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Information card for entry 2108434
Preview
| Coordinates | 2108434.cif |
|---|---|
| Structure factors | 2108434.hkl |
| Original paper (by DOI) | HTML |
| Formula | C2 H6 N4 S |
|---|---|
| Calculated formula | C2 H6 N4 S |
| SMILES | [S-]C#N.[NH2+]=C(N)N |
| Title of publication | Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN |
| Authors of publication | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| a | 6.9149 ± 0.0002 Å |
| b | 7.0012 ± 0.0001 Å |
| c | 12.3713 ± 0.0003 Å |
| α | 90.881 ± 0.001° |
| β | 104.312 ± 0.001° |
| γ | 101.783 ± 0.001° |
| Cell volume | 566.74 ± 0.02 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216135 (current) | 2019-06-20 | cif/ hkl/ Adding structures of 2108434, 2108435, 2108436, 2108437, 2108438 via cif-deposit CGI script. |
2108434.cif 2108434.hkl |
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Users of the data should acknowledge the original authors of the
structural data.