Information card for entry 4088692

Structure parameters

• Formula: C4 H24 B9 N
• Calculated formula: C4 H24 B9 N
• SMILES: [BH]1234[BH]567[BH]89([BH]%10%116[BH]615[BH]12([BH]2%106[BH]8%11([BH2]12)[H]9)[H]4)[CH2]37.C[NH+](C)C
• Title of publication: Convenient Route to Monocarba-closo-dodecaborate Anions
• Authors of publication: Tanaka, Naoki; Shoji, Yoshiaki; Fukushima, Takanori
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2022
• a: 6.4166 ± 0.0005 Å
• b: 10.3935 ± 0.0008 Å
• c: 9.5956 ± 0.0007 Å
• α: 90°
• β: 100.278 ± 0.001°
• γ: 90°
• Cell volume: 629.67 ± 0.08 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No