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Information card for entry 2022685
Preview
| Coordinates | 2022685.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(1,2,3,4-tetrabromocyclopentadienyl)iron(II) |
|---|---|
| Formula | C10 H2 Br8 Fe |
| Calculated formula | C10 H2 Br8 Fe |
| SMILES | [c]12([c]3([c]4([c]5([cH]1[Fe]16782345[c]2([c]1([c]6([c]7([cH]82)Br)Br)Br)Br)Br)Br)Br)Br |
| 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 | 6.9395 ± 0.0002 Å |
| b | 7.0548 ± 0.0002 Å |
| c | 8.9271 ± 0.0003 Å |
| α | 67.577 ± 0.001° |
| β | 76.16 ± 0.001° |
| γ | 86.461 ± 0.001° |
| Cell volume | 392.06 ± 0.02 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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