Information card for entry 4515939

Structure parameters

• Formula: C12 H34 B12 N4
• Calculated formula: C12 H34 B12 N4
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%1136[BH]364[BH]4%121[BH]125[BH]278[BH]5%121[BH]134[BH]9%116[BH]%10251.n1(c[n+](cc1)C)CC.n1(c[n+](cc1)C)CC
• Title of publication: New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.
• Authors of publication: Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 8491 - 8496
• a: 15.002 ± 0.005 Å
• b: 8.676 ± 0.003 Å
• c: 16.83 ± 0.005 Å
• α: 90°
• β: 91.384 ± 0.004°
• γ: 90°
• Cell volume: 2189.9 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.2098
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No