Information card for entry 2239208

Structure parameters

• Chemical name: Tetraethylammonium 7,12-dicyano-1-carba-<i>closo</i>-dodecaborate
• Formula: C11 H30 B11 N3
• Calculated formula: C11 H30 B11 N3
• SMILES: [N+](CC)(CC)(CC)CC.N#C[B]1234[BH]567[BH]892[CH]2%10%11[BH]%1218[BH]18%10[BH]%10%132[BH]25([BH]58%10[BH]3%121[B]4725C#N)[BH]69%11%13
• Title of publication: Tetraethylammonium 7,12-dicyano-1-carba-<i>closo</i>-dodecaborate
• Authors of publication: Juhasz, Marcus A.; Juers, Douglas H.; Dwulet, Gregory E.; Rosenbaum, Aaron J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o411 - o412
• a: 8.928 ± 0.0002 Å
• b: 10.5695 ± 0.0003 Å
• c: 21.062 ± 0.0005 Å
• α: 90°
• β: 92.165 ± 0.002°
• γ: 90°
• Cell volume: 1986.09 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes