7 H22 B9 N S
• Title of publication: Nucleophilic addition reactions to the ethylnitrilium derivative of nido-carborane 10-EtCN-7,8-C2B9H11
• Authors of publication: Stogniy, Marina Yu.; Erokhina, Svetlana A.; Suponitsky, Kyrill Yu.; Anisimov, Aleksei A.; Sivaev, Igor B.; Bregadze, Vladimir I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 17958
• a: 13.8859 ± 0.0008 Å
• b: 7.9068 ± 0.0005 Å
• c: 14.3032 ± 0.0008 Å
• α: 90°
• β: 114.974 ± 0.003°
• γ: 90°
• Cell volume: 1423.56 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No