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Information card for entry 2103864
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| Coordinates | 2103864.cif |
|---|---|
| Structure factors | 2103864.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,6-Dimethylpiperazine‒phosphonopropionic acid‒methanol (1/2/0.34) |
|---|---|
| Formula | C12.34 H28 N2 O10.34 P2 |
| Calculated formula | C12.337 H29.348 N2 O10.337 P2 |
| Title of publication | Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines |
| Authors of publication | Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 2 |
| Pages of publication | 248 - 262 |
| a | 20.2229 ± 0.0017 Å |
| b | 8.6162 ± 0.0006 Å |
| c | 11.8812 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2070.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1535 |
| Weighted residual factors for all reflections included in the refinement | 0.1684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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