Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104645
Preview
| Coordinates | 8104645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(theophyllinium) hexachloridostannate(IV) |
|---|---|
| Formula | C14 H18 Cl6 N8 O4 Sn |
| Calculated formula | C14 H18 Cl6 N8 O4 Sn |
| Title of publication | The layered crystal structure of bis(theophyllinium) hexachloridostannate (IV), C14H18N8O8SnCl6 |
| Authors of publication | Reiss, Guido J.; Wyshusek, Maik |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 989 - 992 |
| a | 8.181 ± 0.0002 Å |
| b | 12.6195 ± 0.0003 Å |
| c | 11.3811 ± 0.0002 Å |
| α | 90° |
| β | 90.258 ± 0.002° |
| γ | 90° |
| Cell volume | 1174.97 ± 0.05 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0507 |
| Weighted residual factors for all reflections included in the refinement | 0.062 |
| 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 |
|---|---|---|---|
| 273473 (current) | 2022-03-07 | cif/ Adding structures of 8104645 via cif-deposit CGI script. |
8104645.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.