Information card for entry 2238790

Structure parameters

• Common name: Tetra-n-butylammonium cyanotrihydroborate
• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>-Tributylbutan-1-aminium (<i>T</i>-4)-(cyano-κ<i>C</i>)trihydroborate
• Formula: C17 H39 B N2
• Calculated formula: C17 H39 B N2
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.N#C[BH3]
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>-Tributylbutan-1-aminium (<i>T</i>-4)-(cyano-κ<i>C</i>)trihydroborate
• Authors of publication: Maris, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1713
• a: 7.8312 ± 0.0005 Å
• b: 13.9334 ± 0.0009 Å
• c: 9.6313 ± 0.0006 Å
• α: 90°
• β: 112.269 ± 0.002°
• γ: 90°
• Cell volume: 972.54 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0347
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No