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Information card for entry 4350204
Preview
| Coordinates | 4350204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Fe(OEP)(1,2-Me2Im)] |
|---|---|
| Formula | C47.76 H59.72 Fe N6 |
| Calculated formula | C47.586 H59.448 Fe N5.931 |
| Title of publication | Electronic configuration of high-spin imidazole-ligated iron(II) octaethylporphyrinates. |
| Authors of publication | Hu, Chuanjiang; An, Jin; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 10 |
| Pages of publication | 4177 - 4185 |
| a | 20.2439 ± 0.0015 Å |
| b | 19.7769 ± 0.0014 Å |
| c | 10.1528 ± 0.0007 Å |
| α | 90° |
| β | 91.651 ± 0.002° |
| γ | 90° |
| Cell volume | 4063.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1556 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239782 (current) | 2019-11-25 | cif/ Adding structures of 4350204 via cif-deposit CGI script. |
4350204.cif |
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