Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106382
Preview
| Coordinates | 8106382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H6 Br F O2 S |
|---|---|
| Calculated formula | C8 H6 Br F O2 S |
| Title of publication | Crystal structure of guanidinium tetrapropylammonium bis(hydrogencarbonate) dihydrate, C15H40N4O8 |
| Authors of publication | Zeng, Huahui; Shen, Qianjin; Wu, Xiangxiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 6 |
| Pages of publication | 1015 - 1017 |
| a | 4.7846 ± 0.0002 Å |
| b | 9.6099 ± 0.0004 Å |
| c | 10.326 ± 0.0004 Å |
| α | 90° |
| β | 103.137 ± 0.001° |
| γ | 90° |
| Cell volume | 462.36 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0494 |
| Weighted residual factors for all reflections included in the refinement | 0.0502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279857 (current) | 2022-12-13 | cif/ Adding structures of 8106382 via cif-deposit CGI script. |
8106382.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.