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Information card for entry 4135595
Preview
| Coordinates | 4135595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44.56 H50.56 F6 Fe N8 P |
|---|---|
| Calculated formula | C44.559 H50.559 F6 Fe N8 P |
| Title of publication | Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. |
| Authors of publication | Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2021 |
| Journal volume | 143 |
| Journal issue | 3 |
| Pages of publication | 1458 - 1465 |
| a | 46.429 ± 0.002 Å |
| b | 16.3087 ± 0.0007 Å |
| c | 23.2775 ± 0.0013 Å |
| α | 90° |
| β | 93.67 ± 0.002° |
| γ | 90° |
| Cell volume | 17589.5 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261468 (current) | 2021-02-04 | cif/ Adding structures of 4135594, 4135595, 4135596, 4135597 via cif-deposit CGI script. |
4135595.cif |
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Users of the data should acknowledge the original authors of the
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