Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107274
Preview
| Coordinates | 8107274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H5 N3 O3 |
|---|---|
| Calculated formula | C3 H5 N3 O3 |
| SMILES | O=N(=O)[O-].[nH]1c[nH+]cc1 |
| Title of publication | The crystal structure of imidazolium nitrate, C3H5O3N3 |
| Authors of publication | Xiao, Li; Hongxia, Pan; Qiang, Liu; Lei, Gong; Lizhen, Chen; Jianlong, Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 995 - 996 |
| a | 7.2479 ± 0.0002 Å |
| b | 7.2479 ± 0.0002 Å |
| c | 21.6138 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1135.42 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284091 (current) | 2023-05-31 | cif/ Adding structures of 8107274 via cif-deposit CGI script. |
8107274.cif |
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.