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Information card for entry 4126242
Preview
| Coordinates | 4126242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H46 F5 Mo N4 O1.5 |
|---|---|
| Calculated formula | C39 H46 F5 Mo N4 O1.5 |
| Title of publication | Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes. |
| Authors of publication | Wickramasinghe, Lasantha A.; Schrock, Richard R.; Müller, Peter; Ogawa, Takaya |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 17.0362 ± 0.0015 Å |
| b | 19.2201 ± 0.0017 Å |
| c | 23.935 ± 0.002 Å |
| α | 96.1815 ± 0.0015° |
| β | 99.3959 ± 0.0015° |
| γ | 90.7841 ± 0.0015° |
| Cell volume | 7683.2 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0964 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198171 (current) | 2017-06-28 | cif/ Adding structures of 4126241, 4126242, 4126243 via cif-deposit CGI script. |
4126242.cif |
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