Information card for entry 7011111

Structure parameters

• Chemical name: 1-butyl-3-methylimidazolium tetraphenylborate
• Formula: C32 H35 B N2
• Calculated formula: C32 H35 B N2
• Title of publication: Biphasic hydroformylation in new molten salts—analogies and differences to organic solvents
• Authors of publication: Oleg Stenzel; Helgard G. Raubenheimer; Catharine Esterhuysen
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1132 - 1138
• a: 8.834 ± 0.001 Å
• b: 17.007 ± 0.001 Å
• c: 17.875 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2685.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No