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Information card for entry 4126241
Preview
| Coordinates | 4126241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H42.5 Br0.5 Cl0.5 Mo N4.5 |
|---|---|
| Calculated formula | C32 H42.5 Br0.5 Cl0.5 Mo N4.5 |
| 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 | 25.126 ± 0.004 Å |
| b | 18.28 ± 0.003 Å |
| c | 15.476 ± 0.003 Å |
| α | 90° |
| β | 118.422 ± 0.004° |
| γ | 90° |
| Cell volume | 6251.4 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0881 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| 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 |
|---|---|---|---|
| 198171 (current) | 2017-06-28 | cif/ Adding structures of 4126241, 4126242, 4126243 via cif-deposit CGI script. |
4126241.cif |
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