Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242190
Preview
| Coordinates | 7242190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Br6 Fe N6 Se2 |
|---|---|
| Calculated formula | C24 H18 Br6 Fe N6 Se2 |
| Title of publication | Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine |
| Authors of publication | Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 15 |
| Pages of publication | 4909 |
| a | 16.7183 ± 0.001 Å |
| b | 11.0655 ± 0.0006 Å |
| c | 11.7733 ± 0.0007 Å |
| α | 90° |
| β | 127.456 ± 0.002° |
| γ | 90° |
| Cell volume | 1728.96 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0982 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.1799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261270 (current) | 2021-01-27 | cif/ Adding structures of 7242184, 7242185, 7242186, 7242187, 7242188, 7242189, 7242190 via cif-deposit CGI script. |
7242190.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.