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Information card for entry 2241613
Preview
| Coordinates | 2241613.cif |
|---|---|
| Structure factors | 2241613.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-aminoanilinium) hydrogen phosphate |
|---|---|
| Formula | C12 H19 N4 O4 P |
| Calculated formula | C12 H19 N4 O4 P |
| SMILES | c1(ccccc1N)[NH3+].c1(ccccc1N)[NH3+].OP(=O)([O-])[O-] |
| Title of publication | Crystal structure of bis(2-aminoanilinium) hydrogen phosphate |
| Authors of publication | Ittyachan, Reena; Ahigna, Melesuparambil Sundaram; Jagan, Rajamony |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 530 - 533 |
| a | 4.7613 ± 0.0007 Å |
| b | 10.8925 ± 0.0017 Å |
| c | 15.054 ± 0.002 Å |
| α | 107.263 ± 0.003° |
| β | 94.06 ± 0.003° |
| γ | 94.549 ± 0.003° |
| Cell volume | 739.56 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0705 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241613.cif 2241613.hkl |
| 179286 | 2016-03-23 | cif/ hkl/ Adding structures of 2241613 via cif-deposit CGI script. |
2241613.cif 2241613.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.