Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022684
Preview
| Coordinates | 2022684.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(1,2,3-tribromocyclopentadienyl)iron(II) |
|---|---|
| Formula | C10 H4.04 Br5.96 Fe |
| Calculated formula | C10 H4.036 Br5.964 Fe |
| Title of publication | Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe] |
| Authors of publication | Blockhaus, Tobias; Sünkel, Karlheinz |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 11 |
| a | 7.0903 ± 0.0003 Å |
| b | 7.4318 ± 0.0005 Å |
| c | 13.8071 ± 0.0005 Å |
| α | 88.745 ± 0.004° |
| β | 84.993 ± 0.003° |
| γ | 77.728 ± 0.004° |
| Cell volume | 708.21 ± 0.06 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0622 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278580 (current) | 2022-10-14 | cif/ hkl/ Adding structures of 2022684, 2022685, 2022686 via cif-deposit CGI script. |
2022684.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.