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Information card for entry 1558804
Preview
| Coordinates | 1558804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H74.63 Fe K N2 O7.5 Si |
|---|---|
| Calculated formula | C44 H74.626 Fe K N2 O7.5 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 | 12.7212 ± 0.0004 Å |
| b | 13.5703 ± 0.0004 Å |
| c | 14.5849 ± 0.0005 Å |
| α | 73.777 ± 0.002° |
| β | 85.65 ± 0.003° |
| γ | 86.169 ± 0.002° |
| Cell volume | 2407.84 ± 0.14 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1558804.cif |
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Users of the data should acknowledge the original authors of the
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