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Information card for entry 2012163
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| Coordinates | 2012163.cif |
|---|---|
| Structure factors | 2012163.hkl |
| Original IUCr paper | HTML |
| Chemical name | Piperazinium(2+) bis(mandelate) bis(methanol) solvate |
|---|---|
| Formula | C22 H34 N2 O8 |
| Calculated formula | C22 H34 N2 O8 |
| Title of publication | Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate |
| 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 | 955 - 957 |
| a | 7.736 ± 0.0002 Å |
| b | 10.2394 ± 0.0004 Å |
| c | 29.7822 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2359.11 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.127 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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