Information card for entry 4301270

Structure parameters

• Formula: C12 H22 B12 Cl12 N4
• Calculated formula: C12 H22 B12 Cl12 N4
• SMILES: [B]1234([B]567([B]891(Cl)[B]1%105([B]5%11%12([B]%13%14%15([B]%162([B]236([B]7%10%11([B]%12%15%162Cl)Cl)Cl)([B]49%14([B]815%13Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.C[n+]1cn(cc1)CC.C[n+]1cn(cc1)CC
• Title of publication: Ionic Liquids Containing Boron Cluster Anions
• Authors of publication: Mark Nieuwenhuyzen; Kenneth R. Seddon; Francesc Teixidor; Alberto V. Puga; Clara Viñas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 889 - 901
• a: 9.3744 ± 0.0013 Å
• b: 9.6448 ± 0.0014 Å
• c: 9.9629 ± 0.0014 Å
• α: 105.12 ± 0.002°
• β: 104.023 ± 0.002°
• γ: 102.275 ± 0.002°
• Cell volume: 806.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No