Information card for entry 2227044

Structure parameters

• Chemical name: Cyanomethanaminium tetrafluoroborate
• Formula: C2 H5 B F4 N2
• Calculated formula: C2 H5 B F4 N2
• SMILES: [B](F)(F)(F)[F-].[NH3+]CC#N
• Title of publication: Cyanomethanaminium tetrafluoroborate
• Authors of publication: Han, Meng Ting; Zhang, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1941
• a: 9.79 ± 0.002 Å
• b: 10.204 ± 0.002 Å
• c: 11.057 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1104.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.741
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes