Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4349510
Preview
| Coordinates | 4349510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H15 I9 N6 Sb2 |
|---|---|
| Calculated formula | C8.97 H14.85 I9 N6 Sb2 |
| Title of publication | Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs |
| Authors of publication | Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M. |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 1306 |
| a | 9.3526 ± 0.0009 Å |
| b | 9.3526 ± 0.0009 Å |
| c | 22.285 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1688.1 ± 0.3 Å3 |
| Cell temperature | 445 ± 2 K |
| Ambient diffraction temperature | 445 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.153 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1752 |
| Weighted residual factors for all reflections included in the refinement | 0.2337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234841 (current) | 2019-11-23 | cif/ Adding structures of 4349510, 4349511, 4349512, 4349513 via cif-deposit CGI script. |
4349510.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.