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Information card for entry 4075637
Preview
| Coordinates | 4075637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H28 Fe2 N O5.5 |
|---|---|
| Calculated formula | C30 H26 Fe2 N O5.5 |
| SMILES | [Fe]123([Fe]456([N](=C(c7ccc(cc7)C)C7C5[CH]3=[CH]2C1[CH]4=[CH]6C7)c1ccc(cc1)C)(C#[O])C#[O])(C#[O])(C#[O])C#[O].O(CC)CC |
| 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 | 17.4782 ± 0.001 Å |
| b | 13.3877 ± 0.0007 Å |
| c | 25.9087 ± 0.0015 Å |
| α | 90° |
| β | 100.353 ± 0.001° |
| γ | 90° |
| Cell volume | 5963.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2163 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.1765 |
| Weighted residual factors for all reflections included in the refinement | 0.2252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
| 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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structural data.