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Information card for entry 1543442
Preview
| Coordinates | 1543442.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 007-14177 |
|---|---|
| Formula | C69 H89 Fe3 N8 |
| Calculated formula | C69 H89 Fe3 N8 |
| Title of publication | Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia |
| Authors of publication | MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 5736 |
| a | 25.7232 ± 0.0018 Å |
| b | 12.6083 ± 0.0004 Å |
| c | 38.521 ± 0.004 Å |
| α | 90° |
| β | 92.547 ± 0.009° |
| γ | 90° |
| Cell volume | 12481 ± 1.6 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.113 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.1807 |
| Weighted residual factors for all reflections included in the refinement | 0.218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186326 (current) | 2016-09-10 | cif/ Updating files of 1543441, 1543442, 1543443, 1543444, 1543445, 1543446, 1543447 Original log message: Adding full bibliography for 1543441--1543447.cif. |
1543442.cif |
| 183502 | 2016-06-16 | cif/ Adding structures of 1543441, 1543442, 1543443, 1543444, 1543445, 1543446, 1543447 via cif-deposit CGI script. |
1543442.cif |
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Users of the data should acknowledge the original authors of the
structural data.