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Information card for entry 7112325
Preview
| Coordinates | 7112325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H8 Fe2 O8 S3 |
|---|---|
| Calculated formula | C11 H8 Fe2 O8 S3 |
| SMILES | C([Fe]12(C#[O])(C#[O])C(=[S][Fe]1(C#[O])(C#[O])(C#[O])[S]2CC(=O)OC)SC)#[O] |
| Title of publication | Syntheses and crystal structures of neutral tetrairon complexes with the unique SCPPh2S ligand. |
| Authors of publication | Shi, Yao-Cheng; Gu, Fei |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 22 |
| Pages of publication | 2255 - 2257 |
| a | 7.9461 ± 0.0011 Å |
| b | 8.1411 ± 0.0012 Å |
| c | 14.798 ± 0.002 Å |
| α | 98.041 ± 0.002° |
| β | 101.942 ± 0.002° |
| γ | 104.491 ± 0.003° |
| Cell volume | 888 ± 0.2 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7108915 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.