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Information card for entry 2300629
Preview
| Coordinates | 2300629.cif |
|---|---|
| Structure factors | 2300629.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C2 H10 N2 O4 Se |
|---|---|
| Calculated formula | C2 H10 N2 O4 Se |
| SMILES | [Se](=O)(=O)([O-])[O-].[NH3+]CC[NH3+] |
| Title of publication | Double cone of eigendirections in optically active ethylenediammonium selenate crystals |
| Authors of publication | Martin, Alexander T.; Nichols, Shane M.; Li, Sichao; Tan, Melissa; Kahr, Bart |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2017 |
| Journal volume | 50 |
| Journal issue | 4 |
| Pages of publication | 1117 - 1124 |
| a | 6.1352 ± 0.0004 Å |
| b | 6.1352 ± 0.0004 Å |
| c | 18.1726 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 684.03 ± 0.08 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0243 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections included in the refinement | 0.0557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301808 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/30 Each referenced PubChem compound corresponds to the full crystal structure. |
2300629.cif 2300629.hkl |
| 199600 | 2017-08-06 | cif/ Updating files of 2300629 Original log message: Adding full bibliography for 2300629.cif. |
2300629.cif 2300629.hkl |
| 198920 | 2017-07-22 | cif/ hkl/ Adding structures of 2300629 via cif-deposit CGI script. |
2300629.cif 2300629.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.