Information card for entry 7235781

Structure parameters

• Formula: C7 H15 B F3 N3 O3 S
• Calculated formula: C7 H15 B F3 N3 O3 S
• Title of publication: N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials
• Authors of publication: Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 39
• Pages of publication: 16507
• a: 8.1663 ± 0.0009 Å
• b: 9.5042 ± 0.001 Å
• c: 9.8518 ± 0.0011 Å
• α: 109.251 ± 0.001°
• β: 93.241 ± 0.001°
• γ: 115.054 ± 0.001°
• Cell volume: 636.53 ± 0.12 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No