Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105938
Preview
| Coordinates | 8105938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H24 Cl2 N8 O3 |
|---|---|
| Calculated formula | C8 H24 Cl2 N8 O3 |
| Title of publication | Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride trihydrate, C8H18N8Cl2 ⋅ 3 H2O |
| Authors of publication | Hao, Zhi Jian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 1067 - 1068 |
| a | 17.3812 ± 0.0011 Å |
| b | 7.3688 ± 0.0005 Å |
| c | 14.0744 ± 0.0009 Å |
| α | 90° |
| β | 107.915 ± 0.003° |
| γ | 90° |
| Cell volume | 1715.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278705 (current) | 2022-10-21 | cif/ Adding structures of 8105938 via cif-deposit CGI script. |
8105938.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.