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Information card for entry 4075638
Preview
| Coordinates | 4075638.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H25 Cl2 Fe2 N O4 |
|---|---|
| Calculated formula | C28 H25 Cl2 Fe2 N O4 |
| SMILES | [Fe]12345([Fe]6789([N]1([C]2(c1ccc(cc1)C)=[CH]5C1CC4[CH]37C6[CH]9=[CH]81)c1ccc(cc1)C)(C#[O])C#[O])(C#[O])C#[O].C(Cl)Cl |
| 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 | 10.4699 ± 0.001 Å |
| b | 23.469 ± 0.002 Å |
| c | 23.67 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5816.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1672 |
| Residual factor for significantly intense reflections | 0.0741 |
| Weighted residual factors for significantly intense reflections | 0.1653 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| 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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