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Information card for entry 4075636
Preview
| Coordinates | 4075636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H19 Fe2 N O4 |
|---|---|
| Calculated formula | C25 H19 Fe2 N O4 |
| SMILES | [Fe]1234([Fe]5678([N]1([C]6(c1ccccc1)=[CH]5C1C[CH]8=[CH]7C2[CH]3=[CH]41)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions† |
| Authors of publication | Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 5 |
| Pages of publication | 933 |
| a | 11.861 ± 0.013 Å |
| b | 13.882 ± 0.015 Å |
| c | 14.882 ± 0.015 Å |
| α | 105.426 ± 0.019° |
| β | 113.33 ± 0.02° |
| γ | 93.96 ± 0.02° |
| Cell volume | 2126 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.221 |
| Residual factor for significantly intense reflections | 0.1111 |
| Weighted residual factors for significantly intense reflections | 0.2482 |
| Weighted residual factors for all reflections included in the refinement | 0.3061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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
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