Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108437
Preview
| Coordinates | 2108437.cif |
|---|---|
| Structure factors | 2108437.hkl |
| Original paper (by DOI) | HTML |
| Formula | C6 H8 N10 |
|---|---|
| Calculated formula | C6 H8 N10 |
| SMILES | n1c(nc(N)nc1c1nc(N)nc(N)n1)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 | 6.032 ± 0.0012 Å |
| b | 7.796 ± 0.0016 Å |
| c | 10.531 ± 0.002 Å |
| α | 90° |
| β | 105.9 ± 0.03° |
| γ | 90° |
| Cell volume | 476.28 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 3 |
| 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 | 0.1324 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| 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. |
2108437.cif 2108437.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.