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Information card for entry 2200806
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| Coordinates | 2200806.cif |
|---|---|
| Structure factors | 2200806.hkl |
| Original IUCr paper | HTML |
| Common name | Bis-Tris |
|---|---|
| Formula | C8 H19 N O5 |
| Calculated formula | C8 H19 N O5 |
| SMILES | N(C(CO)(CO)CO)(CCO)CCO |
| Title of publication | [Bis(2-hydroxyethyl)amino]tris(hydroxymethyl)methane (Bis–Tris), an important complexing agent |
| Authors of publication | Nicholson, Kirsten N.; Twamley, Brendan; Wood, Scott |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | o1133 - o1135 |
| a | 12.1298 ± 0.0017 Å |
| b | 9.5303 ± 0.0013 Å |
| c | 17.144 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1981.9 ± 0.5 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.043 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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