Information card for entry 7235782

Structure parameters

• Formula: C12 H25 Cl N3 Si2
• Calculated formula: C12 H25 Cl N3 Si2
• 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: 8.954 ± 0.005 Å
• b: 11.908 ± 0.007 Å
• c: 18.248 ± 0.01 Å
• α: 108.424 ± 0.008°
• β: 99.976 ± 0.007°
• γ: 93.421 ± 0.007°
• Cell volume: 1804.4 ± 1.8 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1726
• Residual factor for significantly intense reflections: 0.1061
• Weighted residual factors for significantly intense reflections: 0.2971
• Weighted residual factors for all reflections included in the refinement: 0.3351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No