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Information card for entry 2008111
Preview
| Coordinates | 2008111.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tricarbonyl(2,3,6,7-η)-(2,3-diylidenfurane)-iron(0) |
|---|---|
| Formula | C9 H6 Fe O4 |
| Calculated formula | C9 H6 Fe O4 |
| SMILES | [Fe]123([C]4(OC=C[C]14=[CH2]2)=[CH2]3)(C#[O])(C#[O])C#[O] |
| Title of publication | Tricarbonyl[(2,3,6,7-η)-2,3-dimethylene-2,3-dihydrofuran]iron(0) at 120K |
| Authors of publication | Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 1 |
| Pages of publication | IUC9800082 |
| a | 12.2502 ± 0.0016 Å |
| b | 6.5155 ± 0.0011 Å |
| c | 12.415 ± 0.002 Å |
| α | 90° |
| β | 108.866 ± 0.011° |
| γ | 90° |
| Cell volume | 937.7 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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