Information card for entry 2012154

Structure parameters

• Chemical name: Diisopropylammonium hydrogen difluoroide
• Formula: C6 H17 F2 N
• Calculated formula: C6 H17 F2 N
• SMILES: [NH2+](C(C)C)C(C)C.[F][H][F-]
• Title of publication: Diisopropylammonium hydrogen difluoride
• Authors of publication: Reiss, Guido J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 994 - 995
• a: 7.726 ± 0.002 Å
• b: 8.057 ± 0.003 Å
• c: 14.352 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 893.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes