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Information card for entry 1558803
Preview
| Coordinates | 1558803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H38 Fe N2 Si |
|---|---|
| Calculated formula | C26 H38 Fe N2 Si |
| Title of publication | The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction |
| Authors of publication | Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 7.46458 ± 0.00013 Å |
| b | 17.4351 ± 0.0003 Å |
| c | 10.11223 ± 0.00013 Å |
| α | 90° |
| β | 99.0427 ± 0.0014° |
| γ | 90° |
| Cell volume | 1299.71 ± 0.04 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255148 (current) | 2020-08-07 | cif/ Adding structures of 1558803, 1558804, 1558805 via cif-deposit CGI script. |
1558803.cif |
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Users of the data should acknowledge the original authors of the
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