Information card for entry 4515941

Structure parameters

• Formula: C14 H38 B10 N4 O2
• Calculated formula: C14 H38 B10 N4 O2
• SMILES: O(C(=O)C)[B]12[BH]345[BH]678[BH]9%103[BH]3%116[BH]%10([BH]259)[BH]3[BH]8%11[BH]147.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: 9.553 ± 0.0007 Å
• b: 28.914 ± 0.002 Å
• c: 9.7711 ± 0.0007 Å
• α: 90°
• β: 116.859 ± 0.004°
• γ: 90°
• Cell volume: 2407.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1342
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No