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Information card for entry 4126290
Preview
| Coordinates | 4126290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [FeTFPP][Ph2C] |
|---|---|
| Formula | C66 H27 F20 Fe N4 |
| Calculated formula | C66 H27 F20 Fe N4 |
| Title of publication | The Electronic Configuration and Ligand Nature of Five Coordinate Iron Porphyrin Carbene Complexes: An Experimental Study. |
| Authors of publication | Liu, Yulong; Xu, Wei; Zhang, Jing; Fuller, William; Schulz, Charles E.; Li, Jianfeng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 14.4645 ± 0.0009 Å |
| b | 16.4098 ± 0.0009 Å |
| c | 23.5118 ± 0.0015 Å |
| α | 90° |
| β | 107.508 ± 0.002° |
| γ | 90° |
| Cell volume | 5322.2 ± 0.6 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198957 (current) | 2017-07-25 | cif/ Adding structures of 4126290 via cif-deposit CGI script. |
4126290.cif |
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