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Information card for entry 4129260
Preview
| Coordinates | 4129260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H64 B Mo N P2 |
|---|---|
| Calculated formula | C56 H64 B Mo N P2 |
| Title of publication | Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms. |
| Authors of publication | Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 32 |
| Pages of publication | 11272 - 11275 |
| a | 12.7883 ± 0.0006 Å |
| b | 16.1757 ± 0.0007 Å |
| c | 23.2443 ± 0.001 Å |
| α | 90° |
| β | 101.25 ± 0.002° |
| γ | 90° |
| Cell volume | 4715.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1259 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240024 (current) | 2019-11-25 | cif/ Adding structures of 4129256, 4129257, 4129258, 4129259, 4129260, 4129261 via cif-deposit CGI script. |
4129260.cif |
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Users of the data should acknowledge the original authors of the
structural data.