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Information card for entry 2012162
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| Coordinates | 2012162.cif |
|---|---|
| Structure factors | 2012162.hkl |
| Original IUCr paper | HTML |
| Chemical name | N,N'-Dimethylpiperazinium (2+) phosphonoacetate |
|---|---|
| Formula | C10 H24 N2 O10 P2 |
| Calculated formula | C10 H24 N2 O10 P2 |
| Title of publication | <i>N</i>,<i>N</i>'-Dimethylpiperazinium(2+) phosphonoacetate: hydrogen-bonded anion sheets containing cation-templated <i>R</i>~6~^6^(28) rings |
| Authors of publication | Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | 952 - 954 |
| a | 5.9217 ± 0.0004 Å |
| b | 8.9858 ± 0.0005 Å |
| c | 8.9987 ± 0.0006 Å |
| α | 61.73 ± 0.003° |
| β | 81.885 ± 0.003° |
| γ | 81.448 ± 0.004° |
| Cell volume | 415.65 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0777 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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