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Information card for entry 4135594
Preview
| Coordinates | 4135594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H51 F6 Fe N10 P |
|---|---|
| Calculated formula | C45 H51 F6 Fe N10 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 | 12.902 ± 0.001 Å |
| b | 18.4951 ± 0.0014 Å |
| c | 19.1223 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4563 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
4135594.cif |
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Users of the data should acknowledge the original authors of the
structural data.