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Information card for entry 1545497
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| Coordinates | 1545497.cif |
|---|---|
| Structure factors | 1545497.hkl |
| Original IUCr paper | HTML |
| Chemical name | Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate) |
|---|---|
| Formula | C6 H11 N O6 |
| Calculated formula | C6 H11 N O6 |
| Title of publication | Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate) |
| Authors of publication | Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | x170249 |
| a | 7.5446 ± 0.0001 Å |
| b | 7.5446 ± 0.0001 Å |
| c | 27.6498 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1573.85 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193959 (current) | 2017-03-05 | cif/ hkl/ Adding structures of 1545497 via cif-deposit CGI script. |
1545497.cif 1545497.hkl |
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Users of the data should acknowledge the original authors of the
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