Information card for entry 7120294

Structure parameters

• Chemical name: exo-6,exo-9 bis(1-ethylimidazole) nido-decaboran
• Formula: C10 H28 B10 N4
• Calculated formula: C10 H28 B10 N4
• SMILES: [BH]1234[BH]567[BH]891[BH]1%10([BH]58[n]5cn(cc5)CC)[BH]529[BH]21([BH]135[BH]47([H]6)[BH]21[n]1cn(cc1)CC)[H]%10
• Title of publication: Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane
• Authors of publication: Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.0069 ± 0.0008 Å
• b: 13.2066 ± 0.001 Å
• c: 14.6031 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1929.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No