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Information card for entry 4124417
Preview
| Coordinates | 4124417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H74 B Fe N8 |
|---|---|
| Calculated formula | C56 H74 B Fe N8 |
| Title of publication | A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field. |
| Authors of publication | McSkimming, Alex; Harman, W. Hill |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 28 |
| Pages of publication | 8940 - 8943 |
| a | 11.5211 ± 0.0008 Å |
| b | 18.3093 ± 0.0013 Å |
| c | 23.3063 ± 0.0016 Å |
| α | 90° |
| β | 92.1689 ± 0.0012° |
| γ | 90° |
| Cell volume | 4912.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154290 (current) | 2015-09-04 | cif/ Adding structures of 4124417, 4124418 via cif-deposit CGI script. |
4124417.cif |
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Users of the data should acknowledge the original authors of the
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