Information card for entry 2231063

Structure parameters

• Chemical name: (1,2-Dicarba-<i>closo</i>-dodecaboranyl)trimethylmethanaminium iodide
• Formula: C6 H22 B10 I N
• Calculated formula: C6 H22 B10 I N
• SMILES: [I-].[N+](C[C]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%121[BH]18%10[BH]859[BH]596[BH]23([BH]%12185)[CH]47%119)(C)(C)C
• Title of publication: (1,2-Dicarba-<i>closo</i>-dodecaboranyl)trimethylmethanaminium iodide
• Authors of publication: Lee, Jong-Dae; Han, Won-Sik; Suh, Il-Hwan; Kang, Sang Ook
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2148
• a: 6.7435 ± 0.0014 Å
• b: 25.013 ± 0.005 Å
• c: 18.694 ± 0.004 Å
• α: 90°
• β: 94.8 ± 0.004°
• γ: 90°
• Cell volume: 3142.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes