Information card for entry 2012052

Structure parameters

• Common name: betainium trifluoroacetate
• Chemical name: N,N,N-trimethylglycinium-trifluoroacetate
• Formula: C7 H12 F3 N O4
• Calculated formula: C7 H12 F3 N O4
• Title of publication: Betainium trifluoroacetate
• Authors of publication: Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 761 - 763
• a: 6.088 ± 0.002 Å
• b: 11.9486 ± 0.0015 Å
• c: 15.022 ± 0.012 Å
• α: 90°
• β: 107.54 ± 0.04°
• γ: 90°
• Cell volume: 1041.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes