Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2000558
Preview
| Coordinates | 2000558.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C7 H14 N4 O2 |
|---|---|
| Calculated formula | C7 H14 N4 O2 |
| Title of publication | Structure of a bicyclic guanidinium nitrite salt |
| Authors of publication | Meetsma, A.; van Aken, E.; Wynberg, H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 10 |
| Pages of publication | 1874 - 1876 |
| a | 6.657 ± 0.001 Å |
| b | 8.742 ± 0.001 Å |
| c | 15.894 ± 0.001 Å |
| α | 90° |
| β | 101.23 ± 0.01° |
| γ | 90° |
| Cell volume | 907.25 ± 0.18 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.035 |
| Goodness-of-fit parameter for significantly intense reflections | 1.816 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | X-rayMoKalphamean |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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.