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Information card for entry 2013052
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| Coordinates | 2013052.cif |
|---|---|
| Structure factors | 2013052.hkl |
| Original IUCr paper | HTML |
| Common name | glycine trifluoroacetate |
|---|---|
| Chemical name | Glycinium trifluoroacetate |
| Formula | C4 H6 F3 N O4 |
| Calculated formula | C4 H6 F3 N O4 |
| Title of publication | Glycinium 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 | 2002 |
| Journal volume | 58 |
| Journal issue | 11 |
| Pages of publication | o658 - o660 |
| a | 4.9598 ± 0.0006 Å |
| b | 12.239 ± 0.002 Å |
| c | 12.015 ± 0.008 Å |
| α | 90° |
| β | 106.67 ± 0.07° |
| γ | 90° |
| Cell volume | 698.7 ± 0.5 Å3 |
| 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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