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Information card for entry 4519474
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| Coordinates | 4519474.cif |
|---|---|
| Structure factors | 4519474.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,3-diaminobenzene-1,4-diammonium sulfate |
|---|---|
| Formula | C6 H12 N4 O4 S |
| Calculated formula | C6 H12 N4 O4 S |
| Title of publication | Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines |
| Authors of publication | Johann O. E. Sosoe; Thierry Maris; James D. Wuest |
| Journal of publication | Crystal Growth and Design |
| Year of publication | 2023 |
| Journal volume | 23 |
| Pages of publication | 8865 - 8874 |
| a | 6.4293 ± 0.0004 Å |
| b | 7.6672 ± 0.0005 Å |
| c | 18.4558 ± 0.0012 Å |
| α | 90° |
| β | 93.007 ± 0.003° |
| γ | 90° |
| Cell volume | 908.52 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288085 (current) | 2023-12-06 | cif/ hkl/ Adding structures of 4519474 via cif-deposit CGI script. |
4519474.cif 4519474.hkl |
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