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Information card for entry 2006583
Preview
| Coordinates | 2006583.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H30 N4 O12 |
|---|---|
| Calculated formula | C18 H30 N4 O12 |
| Title of publication | The Chelating Agent <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Triethylenetetraminehexacetic Acid (TTHA) |
| Authors of publication | Finnen, Daniel C.; Pinkerton, A. Alan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 1455 - 1457 |
| a | 8.528 ± 0.002 Å |
| b | 11.565 ± 0.002 Å |
| c | 11.993 ± 0.003 Å |
| α | 71.34 ± 0.02° |
| β | 74.77 ± 0.02° |
| γ | 79.26 ± 0.02° |
| Cell volume | 1074.5 ± 0.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.105 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Goodness-of-fit parameter for significantly intense reflections | 1.39 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.