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Information card for entry 4134760
Preview
| Coordinates | 4134760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H81 Fe2 N8 O P2 |
|---|---|
| Calculated formula | C45 H81 Fe2 N8 O P2 |
| Title of publication | Mimicking the Constrained Geometry of a Nitrogen-Fixation Intermediate. |
| Authors of publication | Liu, Tianchang; Gau, Michael R.; Tomson, Neil C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 9.8631 ± 0.0006 Å |
| b | 13.0959 ± 0.0008 Å |
| c | 20.1607 ± 0.0012 Å |
| α | 91.874 ± 0.002° |
| β | 92.34 ± 0.002° |
| γ | 106.816 ± 0.002° |
| Cell volume | 2487.9 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251028 (current) | 2020-04-22 | cif/ Adding structures of 4134760 via cif-deposit CGI script. |
4134760.cif |
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