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Information card for entry 2005586
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| Coordinates | 2005586.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | potassium hydrogen bis(phosphoenolpyruvate) |
|---|---|
| Formula | C6 H9 K O12 P2 |
| Calculated formula | C6 H9 K O12 P2 |
| Title of publication | Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~ |
| Authors of publication | Lis, T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2720 - 2724 |
| a | 11.927 ± 0.007 Å |
| b | 6.803 ± 0.004 Å |
| c | 17.215 ± 0.011 Å |
| α | 90° |
| β | 101.91 ± 0.05° |
| γ | 90° |
| Cell volume | 1366.7 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for all reflections | 0.1086 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Goodness-of-fit parameter for all reflections | 1.011 |
| Goodness-of-fit parameter for significantly intense reflections | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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